data_2lvz_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 2lvz _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo . . . . . 0 CA--C 1.576 2.621 0 N-CA-C 115.263 1.217 . . . . 0.0 115.263 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -53.37 -33.15 65.18 Favored 'Trans proline' 0 C--O 1.288 2.992 1 C-N-CA 128.119 5.879 . . . . 0.0 112.139 -168.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -128.73 1.99 5.46 Favored 'General case' 0 CA--C 1.616 3.513 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -173.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -160.57 170.34 21.08 Favored 'General case' 0 C--N 1.359 0.982 0 O-C-N 117.912 -2.993 . . . . 0.0 111.712 -174.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.0 p -68.3 165.97 17.47 Favored 'General case' 0 C--N 1.291 -1.944 0 O-C-N 126.491 2.369 . . . . 0.0 111.828 161.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -60.71 -56.83 16.54 Favored 'General case' 0 C--N 1.37 1.477 0 O-C-N 119.483 -2.011 . . . . 0.0 107.439 172.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.62 -39.62 68.11 Favored 'General case' 0 CA--C 1.592 2.566 0 N-CA-C 115.749 1.759 . . . . 0.0 115.749 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -68.41 -43.65 76.75 Favored 'General case' 0 N--CA 1.508 2.471 0 C-N-CA 118.314 -1.354 . . . . 0.0 110.663 174.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.25 51.5 t-105 -59.81 -41.54 91.48 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-O 122.346 1.07 . . . . 0.0 109.192 -177.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -57.39 -40.3 77.95 Favored 'General case' 0 C--O 1.265 1.873 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 171.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.57 -50.45 51.64 Favored 'General case' 0 CA--C 1.561 1.381 0 C-N-CA 127.19 2.196 . . . . 0.0 110.552 175.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.4 mt -56.61 -30.52 32.13 Favored 'Isoleucine or valine' 0 C--O 1.26 1.618 0 CA-C-O 113.449 -3.167 . . . . 0.0 110.267 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -86.63 -42.67 13.25 Favored 'General case' 0 N--CA 1.397 -3.114 0 C-N-CA 131.381 3.872 . . . . 0.0 106.952 -178.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -132.73 -7.21 3.19 Favored 'General case' 0 C--N 1.403 2.927 0 N-CA-C 116.937 2.199 . . . . 0.0 116.937 -158.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.5 mm -119.82 112.15 35.72 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.241 0 CA-C-N 121.947 2.158 . . . . 0.0 106.86 -173.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.1 m -158.29 90.27 1.03 Allowed 'General case' 1 N--CA 1.551 4.591 0 N-CA-C 104.78 -2.304 . . . . 0.0 104.78 -152.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.0 tp -71.02 -32.98 69.9 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-O 115.945 -1.979 . . . . 0.0 111.943 -174.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -147.95 69.67 10.98 Favored Pre-proline 0 C--N 1.279 -2.494 0 C-N-CA 125.673 1.589 . . . . 0.0 107.764 -173.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -69.55 167.12 25.09 Favored 'Trans proline' 0 N--CA 1.501 1.966 0 C-N-CA 122.4 2.066 . . . . 0.0 113.687 -172.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -80.06 173.14 13.02 Favored 'Trans proline' 0 C--O 1.21 -0.89 0 C-N-CA 122.881 2.387 . . . . 0.0 114.626 155.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.4 mmt85 -65.53 146.07 55.31 Favored 'General case' 0 CA--C 1.583 2.215 0 C-N-CA 128.844 2.857 . . . . 0.0 110.442 172.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.521 ' SG ' ' HA ' ' A' ' 100' ' ' ASP . 35.5 m -43.23 -43.98 5.04 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 129.085 2.954 . . . . 0.0 116.958 -173.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.6 p -51.04 -29.15 11.89 Favored 'General case' 0 N--CA 1.519 3.016 0 C-N-CA 127.282 2.233 . . . . 0.0 116.236 172.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 mm -91.22 -49.56 13.31 Favored 'Isoleucine or valine' 0 C--N 1.379 1.89 0 C-N-CA 128.568 2.747 . . . . 0.0 112.753 167.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.29 -36.03 74.83 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 125.424 1.703 . . . . 0.0 112.85 -169.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.452 ' HE1' ' CE1' ' A' ' 98' ' ' TYR . 42.1 mmm -58.92 -32.29 69.42 Favored 'General case' 0 CA--C 1.572 1.805 0 C-N-CA 128.05 2.54 . . . . 0.0 114.635 177.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.3 35.1 mtt180 -51.37 -27.89 11.1 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 127.163 2.185 . . . . 0.0 115.906 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.87 -3.0 2.94 Favored 'General case' 0 N--CA 1.421 -1.877 0 N-CA-C 117.374 2.361 . . . . 0.0 117.374 176.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.4 pt -143.96 -39.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.386 2.158 0 O-C-N 120.362 -1.461 . . . . 0.0 111.571 165.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -69.23 -27.48 65.51 Favored 'General case' 0 CA--C 1.561 1.4 0 O-C-N 117.786 -3.072 . . . . 0.0 112.641 -171.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -97.55 23.55 7.6 Favored 'General case' 0 N--CA 1.529 3.522 0 C-N-CA 127.038 2.135 . . . . 0.0 112.488 167.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -134.06 -20.35 1.94 Allowed 'General case' 0 CA--C 1.577 2.006 0 O-C-N 124.701 1.251 . . . . 0.0 114.27 173.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -108.65 155.6 20.51 Favored 'General case' 0 CA--C 1.484 -1.57 0 C-N-CA 128.169 2.587 . . . . 0.0 113.592 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -18.06 42.04 Favored 'General case' 0 C--O 1.265 1.872 0 N-CA-C 119.916 3.302 . . . . 0.0 119.916 -166.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -139.86 157.38 45.81 Favored 'General case' 0 N--CA 1.489 1.49 1 C-N-CA 132.232 4.213 . . . . 0.0 113.211 173.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 78.8 m -58.39 120.61 9.07 Favored 'General case' 0 N--CA 1.412 -2.346 0 N-CA-C 117.306 2.336 . . . . 0.0 117.306 159.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -77.64 133.52 38.39 Favored 'General case' 0 C--N 1.367 1.358 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 162.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . 0.266 9.1 t-20 -57.29 -42.1 81.08 Favored 'General case' 0 C--N 1.28 -2.447 0 C-N-CA 126.69 1.996 . . . . 0.0 113.051 -175.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -138.1 141.16 40.23 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 117.871 -3.018 . . . . 0.0 104.785 -163.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -148.64 163.25 37.83 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 116.898 2.184 . . . . 0.0 116.898 161.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.2 m -135.36 135.64 40.87 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 122.9 1.333 . . . . 0.0 109.295 -166.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -143.28 93.95 2.55 Favored 'General case' 0 C--O 1.262 1.726 0 CA-C-O 124.519 2.104 . . . . 0.0 106.783 -160.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.3 mt -71.22 116.93 12.1 Favored 'General case' 1 CA--C 1.631 4.067 0 O-C-N 117.86 -3.025 . . . . 0.0 116.984 -178.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -70.54 62.66 0.25 Allowed 'General case' 0 CA--C 1.581 2.167 0 CA-C-O 124.267 1.984 . . . . 0.0 108.263 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.1 t -138.94 166.84 23.42 Favored 'General case' 0 N--CA 1.525 3.316 0 C-N-CA 125.609 1.564 . . . . 0.0 113.488 172.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . 0.325 10.1 p -84.09 137.77 33.39 Favored 'General case' 0 N--CA 1.519 2.987 1 C-N-CA 132.731 4.412 . . . . 0.0 117.364 174.574 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -57.46 -33.42 67.95 Favored 'General case' 0 C--N 1.38 1.907 0 N-CA-C 117.816 2.524 . . . . 0.0 117.816 -177.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.77 -43.99 27.95 Favored 'General case' 0 N--CA 1.446 -0.656 1 CA-C-O 111.528 -4.082 . . . . 0.0 115.591 172.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -62.94 -43.57 98.42 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 127.304 2.877 . . . . 0.0 111.145 171.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . 0.294 2.7 t -66.79 -37.84 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 CA-C-N 113.842 -1.526 . . . . 0.0 109.317 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 42.5 t -62.43 -32.87 56.55 Favored 'Isoleucine or valine' 0 C--O 1.256 1.447 0 N-CA-C 117.617 2.451 . . . . 0.0 117.617 169.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -67.39 -33.78 75.9 Favored 'General case' 0 C--O 1.202 -1.415 0 CA-C-O 116.003 -1.951 . . . . 0.0 110.123 168.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 51.8 t -75.3 -21.38 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.4 -2.945 0 CA-C-N 123.388 2.813 . . . . 0.0 110.57 -176.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 55.2 m -86.96 25.5 1.3 Allowed 'General case' 0 N--CA 1.4 -2.933 0 C-N-CA 125.555 1.542 . . . . 0.0 113.204 162.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.35 14.19 2.99 Favored Glycine 0 CA--C 1.545 1.961 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 163.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -79.72 171.19 15.46 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 120.674 2.237 . . . . 0.0 105.33 170.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -53.53 137.9 35.31 Favored 'General case' 0 C--O 1.283 2.866 0 O-C-N 126.347 2.279 . . . . 0.0 112.489 173.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 62.3 m -69.18 124.57 24.15 Favored 'General case' 0 N--CA 1.532 3.644 0 CA-C-O 123.204 1.478 . . . . 0.0 114.853 175.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.6 pt -118.73 -168.15 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.36 0 CA-C-O 123.012 1.386 . . . . 0.0 107.44 169.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -140.02 158.33 44.24 Favored 'General case' 0 C--N 1.371 1.53 0 N-CA-C 115.678 1.733 . . . . 0.0 115.678 177.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 49.0 m -128.24 169.44 12.69 Favored Pre-proline 0 C--N 1.391 2.406 0 O-C-N 119.65 -1.906 . . . . 0.0 109.657 -163.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -51.4 -38.93 64.2 Favored 'Trans proline' 0 N--CA 1.491 1.331 1 C-N-CA 127.015 5.143 . . . . 0.0 113.623 -177.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -134.67 71.31 1.44 Allowed 'General case' 0 C--N 1.386 2.182 0 N-CA-C 104.571 -2.381 . . . . 0.0 104.571 -166.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -142.48 3.64 1.51 Allowed 'General case' 0 CA--C 1.559 1.326 0 C-N-CA 125.061 1.344 . . . . 0.0 114.598 -157.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -64.51 -23.52 67.3 Favored 'General case' 0 CA--C 1.574 1.866 0 O-C-N 118.75 -2.469 . . . . 0.0 116.267 -172.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 48.3 p -80.63 7.2 10.63 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 124.091 0.869 . . . . 0.0 112.025 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.321 1.9 pt? -143.24 -20.74 0.62 Allowed 'General case' 0 CA--C 1.618 3.58 0 C-N-CA 117.962 -1.495 . . . . 0.0 112.198 164.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.3 t30 39.63 40.78 0.68 Allowed 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 120.162 3.393 . . . . 0.0 120.162 -159.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -152.85 121.38 6.37 Favored 'General case' 0 N--CA 1.408 -2.556 0 C-N-CA 126.949 2.1 . . . . 0.0 107.706 -170.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 31.2 p -147.18 174.13 11.88 Favored 'General case' 0 CA--C 1.568 1.635 1 C-N-CA 134.087 4.955 . . . . 0.0 109.502 169.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -151.41 155.69 39.15 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -113.93 154.44 27.56 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 125.277 1.611 . . . . 0.0 106.778 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.1 p -71.38 140.94 50.34 Favored 'General case' 0 N--CA 1.384 -3.738 0 O-C-N 128.323 3.514 . . . . 0.0 110.839 -178.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -80.26 -21.61 42.57 Favored 'General case' 0 C--O 1.283 2.857 0 CA-C-O 115.742 -2.075 . . . . 0.0 112.295 -173.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -141.67 167.91 21.03 Favored 'General case' 0 C--O 1.277 2.544 0 N-CA-C 105.033 -2.21 . . . . 0.0 105.033 172.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -75.4 154.75 36.98 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 117.741 -3.1 . . . . 0.0 111.874 -171.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.8 m -135.51 153.28 77.59 Favored Pre-proline 0 C--O 1.274 2.36 0 CA-C-O 118.795 -0.622 . . . . 0.0 111.542 166.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . 0.252 61.2 Cg_endo -62.98 168.03 11.27 Favored 'Trans proline' 0 CA--C 1.546 1.125 0 C-N-CA 124.315 3.343 . . . . 0.0 110.347 170.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -163.05 -177.83 5.68 Favored 'General case' 0 C--O 1.186 -2.246 1 O-C-N 112.245 -6.534 . . . . 0.0 117.638 174.174 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.5 tp -137.9 148.36 45.26 Favored 'General case' 0 C--O 1.194 -1.83 0 CA-C-N 112.978 -1.919 . . . . 0.0 112.347 167.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . 0.265 12.2 t60 -125.88 150.3 48.01 Favored 'General case' 0 C--O 1.263 1.799 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 173.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 77.9 m -131.09 153.61 49.14 Favored 'General case' 0 C--O 1.25 1.088 0 C-N-CA 127.05 2.14 . . . . 0.0 109.439 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -145.64 109.52 4.82 Favored 'General case' 0 CA--C 1.602 2.947 0 C-N-CA 128.541 2.736 . . . . 0.0 113.161 -161.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 16.6 tp -65.27 104.67 0.97 Allowed 'General case' 0 CA--C 1.569 1.701 0 C-N-CA 126.419 1.888 . . . . 0.0 110.818 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.301 0.3 OUTLIER -74.44 -13.2 15.53 Favored 'Isoleucine or valine' 0 C--N 1.395 2.579 0 O-C-N 119.337 -2.102 . . . . 0.0 114.674 -162.732 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -140.4 97.76 7.48 Favored Pre-proline 0 C--N 1.37 1.489 0 C-N-CA 129.023 2.929 . . . . 0.0 107.277 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -48.85 -9.5 0.09 OUTLIER 'Trans proline' 0 N--CA 1.498 1.792 1 C-N-CA 128.851 6.368 . . . . 0.0 115.927 172.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -88.56 -15.83 59.47 Favored Glycine 1 CA--C 1.579 4.063 0 CA-C-N 122.43 2.377 . . . . 0.0 111.579 -177.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.43 135.05 49.72 Favored 'General case' 0 N--CA 1.436 -1.167 1 O-C-N 114.961 -4.846 . . . . 0.0 107.326 168.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -119.9 -6.62 10.04 Favored 'General case' 0 C--O 1.267 1.999 0 CA-C-N 111.338 -2.664 . . . . 0.0 113.559 172.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -142.89 159.97 41.22 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 125.416 2.531 . . . . 0.0 113.845 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.6 pt -67.11 -8.43 7.96 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.227 1 O-C-N 116.183 -4.073 . . . . 0.0 119.064 -171.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 55.1 p -78.35 -13.39 59.87 Favored 'General case' 0 C--O 1.25 1.131 0 C-N-CA 127.549 2.34 . . . . 0.0 112.292 171.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -142.84 -20.37 0.66 Allowed 'General case' 0 N--CA 1.416 -2.14 0 N-CA-C 118.562 2.801 . . . . 0.0 118.562 -175.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 82.6 m -67.72 137.95 55.88 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.781 0.8 . . . . 0.0 109.302 175.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -145.54 138.19 25.89 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 128.686 2.794 . . . . 0.0 107.856 -162.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.452 ' CE1' ' HE1' ' A' ' 27' ' ' MET 0.268 27.1 m-85 -135.81 -177.14 4.55 Favored 'General case' 0 C--N 1.353 0.719 0 O-C-N 120.267 -1.52 . . . . 0.0 109.625 -168.042 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -155.41 165.19 37.39 Favored 'General case' 0 CA--C 1.583 2.232 0 C-N-CA 130.915 3.686 . . . . 0.0 113.805 167.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.521 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 5.4 m-20 -93.31 148.5 21.99 Favored 'General case' 0 C--N 1.382 2.02 0 O-C-N 117.888 -3.008 . . . . 0.0 112.656 -169.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -143.9 84.77 9.5 Favored Pre-proline 0 N--CA 1.538 3.931 0 O-C-N 127.28 2.863 . . . . 0.0 117.128 171.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -79.87 157.74 24.22 Favored 'Trans proline' 0 N--CA 1.415 -3.119 1 C-N-CA 125.495 4.13 . . . . 0.0 112.181 -175.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -172.91 161.77 33.09 Favored Glycine 0 CA--C 1.573 3.662 0 O-C-N 126.952 2.658 . . . . 0.0 114.851 -162.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -138.11 112.7 8.85 Favored 'General case' 0 N--CA 1.518 2.957 0 CA-C-O 127.508 3.527 . . . . 0.0 116.693 171.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 81.9 mtm-85 -148.87 164.22 35.13 Favored 'General case' 0 C--O 1.177 -2.72 0 CA-C-N 112.524 -2.126 . . . . 0.0 112.535 -164.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -76.98 174.2 10.89 Favored 'General case' 0 CA--C 1.576 1.952 0 CA-C-O 116.24 -1.838 . . . . 0.0 109.147 168.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -144.06 163.72 32.72 Favored 'General case' 0 CA--C 1.572 1.79 0 CA-C-O 124.345 2.022 . . . . 0.0 107.747 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.5 t -131.59 126.63 58.14 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.17 0 O-C-N 117.343 -3.348 . . . . 0.0 114.24 -176.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.9 m -137.4 158.34 34.98 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.683 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -168.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -117.96 165.27 13.91 Favored 'General case' 0 C--O 1.255 1.343 0 O-C-N 119.351 -2.093 . . . . 0.0 107.494 174.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 3.3 m -158.91 151.62 21.92 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.507 -158.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -157.33 -178.09 7.09 Favored 'General case' 0 N--CA 1.405 -2.702 0 O-C-N 119.005 -2.309 . . . . 0.0 105.596 -175.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -48.4 159.81 0.19 Allowed 'General case' 0 CA--C 1.587 2.369 0 N-CA-C 118.562 2.801 . . . . 0.0 118.562 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -58.19 169.67 0.8 Allowed 'General case' 0 CA--C 1.609 3.213 0 C-N-CA 124.709 1.204 . . . . 0.0 113.823 161.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -99.13 136.16 20.6 Favored Pre-proline 0 N--CA 1.515 2.79 0 C-N-CA 126.762 2.025 . . . . 0.0 109.341 176.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -48.65 -28.49 12.53 Favored 'Trans proline' 0 C--N 1.367 1.544 0 N-CA-C 117.426 2.048 . . . . 0.0 117.426 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 38.2 mtm105 -121.14 16.41 11.55 Favored 'General case' 0 N--CA 1.517 2.918 0 CA-C-O 116.235 -1.841 . . . . 0.0 107.102 -171.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -139.8 134.47 31.83 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 125.543 3.792 . . . . 0.0 113.56 173.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.9 m 38.95 58.17 5.77 Favored Pre-proline 0 N--CA 1.496 1.839 0 N-CA-C 117.83 2.53 . . . . 0.0 117.83 167.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -54.1 -27.94 48.5 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 123.747 2.965 . . . . 0.0 115.678 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 49.6 tpt85 -43.11 -20.48 0.02 OUTLIER 'General case' 0 C--N 1.356 0.883 0 N-CA-C 117.554 2.428 . . . . 0.0 117.554 -177.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -125.14 110.79 26.8 Favored Pre-proline 0 CA--C 1.573 1.828 0 N-CA-C 105.084 -2.191 . . . . 0.0 105.084 -171.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -67.73 -23.34 42.23 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.988 2.459 . . . . 0.0 113.574 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -141.46 138.55 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 CA-C-N 121.625 2.011 . . . . 0.0 106.192 -174.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 23.2 m -137.25 148.86 63.92 Favored Pre-proline 0 C--O 1.255 1.347 0 C-N-CA 127.494 2.317 . . . . 0.0 109.644 -170.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -66.79 161.2 43.06 Favored 'Trans proline' 0 C--N 1.407 3.62 0 C-N-CA 124.098 3.199 . . . . 0.0 113.875 173.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 33.7 m -162.93 -7.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.51 2.568 0 CA-C-O 116.295 -1.812 . . . . 0.0 113.763 -166.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 40.8 t60 -159.51 172.31 18.1 Favored 'General case' 0 C--N 1.367 1.328 0 CA-C-N 122.372 2.351 . . . . 0.0 110.751 171.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 57.8 tp -132.03 131.37 42.42 Favored 'General case' 0 CA--C 1.585 2.308 0 C-N-CA 127.975 2.51 . . . . 0.0 114.435 -175.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -110.76 -51.8 2.84 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 119.348 -2.095 . . . . 0.0 113.805 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 10.0 t -166.14 177.96 6.62 Favored 'General case' 0 CA--C 1.574 1.888 0 CA-C-N 121.379 1.9 . . . . 0.0 113.484 177.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 81.7 p -137.1 148.16 46.52 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 125.331 1.453 . . . . 0.0 113.206 172.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.586 2.343 0 CA-C-O 114.597 -2.62 . . . . 0.0 108.936 -166.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo . . . . . 0 N--CA 1.521 3.095 0 N-CA-C 121.135 3.475 . . . . 0.0 121.135 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -52.92 -25.31 27.31 Favored 'Trans proline' 0 C--N 1.378 2.12 0 N-CA-C 120.312 3.159 . . . . 0.0 120.312 -174.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -130.64 -14.04 3.68 Favored 'General case' 0 C--N 1.359 0.979 0 CA-C-N 121.956 2.162 . . . . 0.0 113.787 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -142.68 178.41 7.65 Favored 'General case' 0 C--O 1.188 -2.134 0 CA-C-O 126.022 2.82 . . . . 0.0 110.5 -177.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.0 p -84.16 162.92 20.06 Favored 'General case' 0 C--N 1.368 1.407 0 O-C-N 118.623 -2.548 . . . . 0.0 108.188 168.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -61.33 -44.34 97.35 Favored 'General case' 0 N--CA 1.53 3.555 0 CA-C-N 119.32 0.964 . . . . 0.0 111.416 -170.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.01 -34.04 70.96 Favored 'General case' 0 CA--C 1.579 2.071 0 N-CA-C 117.55 2.426 . . . . 0.0 117.55 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -56.77 -44.49 81.86 Favored 'General case' 0 CA--C 1.554 1.108 0 O-C-N 124.957 1.411 . . . . 0.0 111.16 161.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -69.91 -29.62 66.84 Favored 'General case' 0 CA--C 1.593 2.633 0 CA-C-N 122.797 2.544 . . . . 0.0 114.422 173.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -65.57 -45.17 84.34 Favored 'General case' 0 N--CA 1.52 3.059 0 CA-C-N 119.908 1.231 . . . . 0.0 113.168 167.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.45 -59.04 6.09 Favored 'General case' 0 CA--C 1.598 2.824 0 C-N-CA 131.092 3.757 . . . . 0.0 109.597 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.3 mt -44.61 -52.4 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.615 3.472 0 CA-C-N 120.44 1.473 . . . . 0.0 110.397 168.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -73.81 -12.55 60.72 Favored 'General case' 0 C--N 1.392 2.429 0 CA-C-N 120.735 1.607 . . . . 0.0 110.019 -169.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -142.64 -13.5 0.76 Allowed 'General case' 0 CA--C 1.584 2.285 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 -164.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.0 mm -131.42 103.12 6.81 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.297 0 O-C-N 116.366 -3.959 . . . . 0.0 105.03 -158.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.9 m -154.84 118.18 4.49 Favored 'General case' 0 C--N 1.382 1.982 0 CA-C-N 114.381 -1.281 . . . . 0.0 109.036 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.5 tp -63.76 -36.94 85.52 Favored 'General case' 0 C--O 1.253 1.256 0 O-C-N 127.58 3.05 . . . . 0.0 110.868 -177.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -144.55 63.45 10.82 Favored Pre-proline 0 N--CA 1.418 -2.057 0 C-N-CA 125.634 1.573 . . . . 0.0 113.244 -172.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -45.63 162.78 0.1 OUTLIER 'Trans proline' 0 CA--C 1.589 3.226 0 O-C-N 126.756 2.977 . . . . 0.0 114.665 174.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -84.25 -174.45 1.84 Allowed 'Trans proline' 0 CA--C 1.493 -1.53 0 C-N-CA 123.574 2.849 . . . . 0.0 112.569 160.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.6 mmt-85 -54.85 137.64 44.71 Favored 'General case' 0 C--O 1.199 -1.575 0 CA-C-O 117.511 -1.233 . . . . 0.0 112.031 161.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 20.9 m -43.27 -35.47 1.48 Allowed 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 117.79 2.515 . . . . 0.0 117.79 172.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.8 p -61.55 -27.86 68.92 Favored 'General case' 0 C--O 1.257 1.474 0 CA-C-O 117.021 -1.466 . . . . 0.0 113.321 176.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.9 mm -85.82 -40.91 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.664 1.585 . . . . 0.0 113.018 170.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.36 -40.53 85.78 Favored 'General case' 0 C--N 1.395 2.562 0 CA-C-O 126.487 3.042 . . . . 0.0 115.731 -169.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 37.1 mmm -56.4 -18.72 11.99 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 113.004 -1.907 . . . . 0.0 113.277 170.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -63.3 -16.42 60.28 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 117.501 -3.25 . . . . 0.0 117.163 171.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.31 -19.31 65.78 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 117.345 -3.347 . . . . 0.0 115.884 174.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.1 pt -138.44 -32.7 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.513 2.709 0 CA-C-O 114.308 -2.758 . . . . 0.0 118.169 164.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -69.23 -9.5 53.34 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-N 121.723 2.056 . . . . 0.0 106.839 -177.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -104.96 6.14 33.31 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 119.263 -2.148 . . . . 0.0 114.636 175.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -135.45 -37.17 0.77 Allowed 'General case' 0 C--N 1.346 0.42 0 O-C-N 118.401 -2.687 . . . . 0.0 110.156 -175.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.81 147.54 52.42 Favored 'General case' 1 N--CA 1.373 -4.284 0 O-C-N 117.938 -2.976 . . . . 0.0 112.026 158.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -46.38 -36.81 6.81 Favored 'General case' 0 N--CA 1.512 2.652 0 N-CA-C 116.164 1.912 . . . . 0.0 116.164 -175.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -144.26 178.9 7.58 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 125.96 2.79 . . . . 0.0 108.779 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 37.1 m -79.7 113.17 17.65 Favored 'General case' 0 CA--C 1.597 2.758 1 O-C-N 115.952 -4.218 . . . . 0.0 114.442 -177.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -59.11 138.67 57.46 Favored 'General case' 0 N--CA 1.513 2.722 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 164.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -70.02 -49.85 47.33 Favored 'General case' 0 C--O 1.206 -1.199 0 C-N-CA 128.426 2.69 . . . . 0.0 114.772 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -137.93 147.87 44.76 Favored 'General case' 0 C--O 1.272 2.287 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 -177.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -153.09 159.88 42.85 Favored 'General case' 0 N--CA 1.5 2.067 0 C-N-CA 127.311 2.244 . . . . 0.0 112.197 167.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.2 m -144.24 142.44 30.48 Favored 'General case' 0 CA--C 1.568 1.665 0 O-C-N 128.493 3.621 . . . . 0.0 110.366 -173.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -132.35 131.45 41.92 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 127.553 2.341 . . . . 0.0 111.331 -173.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.9 mt -85.4 129.99 34.69 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 123.627 1.679 . . . . 0.0 109.616 175.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -78.74 57.23 2.03 Favored 'General case' 0 CA--C 1.561 1.384 0 CA-C-O 125.317 2.484 . . . . 0.0 111.474 174.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.6 t -141.77 -173.05 3.68 Favored 'General case' 0 N--CA 1.526 3.356 0 O-C-N 118.266 -2.771 . . . . 0.0 107.125 -176.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.5 p -93.98 149.89 20.84 Favored 'General case' 0 C--O 1.203 -1.348 0 N-CA-C 116.627 2.084 . . . . 0.0 116.627 176.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -52.93 -33.94 53.12 Favored 'General case' 0 CA--C 1.563 1.449 0 O-C-N 117.855 -3.028 . . . . 0.0 110.83 168.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.57 -35.22 75.17 Favored 'General case' 0 C--N 1.385 2.125 0 C-N-CA 124.202 1.001 . . . . 0.0 112.138 -176.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -66.33 -34.24 77.54 Favored 'General case' 0 CA--C 1.576 1.971 0 CA-C-O 116.703 -1.618 . . . . 0.0 113.569 169.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.405 HG13 ' HB3' ' A' ' 126' ' ' PRO . 3.4 t -70.48 -32.53 50.27 Favored 'Isoleucine or valine' 0 C--O 1.259 1.563 0 N-CA-C 115.983 1.845 . . . . 0.0 115.983 173.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.8 t -74.39 -37.6 45.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 C-N-CA 130.569 3.547 . . . . 0.0 110.911 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -53.73 -39.65 65.45 Favored 'General case' 0 CA--C 1.564 1.492 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 157.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.5 t -74.1 -26.29 20.8 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.185 0 O-C-N 120.319 -1.488 . . . . 0.0 108.248 -176.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 34.5 m -67.95 -5.48 17.31 Favored 'General case' 0 CA--C 1.463 -2.373 0 N-CA-C 119.525 3.157 . . . . 0.0 119.525 166.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -119.21 12.99 11.25 Favored Glycine 0 N--CA 1.499 2.873 0 N-CA-C 119.13 2.412 . . . . 0.0 119.13 164.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -66.44 178.74 1.15 Allowed 'General case' 0 CA--C 1.606 3.117 0 N-CA-C 103.414 -2.809 . . . . 0.0 103.414 160.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -46.17 149.49 0.71 Allowed 'General case' 0 CA--C 1.569 1.68 0 C-N-CA 127.151 2.181 . . . . 0.0 113.34 167.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.6 m -79.68 136.51 36.81 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 117.632 2.456 . . . . 0.0 117.632 165.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.9 pt -137.63 176.87 6.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 C-N-CA 127.725 2.41 . . . . 0.0 110.558 173.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -119.91 164.88 15.39 Favored 'General case' 0 N--CA 1.515 2.778 1 O-C-N 115.91 -4.244 . . . . 0.0 111.503 171.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 57.4 m -138.0 160.48 64.29 Favored Pre-proline 0 N--CA 1.486 1.33 0 O-C-N 128.087 3.367 . . . . 0.0 107.606 -172.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -79.8 -9.34 14.49 Favored 'Trans proline' 0 C--O 1.161 -3.336 0 N-CA-C 119.148 2.711 . . . . 0.0 119.148 -164.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -126.17 34.89 4.77 Favored 'General case' 0 C--O 1.269 2.128 0 CA-C-O 123.251 1.5 . . . . 0.0 114.434 170.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -129.52 -14.33 4.19 Favored 'General case' 0 C--N 1.375 1.706 1 O-C-N 116.128 -4.108 . . . . 0.0 113.199 -160.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -50.64 -10.76 0.07 Allowed 'General case' 0 CA--C 1.56 1.349 0 C-N-CA 128.198 2.599 . . . . 0.0 117.206 -163.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.4 p -78.5 -6.83 56.53 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-O 111.874 -3.917 . . . . 0.0 112.51 174.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.51 -6.09 4.19 Favored 'General case' 0 C--N 1.315 -0.912 0 O-C-N 127.694 3.121 . . . . 0.0 113.302 158.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.339 28.5 t30 47.56 36.47 5.34 Favored 'General case' 0 CA--C 1.565 1.555 0 C-N-CA 131.672 3.989 . . . . 0.0 111.49 168.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -148.33 134.3 19.15 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 123.43 1.586 . . . . 0.0 108.433 175.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.2 p -142.31 -172.45 3.6 Favored 'General case' 0 N--CA 1.414 -2.25 0 C-N-CA 129.058 2.943 . . . . 0.0 114.174 162.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -149.29 171.56 16.3 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 125.163 1.385 . . . . 0.0 114.613 -175.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -152.2 167.08 29.72 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 117.394 -3.316 . . . . 0.0 110.225 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.4 p -75.66 144.36 41.7 Favored 'General case' 0 N--CA 1.518 2.95 0 CA-C-O 117.721 -1.133 . . . . 0.0 112.912 -170.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -75.98 -21.06 57.35 Favored 'General case' 0 N--CA 1.419 -2.018 0 CA-C-O 113.963 -2.923 . . . . 0.0 112.414 170.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -146.96 164.31 33.38 Favored 'General case' 0 C--O 1.26 1.611 0 CA-C-N 122.058 2.208 . . . . 0.0 109.334 171.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -65.19 154.35 38.28 Favored 'General case' 0 C--N 1.395 2.544 0 CA-C-O 113.149 -3.31 . . . . 0.0 111.96 -176.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.1 m -133.08 151.81 78.53 Favored Pre-proline 0 C--O 1.275 2.413 0 CA-C-N 121.02 1.736 . . . . 0.0 106.979 166.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -56.28 151.69 42.72 Favored 'Trans proline' 0 C--N 1.389 2.679 0 C-N-CA 121.583 1.522 . . . . 0.0 112.167 161.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.4 pp -154.83 168.04 28.24 Favored 'General case' 1 CA--C 1.644 4.576 0 C-N-CA 127.235 2.214 . . . . 0.0 112.224 -175.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.2 tp -130.22 141.32 50.64 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 125.072 1.349 . . . . 0.0 111.525 167.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -116.86 143.79 45.28 Favored 'General case' 0 C--N 1.373 1.614 0 O-C-N 125.419 1.699 . . . . 0.0 111.164 170.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . 0.255 61.1 m -125.31 141.73 51.91 Favored 'General case' 0 C--O 1.27 2.17 0 CA-C-O 126.648 3.118 . . . . 0.0 110.051 173.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -133.89 126.22 29.98 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-N 108.894 -3.776 . . . . 0.0 115.666 -161.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.0 tp -88.65 98.4 11.65 Favored 'General case' 0 C--O 1.181 -2.534 0 CA-C-O 123.381 1.562 . . . . 0.0 108.133 -175.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.274 1.5 pt -72.28 -5.14 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.822 0 C-N-CA 127.108 2.163 . . . . 0.0 115.858 -170.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -145.48 110.1 4.55 Favored Pre-proline 0 C--O 1.269 2.085 0 O-C-N 118.52 -2.612 . . . . 0.0 107.213 167.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -48.11 -32.47 18.8 Favored 'Trans proline' 0 N--CA 1.5 1.872 1 C-N-CA 131.099 7.866 . . . . 0.0 119.007 169.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -56.56 -41.82 89.57 Favored Glycine 0 C--N 1.362 2.008 0 CA-C-N 111.153 -2.749 . . . . 0.0 118.844 173.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.1 128.45 35.87 Favored 'General case' 0 N--CA 1.423 -1.814 0 C-N-CA 130.024 3.329 . . . . 0.0 115.308 177.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -140.54 -4.82 1.24 Allowed 'General case' 0 N--CA 1.526 3.362 0 CA-C-N 122.787 2.539 . . . . 0.0 115.74 175.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -110.72 146.38 36.38 Favored 'General case' 0 CA--C 1.474 -1.969 0 C-N-CA 124.915 1.286 . . . . 0.0 111.531 171.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.4 pt -47.14 -31.59 1.89 Allowed 'Isoleucine or valine' 0 C--O 1.272 2.282 1 O-C-N 114.786 -4.946 . . . . 0.0 118.226 177.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.2 p -60.58 -20.78 61.51 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 120.79 -1.194 . . . . 0.0 113.214 174.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -131.42 -10.79 3.62 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 115.613 1.708 . . . . 0.0 115.613 177.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 86.2 m -57.15 121.4 9.97 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 117.469 2.396 . . . . 0.0 117.469 169.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -137.01 158.39 44.57 Favored 'General case' 0 C--N 1.386 2.185 0 O-C-N 119.396 -2.065 . . . . 0.0 111.706 -175.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -147.74 153.54 39.39 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 118.327 -1.349 . . . . 0.0 111.56 -155.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -133.36 149.17 51.87 Favored 'General case' 0 CA--C 1.574 1.89 0 CA-C-O 123.456 1.598 . . . . 0.0 112.38 166.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.19 151.87 27.98 Favored 'General case' 0 C--N 1.389 2.308 0 CA-C-N 108.899 -3.773 . . . . 0.0 111.206 -174.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -159.24 88.69 2.07 Favored Pre-proline 0 N--CA 1.516 2.857 0 C-N-CA 130.118 3.367 . . . . 0.0 113.28 -174.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -87.87 163.98 7.5 Favored 'Trans proline' 0 C--O 1.265 1.832 0 C-N-CA 124.192 3.261 . . . . 0.0 115.469 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -164.77 178.94 39.73 Favored Glycine 0 N--CA 1.432 -1.626 0 N-CA-C 117.441 1.736 . . . . 0.0 117.441 -177.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -144.4 114.18 7.24 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-N 121.846 2.823 . . . . 0.0 110.198 166.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 86.7 mtm-85 -144.61 164.29 31.38 Favored 'General case' 0 CA--C 1.593 2.598 0 CA-C-O 112.793 -3.48 . . . . 0.0 112.16 -163.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -72.56 176.9 5.04 Favored 'General case' 0 CA--C 1.501 -0.942 0 O-C-N 127.003 2.689 . . . . 0.0 114.203 158.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -150.11 159.74 44.18 Favored 'General case' 0 N--CA 1.507 2.405 0 C-N-CA 118.22 -1.392 . . . . 0.0 113.152 -176.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.5 t -137.82 118.03 16.02 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.314 0 CA-C-O 123.12 1.438 . . . . 0.0 108.578 -174.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.3 m -129.7 163.33 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.351 0 CA-C-N 113.823 -1.535 . . . . 0.0 113.611 -177.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -123.68 150.07 44.7 Favored 'General case' 0 CA--C 1.572 1.806 0 O-C-N 119.739 -1.851 . . . . 0.0 108.739 -177.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 68.2 m -142.68 163.68 32.15 Favored 'General case' 0 N--CA 1.514 2.774 0 CA-C-N 121.399 1.909 . . . . 0.0 115.027 -160.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -156.6 -179.45 8.2 Favored 'General case' 0 N--CA 1.425 -1.677 0 O-C-N 119.279 -2.138 . . . . 0.0 112.806 -167.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . 0.279 31.3 t-20 -51.83 152.03 3.17 Favored 'General case' 0 N--CA 1.514 2.772 0 CA-C-O 127.509 3.528 . . . . 0.0 107.679 177.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -57.07 159.69 4.14 Favored 'General case' 0 CA--C 1.604 3.031 0 O-C-N 116.764 -3.71 . . . . 0.0 110.085 164.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -63.59 147.18 95.95 Favored Pre-proline 0 C--N 1.347 0.467 0 N-CA-C 118.176 2.658 . . . . 0.0 118.176 156.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -60.05 -22.24 68.62 Favored 'Trans proline' 0 N--CA 1.488 1.147 0 C-N-CA 123.397 2.731 . . . . 0.0 116.858 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 38.9 mtm105 -142.1 29.46 1.65 Allowed 'General case' 0 N--CA 1.502 2.168 0 CA-C-O 116.434 -1.746 . . . . 0.0 110.461 -158.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -148.58 140.91 24.18 Favored 'General case' 0 N--CA 1.515 2.814 0 CA-C-N 122.664 2.484 . . . . 0.0 111.256 171.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . 0.272 4.7 m 46.77 52.11 11.34 Favored Pre-proline 0 CA--C 1.549 0.911 0 CA-C-N 120.804 1.638 . . . . 0.0 113.791 162.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -37.36 -33.88 0.21 Allowed 'Trans proline' 0 C--N 1.373 1.857 1 C-N-CA 127.421 5.414 . . . . 0.0 114.434 175.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 49.8 tpt85 -59.03 -22.93 61.47 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 118.78 2.882 . . . . 0.0 118.78 -175.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . 0.329 30.2 m-85 -115.11 95.71 43.0 Favored Pre-proline 0 N--CA 1.509 2.485 1 O-C-N 129.37 4.169 . . . . 0.0 109.414 -176.308 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -73.08 -22.43 19.4 Favored 'Trans proline' 0 CA--C 1.57 2.32 0 N-CA-C 114.847 1.056 . . . . 0.0 114.847 -170.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . 0.256 4.3 m -129.87 144.28 38.52 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.813 0 C-N-CA 126.255 1.822 . . . . 0.0 113.559 167.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 25.0 m -143.18 162.48 42.72 Favored Pre-proline 0 C--O 1.259 1.573 0 C-N-CA 124.996 1.319 . . . . 0.0 110.981 -167.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.405 ' HB3' HG13 ' A' ' 51' ' ' VAL . 86.4 Cg_endo -74.58 146.65 34.82 Favored 'Trans proline' 0 C--N 1.4 3.238 0 C-N-CA 124.204 3.269 . . . . 0.0 111.559 175.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 35.7 m -124.82 -23.33 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 N-CA-C 118.706 2.854 . . . . 0.0 118.706 176.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -152.54 170.79 19.31 Favored 'General case' 0 C--N 1.39 2.35 0 O-C-N 118.242 -2.786 . . . . 0.0 112.877 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 24.4 tp -129.37 151.62 49.82 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 126.765 2.026 . . . . 0.0 107.347 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -121.84 -50.14 2.07 Favored 'General case' 0 N--CA 1.515 2.781 0 CA-C-O 127.62 3.581 . . . . 0.0 115.316 -168.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.3 t -164.74 172.89 12.45 Favored 'General case' 0 N--CA 1.519 2.997 0 O-C-N 117.256 -3.403 . . . . 0.0 109.17 -173.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 76.1 p -150.78 135.07 16.98 Favored 'General case' 0 C--O 1.279 2.625 0 C-N-CA 126.863 2.065 . . . . 0.0 105.85 177.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.952 0 O-C-N 125.985 2.053 . . . . 0.0 112.741 -160.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo . . . . . 0 N--CA 1.43 -2.256 0 N-CA-C 115.323 1.24 . . . . 0.0 115.323 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.274 21.2 Cg_exo -57.24 -22.25 47.83 Favored 'Trans proline' 0 N--CA 1.448 -1.165 0 C-N-CA 124.453 3.435 . . . . 0.0 115.666 -173.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -132.06 -12.85 3.21 Favored 'General case' 0 N--CA 1.516 2.825 0 CA-C-N 123.621 2.919 . . . . 0.0 113.855 176.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -126.9 179.92 5.15 Favored 'General case' 0 C--O 1.19 -2.071 0 O-C-N 117.88 -3.012 . . . . 0.0 111.038 -176.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.7 p -79.29 167.66 20.61 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.088 -1.632 . . . . 0.0 110.753 152.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -64.04 -51.8 62.43 Favored 'General case' 0 N--CA 1.498 1.973 0 CA-C-O 123.441 1.591 . . . . 0.0 111.836 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.2 -43.37 98.37 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.527 -1.358 . . . . 0.0 110.268 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -63.29 -37.83 88.77 Favored 'General case' 0 CA--C 1.558 1.269 0 O-C-N 118.251 -2.78 . . . . 0.0 116.068 175.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.7 t-105 -56.59 -39.63 73.86 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 121.669 3.951 . . . . 0.0 121.669 165.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -52.49 -48.99 65.61 Favored 'General case' 0 C--O 1.249 1.028 0 C-N-CA 126.641 1.976 . . . . 0.0 112.702 161.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.4 -44.23 96.95 Favored 'General case' 0 N--CA 1.405 -2.712 0 O-C-N 119.242 -2.161 . . . . 0.0 112.302 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 52.3 mt -58.24 -27.55 32.73 Favored 'Isoleucine or valine' 0 C--N 1.401 2.815 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . 0.264 56.3 mt-30 -99.79 -22.61 15.28 Favored 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 174.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -133.23 2.43 3.58 Favored 'General case' 0 C--N 1.378 1.815 0 CA-C-O 114.446 -2.692 . . . . 0.0 116.464 -168.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.8 mm -128.51 127.8 67.36 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-O 124.388 2.042 . . . . 0.0 106.468 -178.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.7 m -169.8 120.77 0.67 Allowed 'General case' 0 CA--C 1.479 -1.786 0 O-C-N 119.923 -1.736 . . . . 0.0 113.04 178.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 tp -67.53 -28.29 67.68 Favored 'General case' 0 C--N 1.389 2.297 0 N-CA-C 118.622 2.823 . . . . 0.0 118.622 -178.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -150.73 73.95 8.72 Favored Pre-proline 0 CA--C 1.56 1.347 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -67.09 151.14 82.14 Favored 'Trans proline' 0 CA--C 1.565 2.032 0 O-C-N 125.628 2.383 . . . . 0.0 109.05 -163.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -70.51 179.47 4.08 Favored 'Trans proline' 0 C--O 1.281 2.629 0 C-N-CA 124.336 3.357 . . . . 0.0 108.553 -173.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 46.3 mmt-85 -50.0 137.23 17.46 Favored 'General case' 0 N--CA 1.531 3.579 1 O-C-N 115.606 -4.434 . . . . 0.0 111.357 163.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.474 ' SG ' ' HA ' ' A' ' 100' ' ' ASP . 95.7 m -53.66 -25.3 17.39 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 116.982 -3.573 . . . . 0.0 114.705 175.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.3 p -60.68 -29.0 69.04 Favored 'General case' 0 C--O 1.259 1.558 0 CA-C-O 115.293 -2.289 . . . . 0.0 109.593 169.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.4 mm -94.87 -37.47 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.265 0 CA-C-N 122.788 2.54 . . . . 0.0 111.264 167.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.44 -42.24 98.66 Favored 'General case' 0 C--N 1.28 -2.417 0 CA-C-N 121.292 1.86 . . . . 0.0 111.115 -171.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.477 ' HG3' ' CD1' ' A' ' 98' ' ' TYR . 71.7 mmm -61.14 -32.12 71.83 Favored 'General case' 0 C--N 1.312 -1.059 0 O-C-N 117.263 -3.398 . . . . 0.0 110.488 -177.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -51.48 -21.85 2.71 Favored 'General case' 0 N--CA 1.414 -2.264 0 C-N-CA 124.896 1.278 . . . . 0.0 111.283 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.83 -7.04 4.33 Favored 'General case' 0 C--O 1.278 2.56 0 O-C-N 117.39 -3.319 . . . . 0.0 114.571 175.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -137.89 -39.97 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 CA-C-N 114.386 -1.279 . . . . 0.0 112.274 171.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -74.64 -18.37 60.55 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.962 1.305 . . . . 0.0 113.426 -176.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.425 1.8 m120 -100.19 6.57 44.79 Favored 'General case' 0 C--O 1.212 -0.885 0 C-N-CA 127.957 2.503 . . . . 0.0 115.841 166.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -128.9 9.19 5.79 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-O 122.356 1.074 . . . . 0.0 112.522 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -136.07 161.39 35.83 Favored 'General case' 0 C--N 1.289 -2.049 0 O-C-N 118.44 -2.663 . . . . 0.0 107.514 175.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 -65.46 -21.78 66.68 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 119.116 -2.24 . . . . 0.0 114.687 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 70.6 mtt180 -134.36 166.05 23.74 Favored 'General case' 0 C--O 1.191 -2.005 0 CA-C-N 119.914 1.234 . . . . 0.0 113.681 172.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.6 m -67.24 120.95 14.63 Favored 'General case' 0 C--O 1.269 2.093 0 CA-C-N 113.546 -1.661 . . . . 0.0 110.858 170.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -75.04 137.65 41.63 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 127.858 2.463 . . . . 0.0 113.821 160.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -65.8 -40.58 92.03 Favored 'General case' 0 CA--C 1.558 1.27 0 N-CA-C 119.234 3.049 . . . . 0.0 119.234 -178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -136.67 157.29 47.12 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-N 124.085 3.129 . . . . 0.0 112.281 177.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -151.83 152.7 32.98 Favored 'General case' 0 N--CA 1.526 3.351 0 CA-C-N 121.913 2.142 . . . . 0.0 115.272 155.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.2 m -114.96 148.82 38.25 Favored 'General case' 0 C--O 1.275 2.427 0 C-N-CA 125.173 1.389 . . . . 0.0 111.184 176.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -132.02 120.2 22.09 Favored 'General case' 0 N--CA 1.432 -1.348 0 C-N-CA 128.314 2.646 . . . . 0.0 110.709 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.5 mt -86.66 131.08 34.25 Favored 'General case' 0 N--CA 1.419 -2.01 0 C-N-CA 126.416 1.887 . . . . 0.0 111.747 178.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -91.75 51.13 1.8 Allowed 'General case' 0 C--O 1.253 1.287 0 C-N-CA 127.287 2.235 . . . . 0.0 112.292 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -139.02 165.47 27.03 Favored 'General case' 0 C--O 1.278 2.597 0 O-C-N 120.28 -1.513 . . . . 0.0 110.347 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.0 p -78.68 156.23 29.07 Favored 'General case' 0 C--O 1.197 -1.66 0 CA-C-N 122.056 2.207 . . . . 0.0 109.681 -167.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -61.51 -45.37 94.49 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 119.049 -1.061 . . . . 0.0 110.868 -170.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.88 -26.6 64.41 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-O 115.193 -2.337 . . . . 0.0 113.03 175.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -68.25 -31.87 71.65 Favored 'General case' 0 CA--C 1.583 2.227 0 C-N-CA 114.749 -2.78 . . . . 0.0 113.056 171.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.8 t -74.52 -30.08 24.94 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.913 0 C-N-CA 118.638 -1.225 . . . . 0.0 110.632 177.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.76 -40.5 81.54 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 CA-C-O 116.056 -1.926 . . . . 0.0 109.525 169.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -54.58 -30.88 55.71 Favored 'General case' 0 C--O 1.201 -1.483 0 CA-C-N 119.97 1.259 . . . . 0.0 112.571 170.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.4 t -81.58 -33.28 12.2 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.754 0 O-C-N 119.25 -2.156 . . . . 0.0 106.111 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 38.9 m -57.0 -14.66 3.81 Favored 'General case' 0 CA--C 1.573 1.838 0 N-CA-C 118.2 2.667 . . . . 0.0 118.2 161.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -81.47 -26.27 51.73 Favored Glycine 0 N--CA 1.504 3.193 0 C-N-CA 128.428 2.918 . . . . 0.0 116.749 171.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -67.29 156.78 35.53 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 128.574 2.75 . . . . 0.0 112.408 172.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -63.72 -179.57 0.39 Allowed 'General case' 0 CA--C 1.494 -1.184 0 CA-C-O 116.132 -1.889 . . . . 0.0 112.577 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 m -123.27 155.86 36.37 Favored 'General case' 0 CA--C 1.616 3.484 0 N-CA-C 116.69 2.107 . . . . 0.0 116.69 -167.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 pt -134.0 175.36 11.41 Favored 'Isoleucine or valine' 0 C--O 1.285 2.924 1 C-N-CA 131.887 4.075 . . . . 0.0 111.206 170.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -117.01 158.4 24.2 Favored 'General case' 0 CA--C 1.579 2.086 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 170.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 54.9 m -134.93 163.06 53.93 Favored Pre-proline 0 N--CA 1.508 2.434 0 C-N-CA 127.27 2.228 . . . . 0.0 112.732 -163.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . 0.308 31.5 Cg_exo -57.53 -18.72 33.45 Favored 'Trans proline' 0 C--N 1.372 1.796 0 N-CA-C 119.581 2.877 . . . . 0.0 119.581 -167.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -146.5 35.46 0.96 Allowed 'General case' 0 C--O 1.177 -2.725 0 CA-C-O 127.618 3.58 . . . . 0.0 115.55 -163.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -118.87 19.13 13.16 Favored 'General case' 0 N--CA 1.512 2.65 0 O-C-N 118.529 -2.607 . . . . 0.0 113.052 -152.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.1 ptt-85 -59.18 -42.49 90.95 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-O 115.816 -2.04 . . . . 0.0 110.601 -166.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.5 p -62.47 4.67 0.14 Allowed 'General case' 0 CA--C 1.611 3.309 0 CA-C-O 113.91 -2.948 . . . . 0.0 117.173 178.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -147.79 -14.4 0.37 Allowed 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 121.258 1.844 . . . . 0.0 112.748 163.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 32.4 t30 46.82 41.02 9.88 Favored 'General case' 0 CA--C 1.58 2.128 0 CA-C-N 121.831 2.105 . . . . 0.0 115.48 -173.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -158.69 123.54 4.2 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 111.898 -2.41 . . . . 0.0 115.283 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.3 p -135.18 175.76 9.28 Favored 'General case' 0 C--O 1.272 2.262 0 C-N-CA 126.689 1.996 . . . . 0.0 107.801 164.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -147.67 145.36 28.89 Favored 'General case' 0 N--CA 1.498 1.954 0 CA-C-O 116.291 -1.814 . . . . 0.0 109.695 -171.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -123.48 152.31 41.83 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 125.257 1.423 . . . . 0.0 110.832 -175.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.0 p -79.11 160.6 26.98 Favored 'General case' 0 N--CA 1.5 2.048 0 C-N-CA 124.477 1.111 . . . . 0.0 113.133 -169.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -91.52 -11.18 38.14 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 117.579 -3.201 . . . . 0.0 109.193 -177.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -153.39 160.85 42.72 Favored 'General case' 0 C--O 1.208 -1.108 0 CA-C-N 120.751 1.614 . . . . 0.0 111.133 -174.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 32.4 mtm180 -67.65 146.57 53.7 Favored 'General case' 0 C--O 1.189 -2.115 0 O-C-N 118.912 -2.367 . . . . 0.0 109.369 175.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.7 m -129.69 155.36 80.48 Favored Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 119.998 -1.689 . . . . 0.0 113.309 165.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -68.26 165.93 27.01 Favored 'Trans proline' 0 CA--C 1.546 1.081 0 N-CA-C 107.048 -1.943 . . . . 0.0 107.048 171.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 pp -165.53 158.39 15.69 Favored 'General case' 0 N--CA 1.504 2.25 1 O-C-N 132.861 6.351 . . . . 0.0 111.506 -167.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 102' ' ' PRO 0.28 47.0 tp -121.54 127.97 51.53 Favored 'General case' 0 C--O 1.191 -2.009 0 O-C-N 125.676 1.86 . . . . 0.0 110.602 156.896 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -97.12 158.41 15.45 Favored 'General case' 0 C--O 1.182 -2.463 0 O-C-N 118.085 -2.884 . . . . 0.0 113.512 157.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 77.1 m -145.62 141.86 28.55 Favored 'General case' 0 C--O 1.183 -2.396 0 C-N-CA 127.436 2.294 . . . . 0.0 112.966 -169.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -148.04 117.94 7.17 Favored 'General case' 0 CA--C 1.581 2.14 0 CA-C-N 113.617 -1.629 . . . . 0.0 114.776 -150.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.0 tp -66.71 80.77 0.1 Allowed 'General case' 0 CA--C 1.603 3.008 0 C-N-CA 124.642 1.177 . . . . 0.0 110.816 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 46.0 pt -52.55 -19.91 1.84 Allowed 'Isoleucine or valine' 0 C--O 1.189 -2.105 0 N-CA-C 117.43 2.381 . . . . 0.0 117.43 -169.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -117.53 99.97 52.55 Favored Pre-proline 0 N--CA 1.49 1.554 0 CA-C-O 115.896 -2.002 . . . . 0.0 105.647 159.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . 0.284 35.2 Cg_exo -54.41 -29.47 58.87 Favored 'Trans proline' 1 N--CA 1.393 -4.432 0 C-N-CA 122.144 1.896 . . . . 0.0 114.789 173.576 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -57.8 22.08 0.02 OUTLIER Glycine 0 C--O 1.192 -2.483 1 C-N-CA 131.442 4.353 . . . . 0.0 114.866 172.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -132.5 137.84 47.33 Favored 'General case' 0 CA--C 1.568 1.648 0 CA-C-N 122.737 3.268 . . . . 0.0 115.254 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -130.38 -3.44 4.34 Favored 'General case' 0 C--N 1.379 1.87 0 N-CA-C 116.677 2.103 . . . . 0.0 116.677 177.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -120.77 130.29 53.96 Favored 'General case' 0 N--CA 1.404 -2.758 0 O-C-N 116.467 -3.896 . . . . 0.0 106.995 -175.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.292 21.8 pt -49.34 -23.12 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 N-CA-C 116.361 1.986 . . . . 0.0 116.361 176.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.0 p -59.16 -12.52 5.29 Favored 'General case' 0 CA--C 1.576 1.959 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 167.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -145.23 -17.35 0.49 Allowed 'General case' 0 N--CA 1.472 0.672 0 O-C-N 127.325 2.891 . . . . 0.0 115.504 -176.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 65.6 m -56.32 145.63 26.44 Favored 'General case' 0 C--N 1.406 3.046 0 O-C-N 119.335 -2.103 . . . . 0.0 111.459 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -141.22 149.64 41.64 Favored 'General case' 0 N--CA 1.506 2.346 0 O-C-N 126.208 2.192 . . . . 0.0 111.089 -174.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.477 ' CD1' ' HG3' ' A' ' 27' ' ' MET . 58.0 m-85 -140.0 -179.02 5.72 Favored 'General case' 0 C--O 1.277 2.525 0 N-CA-C 117.678 2.473 . . . . 0.0 117.678 -168.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -176.24 157.22 1.74 Allowed 'General case' 0 C--N 1.387 2.208 0 CA-C-O 124.34 2.019 . . . . 0.0 110.126 170.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.474 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -81.9 145.02 30.56 Favored 'General case' 0 C--O 1.289 3.16 0 N-CA-C 119.278 3.066 . . . . 0.0 119.278 -173.499 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -148.18 80.24 8.69 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 118.362 -2.711 . . . . 0.0 105.562 177.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.493 ' HA ' ' HA ' ' A' ' 81' ' ' LEU . 57.8 Cg_endo -69.87 176.55 6.7 Favored 'Trans proline' 0 CA--C 1.49 -1.685 0 C-N-CA 123.838 3.025 . . . . 0.0 111.32 177.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 169.23 -170.37 42.51 Favored Glycine 0 C--N 1.392 3.642 0 CA-C-N 122.34 2.336 . . . . 0.0 115.962 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -145.22 120.19 10.01 Favored 'General case' 0 N--CA 1.432 -1.371 0 O-C-N 117.482 -3.364 . . . . 0.0 109.251 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 66.6 mtm-85 -150.34 172.64 15.08 Favored 'General case' 0 CA--C 1.466 -2.254 0 CA-C-N 121.065 1.757 . . . . 0.0 109.297 -178.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . 0.323 58.0 m-85 -72.89 178.68 4.11 Favored 'General case' 0 C--N 1.267 -3.01 0 O-C-N 118.257 -2.777 . . . . 0.0 112.828 157.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -138.64 156.96 46.98 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 126.802 2.041 . . . . 0.0 110.178 176.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.3 t -121.0 139.65 47.57 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.235 0 C-N-CA 127.58 2.352 . . . . 0.0 107.747 166.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.0 m -139.15 167.64 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 O-C-N 118.24 -2.787 . . . . 0.0 108.115 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -124.73 154.64 40.55 Favored 'General case' 0 CA--C 1.468 -2.203 0 CA-C-O 125.95 2.786 . . . . 0.0 104.842 166.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 86.2 m -144.99 170.09 16.83 Favored 'General case' 0 C--O 1.253 1.271 0 CA-C-N 112.606 -2.088 . . . . 0.0 110.182 -164.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -161.14 163.09 31.55 Favored 'General case' 0 N--CA 1.514 2.764 0 C-N-CA 129.552 3.141 . . . . 0.0 108.138 -172.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -42.03 154.36 0.05 Allowed 'General case' 0 CA--C 1.586 2.35 0 O-C-N 127.085 2.741 . . . . 0.0 107.534 160.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -68.85 158.59 34.17 Favored 'General case' 0 CA--C 1.494 -1.175 0 CA-C-O 124.984 2.326 . . . . 0.0 112.773 174.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -60.1 144.25 87.22 Favored Pre-proline 0 C--N 1.276 -2.605 0 O-C-N 119.657 -1.902 . . . . 0.0 115.994 172.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 99.7 Cg_exo -59.76 0.54 0.58 Allowed 'Trans proline' 0 CA--C 1.557 1.669 0 N-CA-C 118.084 2.302 . . . . 0.0 118.084 174.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -148.59 -3.64 0.46 Allowed 'General case' 0 C--O 1.199 -1.586 0 CA-C-N 122.031 2.196 . . . . 0.0 111.103 -170.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -133.92 139.82 46.4 Favored 'General case' 0 N--CA 1.519 2.976 0 O-C-N 120.134 -1.604 . . . . 0.0 114.892 -171.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.2 m 46.87 53.39 13.57 Favored Pre-proline 0 C--O 1.204 -1.297 0 N-CA-C 116.726 2.121 . . . . 0.0 116.726 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -56.6 -5.28 1.09 Allowed 'Trans proline' 0 N--CA 1.497 1.716 0 O-C-N 117.52 -1.884 . . . . 0.0 115.152 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.7 tpt85 -70.96 -10.59 59.99 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 128.659 2.784 . . . . 0.0 117.272 -168.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.14 143.74 17.97 Favored Pre-proline 0 CA--C 1.472 -2.036 0 C-N-CA 125.755 1.622 . . . . 0.0 114.577 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -76.12 -35.04 2.57 Favored 'Trans proline' 0 C--N 1.387 2.576 0 CA-C-O 115.575 -1.927 . . . . 0.0 113.57 -163.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 12.6 m -131.86 156.95 43.02 Favored 'Isoleucine or valine' 0 C--O 1.262 1.728 0 C-N-CA 125.969 1.708 . . . . 0.0 115.02 178.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 17.4 m -144.82 149.66 43.71 Favored Pre-proline 1 N--CA 1.539 4.015 0 C-N-CA 127.77 2.428 . . . . 0.0 109.697 -169.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -83.29 144.32 11.59 Favored 'Trans proline' 0 N--CA 1.526 3.396 0 N-CA-C 104.703 -2.845 . . . . 0.0 104.703 -176.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . 0.274 14.3 m -123.98 -12.97 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 CA-C-N 115.049 -0.978 . . . . 0.0 113.278 -174.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -155.71 135.09 12.36 Favored 'General case' 0 C--O 1.247 0.937 0 CA-C-O 114.285 -2.769 . . . . 0.0 113.474 -173.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 21.2 tp -85.58 120.44 27.03 Favored 'General case' 0 CA--C 1.494 -1.18 0 CA-C-N 123.559 2.89 . . . . 0.0 108.139 164.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -90.84 -42.37 10.68 Favored 'General case' 0 CA--C 1.563 1.467 0 CA-C-N 123.647 2.93 . . . . 0.0 108.638 -176.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 9.2 t -170.11 166.31 9.08 Favored 'General case' 0 N--CA 1.499 1.985 0 C-N-CA 123.978 0.911 . . . . 0.0 111.356 -175.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.3 p -138.69 121.88 16.93 Favored 'General case' 0 C--N 1.284 -2.244 0 C-N-CA 130.254 3.422 . . . . 0.0 112.254 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.48 -1.713 0 N-CA-C 121.158 3.762 . . . . 0.0 121.158 -159.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo . . . . . 0 CA--C 1.562 1.91 0 N-CA-C 118.159 2.33 . . . . 0.0 118.159 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -36.93 -16.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.5 1.901 1 C-N-CA 126.056 4.504 . . . . 0.0 119.236 174.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 5' ' ' PHE . 33.8 mt-30 -146.72 -10.77 0.46 Allowed 'General case' 0 C--N 1.406 3.063 0 CA-C-O 116.772 -1.585 . . . . 0.0 110.455 171.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 4' ' ' GLN . 22.8 m-85 -142.26 175.27 9.89 Favored 'General case' 0 CA--C 1.605 3.06 2 CA-C-N 127.679 4.763 . . . . 0.0 111.014 -168.563 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.6 p -78.99 159.03 27.83 Favored 'General case' 0 C--O 1.28 2.694 0 O-C-N 120.864 -1.148 . . . . 0.0 109.264 161.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -50.17 -49.18 53.12 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 118.004 -2.935 . . . . 0.0 113.52 165.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.77 -44.06 73.32 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 126.908 2.083 . . . . 0.0 110.736 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -79.95 -39.23 30.64 Favored 'General case' 0 C--O 1.197 -1.707 0 O-C-N 118.805 -2.434 . . . . 0.0 111.82 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.0 t-105 -55.05 -42.75 73.07 Favored 'General case' 0 N--CA 1.419 -2.014 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 167.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -54.85 -40.9 70.12 Favored 'General case' 0 CA--C 1.594 2.658 0 O-C-N 117.792 -3.068 . . . . 0.0 111.563 164.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.89 -33.49 39.88 Favored 'General case' 0 N--CA 1.427 -1.61 0 CA-C-N 123.677 2.944 . . . . 0.0 112.637 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.4 mt -60.54 -27.61 40.66 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.416 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 170.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -88.54 -23.54 23.14 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 172.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -144.06 -14.21 0.62 Allowed 'General case' 0 CA--C 1.572 1.819 0 CA-C-N 124.041 3.109 . . . . 0.0 111.287 -155.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.6 mm -134.46 125.47 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.017 -1.052 . . . . 0.0 112.349 -171.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . 0.356 13.4 m -164.41 154.08 13.92 Favored 'General case' 0 CA--C 1.48 -1.714 0 C-N-CA 126.937 2.095 . . . . 0.0 108.694 167.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.1 tp -86.22 -24.32 26.1 Favored 'General case' 0 C--O 1.181 -2.547 0 O-C-N 127.209 2.818 . . . . 0.0 116.454 -169.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -142.25 101.76 5.68 Favored Pre-proline 0 C--N 1.299 -1.624 0 C-N-CA 130.298 3.439 . . . . 0.0 109.185 146.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -73.41 163.77 36.84 Favored 'Trans proline' 0 C--N 1.381 2.245 0 CA-C-O 117.609 -1.08 . . . . 0.0 109.497 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -48.89 168.18 0.11 Allowed 'Trans proline' 1 C--N 1.437 5.202 1 C-N-CA 127.49 5.46 . . . . 0.0 116.541 163.222 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -65.03 155.15 35.62 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.265 -1.522 . . . . 0.0 109.598 155.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 81.6 m -55.42 -27.01 45.16 Favored 'General case' 0 C--O 1.26 1.638 0 CA-C-N 113.418 -1.719 . . . . 0.0 113.386 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.9 p -53.17 -31.59 43.47 Favored 'General case' 0 N--CA 1.509 2.509 0 N-CA-C 116.061 1.875 . . . . 0.0 116.061 172.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.0 mm -106.46 -53.44 6.68 Favored 'Isoleucine or valine' 1 C--O 1.15 -4.15 0 CA-C-N 111.757 -2.474 . . . . 0.0 110.373 177.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.26 -48.15 1.78 Allowed 'General case' 0 N--CA 1.424 -1.746 0 C-N-CA 129.502 3.121 . . . . 0.0 110.273 176.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 78.5 mmm -62.47 -36.17 81.63 Favored 'General case' 0 C--O 1.185 -2.309 0 C-N-CA 126.75 2.02 . . . . 0.0 111.769 -175.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.6 mtt-85 -57.97 -21.86 46.49 Favored 'General case' 0 N--CA 1.419 -2.021 0 O-C-N 119.958 -1.714 . . . . 0.0 110.497 -178.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.91 -8.18 0.93 Allowed 'General case' 0 C--N 1.284 -2.262 0 CA-C-N 124.225 3.193 . . . . 0.0 116.881 170.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.1 pt -142.36 -38.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.81 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -69.76 -23.07 63.32 Favored 'General case' 0 C--N 1.28 -2.414 0 CA-C-O 123.247 1.499 . . . . 0.0 109.809 -174.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -113.66 4.64 16.15 Favored 'General case' 0 CA--C 1.588 2.405 0 CA-C-O 115.778 -2.058 . . . . 0.0 112.801 -176.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -125.04 -36.6 2.52 Favored 'General case' 0 C--O 1.184 -2.352 0 O-C-N 126.643 2.464 . . . . 0.0 116.739 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -77.75 163.15 26.39 Favored 'General case' 0 N--CA 1.427 -1.583 0 O-C-N 117.837 -3.039 . . . . 0.0 113.2 152.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -64.94 -16.52 63.42 Favored 'General case' 0 CA--C 1.573 1.864 0 C-N-CA 126.394 1.878 . . . . 0.0 115.826 -171.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -143.41 164.41 30.38 Favored 'General case' 0 CA--C 1.454 -2.727 0 C-N-CA 125.174 1.39 . . . . 0.0 112.748 176.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 59.9 m -66.72 122.96 18.8 Favored 'General case' 1 N--CA 1.546 4.359 0 C-N-CA 130.033 3.333 . . . . 0.0 111.311 173.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -70.2 135.84 49.45 Favored 'General case' 0 C--N 1.271 -2.806 0 CA-C-O 117.439 -1.267 . . . . 0.0 111.107 167.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -75.63 -33.97 60.52 Favored 'General case' 0 C--O 1.206 -1.202 0 O-C-N 127.715 3.134 . . . . 0.0 112.828 -177.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -132.42 161.08 34.56 Favored 'General case' 0 CA--C 1.592 2.571 0 CA-C-N 124.261 3.21 . . . . 0.0 109.24 171.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -152.76 170.39 20.42 Favored 'General case' 1 N--CA 1.553 4.713 0 O-C-N 118.418 -2.676 . . . . 0.0 110.584 157.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.1 m -145.68 139.85 26.86 Favored 'General case' 0 C--O 1.244 0.767 0 N-CA-C 103.745 -2.687 . . . . 0.0 103.745 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -124.41 129.01 49.91 Favored 'General case' 0 C--N 1.288 -2.084 0 C-N-CA 126.47 1.908 . . . . 0.0 109.741 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 mp -108.17 153.2 23.52 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 122.788 2.54 . . . . 0.0 111.058 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -101.93 61.81 0.89 Allowed 'General case' 0 C--O 1.265 1.894 0 C-N-CA 128.318 2.647 . . . . 0.0 113.763 -175.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.1 t -141.39 152.47 44.36 Favored 'General case' 0 C--O 1.19 -2.074 0 C-N-CA 128.601 2.761 . . . . 0.0 110.54 176.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.3 p -61.46 144.73 53.68 Favored 'General case' 0 N--CA 1.501 2.089 0 C-N-CA 129.594 3.158 . . . . 0.0 111.947 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -48.17 -42.95 31.06 Favored 'General case' 0 C--O 1.262 1.741 0 CA-C-O 114.399 -2.715 . . . . 0.0 110.48 160.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.83 -36.99 63.13 Favored 'General case' 0 C--O 1.275 2.444 0 O-C-N 126.727 2.517 . . . . 0.0 115.728 176.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.257 22.4 t-20 -67.91 -38.94 83.58 Favored 'General case' 0 C--O 1.258 1.55 0 N-CA-C 117.365 2.357 . . . . 0.0 117.365 168.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.2 t -62.77 -50.77 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.862 0 CA-C-O 115.716 -2.088 . . . . 0.0 109.025 173.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 42.6 t -54.64 -37.03 37.97 Favored 'Isoleucine or valine' 0 C--N 1.368 1.408 0 C-N-CA 128.906 2.882 . . . . 0.0 111.817 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -62.14 -53.68 51.94 Favored 'General case' 0 C--O 1.263 1.811 0 O-C-N 128.462 3.601 . . . . 0.0 111.218 170.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.1 t -57.34 -37.16 55.55 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.682 0 C-N-CA 126.841 2.056 . . . . 0.0 111.752 176.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 71.2 m -61.3 -18.0 56.39 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-O 114.399 -2.715 . . . . 0.0 112.792 172.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.45 -11.9 49.92 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 125.347 1.654 . . . . 0.0 115.884 173.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -48.97 162.85 0.1 Allowed 'General case' 0 CA--C 1.593 2.618 0 O-C-N 117.83 -3.159 . . . . 0.0 110.024 161.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -57.14 156.92 6.56 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-O 127.49 3.519 . . . . 0.0 110.342 -174.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.8 m -102.93 138.17 40.17 Favored 'General case' 0 N--CA 1.483 1.191 0 O-C-N 117.181 -3.449 . . . . 0.0 110.006 -172.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 9.1 pt -134.73 -172.57 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.715 0 C-N-CA 126.435 1.894 . . . . 0.0 112.557 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.9 ptt-85 -122.0 160.27 25.26 Favored 'General case' 0 C--O 1.255 1.382 0 CA-C-N 120.366 1.439 . . . . 0.0 114.743 166.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 90.7 m -134.56 169.6 13.43 Favored Pre-proline 0 C--N 1.285 -2.202 0 O-C-N 125.93 2.019 . . . . 0.0 110.875 -170.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -62.39 -34.7 75.97 Favored 'Trans proline' 0 N--CA 1.422 -2.7 0 N-CA-C 116.594 1.728 . . . . 0.0 116.594 -169.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 50.4 m170 -122.53 53.34 1.26 Allowed 'General case' 0 CA--C 1.561 1.395 0 CA-C-O 126.639 3.114 . . . . 0.0 111.901 -170.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -134.57 -2.29 2.73 Favored 'General case' 0 C--O 1.267 1.99 1 O-C-N 114.32 -5.237 . . . . 0.0 114.401 -142.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . 0.258 38.8 ptt180 -52.69 -36.03 56.51 Favored 'General case' 0 CA--C 1.556 1.202 0 N-CA-C 118.806 2.891 . . . . 0.0 118.806 -172.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 62.8 p -81.64 -3.24 52.95 Favored 'General case' 0 CA--C 1.483 -1.621 0 C-N-CA 129.592 3.157 . . . . 0.0 112.619 -166.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.301 2.7 pt? -134.19 -17.24 2.11 Favored 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 115.528 -2.177 . . . . 0.0 112.81 159.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.271 59.8 t30 31.59 46.52 0.05 Allowed 'General case' 0 CA--C 1.586 2.354 0 C-N-CA 127.091 2.156 . . . . 0.0 112.551 -167.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -149.8 125.95 10.67 Favored 'General case' 0 CA--C 1.571 1.755 0 O-C-N 128.082 3.364 . . . . 0.0 108.403 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 32.0 p -148.87 162.47 39.77 Favored 'General case' 0 N--CA 1.496 1.862 1 O-C-N 116.201 -4.062 . . . . 0.0 112.43 169.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -140.18 150.18 43.88 Favored 'General case' 0 N--CA 1.508 2.47 1 O-C-N 115.594 -4.441 . . . . 0.0 109.178 -171.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -126.61 140.84 52.12 Favored 'General case' 0 CA--C 1.615 3.462 0 C-N-CA 125.997 1.719 . . . . 0.0 110.886 -173.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 51.3 p -56.43 141.92 40.46 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 117.81 2.522 . . . . 0.0 117.81 -177.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.9 mtt-85 -75.53 -10.68 59.66 Favored 'General case' 0 N--CA 1.532 3.658 0 CA-C-N 110.233 -3.167 . . . . 0.0 109.922 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -162.71 166.29 24.57 Favored 'General case' 0 N--CA 1.514 2.73 0 C-N-CA 131.366 3.866 . . . . 0.0 114.751 -176.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 -77.93 158.08 29.5 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.591 1.956 . . . . 0.0 107.424 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.0 m -135.7 152.25 75.75 Favored Pre-proline 0 C--O 1.276 2.451 0 O-C-N 119.582 -1.949 . . . . 0.0 107.712 176.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -63.76 145.04 90.47 Favored 'Trans proline' 0 CA--C 1.473 -2.57 0 C-N-CA 121.887 1.725 . . . . 0.0 110.323 167.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 pp -154.66 175.52 13.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 117.467 -3.271 . . . . 0.0 108.721 -174.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.9 tp -149.51 112.27 4.8 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-O 127.179 3.371 . . . . 0.0 106.906 -175.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -86.68 151.09 23.71 Favored 'General case' 0 C--N 1.384 2.07 0 C-N-CA 129.511 3.125 . . . . 0.0 108.873 173.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 99.2 m -137.75 142.5 40.95 Favored 'General case' 0 N--CA 1.508 2.439 0 CA-C-N 111.859 -2.428 . . . . 0.0 111.355 -178.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . 0.271 13.8 t0 -139.55 154.09 47.57 Favored 'General case' 0 CA--C 1.568 1.672 0 CA-C-N 113.98 -1.464 . . . . 0.0 114.061 -171.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.9 tp -103.78 138.77 39.93 Favored 'General case' 0 C--O 1.304 3.941 0 N-CA-C 104.625 -2.361 . . . . 0.0 104.625 -169.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.332 1.2 pp -81.82 -23.95 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.136 0 O-C-N 119.657 -1.902 . . . . 0.0 112.136 -173.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -123.3 83.83 52.08 Favored Pre-proline 0 CA--C 1.493 -1.212 0 O-C-N 118.979 -2.326 . . . . 0.0 111.225 -172.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . 0.25 26.3 Cg_exo -47.67 19.98 0.01 OUTLIER 'Trans proline' 0 N--CA 1.515 2.783 1 C-N-CA 127.193 5.262 . . . . 0.0 120.148 177.905 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -133.86 -10.43 1.79 Allowed Glycine 0 C--O 1.193 -2.409 0 C-N-CA 127.795 2.617 . . . . 0.0 115.785 170.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.03 133.56 55.48 Favored 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 126.444 1.897 . . . . 0.0 111.593 164.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -141.96 -4.22 1.07 Allowed 'General case' 0 CA--C 1.593 2.622 0 CA-C-O 113.804 -2.998 . . . . 0.0 111.73 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -115.75 136.45 53.04 Favored 'General case' 0 CA--C 1.562 1.442 0 CA-C-N 125.035 3.561 . . . . 0.0 111.405 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 29.1 pt -48.9 -37.59 9.39 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.875 0 C-N-CA 129.285 3.034 . . . . 0.0 113.011 -175.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.2 p -51.49 -19.2 1.33 Allowed 'General case' 0 N--CA 1.508 2.454 0 O-C-N 116.729 -3.732 . . . . 0.0 116.297 165.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -137.82 -22.28 1.09 Allowed 'General case' 0 CA--C 1.59 2.485 0 CA-C-N 121.125 1.784 . . . . 0.0 114.004 -165.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 77.7 m -69.47 132.31 46.12 Favored 'General case' 0 C--O 1.278 2.583 0 C-N-CA 128.423 2.689 . . . . 0.0 115.766 173.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -139.7 153.56 47.26 Favored 'General case' 0 C--N 1.386 2.183 0 C-N-CA 128.049 2.539 . . . . 0.0 109.182 -177.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -128.29 166.19 19.09 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 116.958 2.207 . . . . 0.0 116.958 -169.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -148.95 159.3 44.33 Favored 'General case' 0 N--CA 1.513 2.679 0 N-CA-C 107.038 -1.468 . . . . 0.0 107.038 170.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -85.9 146.69 26.6 Favored 'General case' 0 CA--C 1.488 -1.405 0 C-N-CA 129.86 3.264 . . . . 0.0 112.841 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -141.66 75.43 21.87 Favored Pre-proline 0 C--N 1.352 0.697 0 O-C-N 118.825 -2.422 . . . . 0.0 107.573 167.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -58.4 157.8 25.21 Favored 'Trans proline' 0 C--N 1.398 3.169 0 N-CA-C 117.332 2.012 . . . . 0.0 117.332 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -166.46 -175.93 37.16 Favored Glycine 0 C--N 1.369 2.364 0 N-CA-C 120.343 2.897 . . . . 0.0 120.343 -173.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -151.92 103.98 2.96 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 127.296 2.239 . . . . 0.0 113.979 172.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 59.8 mtm-85 -138.57 166.16 25.03 Favored 'General case' 0 N--CA 1.52 3.05 0 O-C-N 118.458 -2.651 . . . . 0.0 114.741 -175.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -70.18 167.03 18.73 Favored 'General case' 0 N--CA 1.519 2.978 0 CA-C-N 120.191 1.36 . . . . 0.0 109.208 164.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -139.17 160.41 39.86 Favored 'General case' 0 C--N 1.381 1.937 1 O-C-N 114.669 -5.019 . . . . 0.0 117.249 177.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 25.2 t -132.78 133.99 58.76 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 CA-C-N 109.905 -3.316 . . . . 0.0 110.231 -174.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.5 m -136.34 147.16 27.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 124.744 1.278 . . . . 0.0 112.298 -173.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -95.23 157.77 15.75 Favored 'General case' 0 N--CA 1.521 3.088 0 O-C-N 118.131 -2.855 . . . . 0.0 108.902 158.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 30.4 m -150.25 143.9 25.25 Favored 'General case' 0 CA--C 1.584 2.254 0 C-N-CA 128.578 2.751 . . . . 0.0 111.519 -162.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -152.21 165.76 33.84 Favored 'General case' 0 CA--C 1.589 2.478 0 CA-C-N 121.164 1.802 . . . . 0.0 113.686 -168.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -48.44 137.71 11.1 Favored 'General case' 0 C--O 1.259 1.553 0 C-N-CA 126.48 1.912 . . . . 0.0 111.529 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -42.09 152.58 0.08 Allowed 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 121.464 3.876 . . . . 0.0 121.464 170.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -70.87 122.56 87.22 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 118.504 -2.623 . . . . 0.0 107.812 164.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -48.74 -34.93 29.0 Favored 'Trans proline' 0 C--N 1.368 1.583 1 C-N-CA 125.713 4.275 . . . . 0.0 117.872 -177.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 -110.35 18.26 20.03 Favored 'General case' 0 N--CA 1.507 2.377 0 O-C-N 120.692 -1.255 . . . . 0.0 112.102 -168.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -144.78 146.29 32.06 Favored 'General case' 0 N--CA 1.419 -1.978 0 O-C-N 118.484 -2.635 . . . . 0.0 113.707 -172.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . 0.318 6.5 m 50.28 51.46 10.7 Favored Pre-proline 0 CA--C 1.595 2.685 0 N-CA-C 119.515 3.154 . . . . 0.0 119.515 161.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -86.57 19.26 1.42 Allowed 'Trans proline' 0 C--N 1.383 2.377 0 CA-C-N 121.351 1.518 . . . . 0.0 112.87 -160.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -75.1 0.59 15.65 Favored 'General case' 0 CA--C 1.571 1.765 0 O-C-N 118.066 -2.896 . . . . 0.0 116.014 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -146.83 153.27 46.04 Favored Pre-proline 0 C--N 1.377 1.787 0 O-C-N 128.105 3.378 . . . . 0.0 110.291 175.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -84.26 -15.31 6.6 Favored 'Trans proline' 0 C--O 1.266 1.884 1 C-N-CA 126.546 4.83 . . . . 0.0 112.929 173.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 9.3 m -133.39 166.26 29.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 CA-C-N 118.93 0.786 . . . . 0.0 112.268 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 22.2 m -147.04 153.5 45.47 Favored Pre-proline 0 N--CA 1.535 3.795 0 C-N-CA 126.872 2.069 . . . . 0.0 109.816 -176.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -63.31 152.04 81.86 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 124.679 3.586 . . . . 0.0 113.407 170.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 22.9 m -141.7 -11.33 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.523 3.217 0 C-N-CA 115.665 -2.414 . . . . 0.0 116.389 -177.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -164.19 145.65 8.63 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 113.647 -1.615 . . . . 0.0 112.26 -177.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 20.6 tp -102.18 134.13 45.93 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 116.23 -1.843 . . . . 0.0 113.867 172.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -103.28 -54.28 2.64 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 124.974 1.421 . . . . 0.0 110.819 -171.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.9 t -161.06 169.96 21.43 Favored 'General case' 0 C--N 1.379 1.851 0 CA-C-N 114.232 -1.349 . . . . 0.0 112.387 -175.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 43.1 p -137.28 143.75 42.33 Favored 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 126.161 2.163 . . . . 0.0 110.766 165.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.253 0.2 OUTLIER . . . . . 0 C--O 1.269 2.112 0 N-CA-C 117.331 2.345 . . . . 0.0 117.331 -161.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo . . . . . 0 CA--C 1.572 2.402 0 N-CA-C 115.287 1.226 . . . . 0.0 115.287 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -70.22 -11.21 29.82 Favored 'Trans proline' 0 N--CA 1.416 -3.08 0 C-N-CA 122.844 2.362 . . . . 0.0 112.954 -159.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -145.96 24.18 1.34 Allowed 'General case' 0 CA--C 1.624 3.806 0 O-C-N 119.516 -1.99 . . . . 0.0 113.716 166.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -140.48 155.94 46.51 Favored 'General case' 0 CA--C 1.555 1.146 1 CA-C-O 128.588 4.042 . . . . 0.0 111.58 -175.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.3 p -71.6 159.34 34.6 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 116.31 -3.994 . . . . 0.0 113.418 145.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -60.56 -49.46 77.44 Favored 'General case' 0 C--N 1.361 1.085 0 CA-C-O 111.724 -3.989 . . . . 0.0 111.375 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . 0.277 . . -45.25 -53.15 8.69 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 127.618 3.074 . . . . 0.0 112.11 172.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -65.94 -35.26 80.12 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 119.79 -1.819 . . . . 0.0 114.617 -178.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -80.09 -32.55 39.22 Favored 'General case' 0 N--CA 1.499 2.02 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.254 174.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -59.76 -36.02 75.79 Favored 'General case' 0 C--O 1.275 2.434 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 164.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.28 -52.39 14.14 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 120.596 -1.315 . . . . 0.0 109.974 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.8 mt -56.79 -32.0 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.556 0 O-C-N 116.505 -3.872 . . . . 0.0 109.702 -178.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -81.14 -18.9 44.8 Favored 'General case' 0 N--CA 1.519 2.992 0 N-CA-C 116.95 2.204 . . . . 0.0 116.95 176.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -153.84 -9.0 0.15 Allowed 'General case' 0 C--O 1.187 -2.219 0 CA-C-O 113.803 -2.998 . . . . 0.0 116.388 -168.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.4 mm -134.91 102.18 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 127.956 3.285 . . . . 0.0 108.381 -176.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.1 m -154.01 104.73 2.67 Favored 'General case' 0 N--CA 1.486 1.346 1 O-C-N 129.771 4.419 . . . . 0.0 107.071 -159.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.7 tp -76.83 -31.27 56.78 Favored 'General case' 0 C--O 1.253 1.28 0 CA-C-O 114.699 -2.572 . . . . 0.0 113.245 -165.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -143.36 50.83 1.47 Allowed Pre-proline 0 N--CA 1.512 2.631 0 CA-C-N 121.903 2.138 . . . . 0.0 110.893 -173.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -69.26 161.25 46.6 Favored 'Trans proline' 0 C--N 1.296 -2.198 1 C-N-CA 129.368 6.712 . . . . 0.0 116.817 -166.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -81.7 179.89 5.37 Favored 'Trans proline' 0 N--CA 1.413 -3.215 0 C-N-CA 124.558 3.505 . . . . 0.0 108.923 173.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -73.09 172.41 11.1 Favored 'General case' 0 C--N 1.374 1.651 0 C-N-CA 118.36 -1.336 . . . . 0.0 110.987 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 77.1 m -60.82 -25.65 66.76 Favored 'General case' 0 CA--C 1.575 1.91 0 CA-C-O 114.516 -2.659 . . . . 0.0 111.169 -177.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.4 p -47.95 -31.5 5.31 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 128.355 2.662 . . . . 0.0 112.36 168.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.3 mm -115.21 -47.01 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 CA-C-O 122.927 1.346 . . . . 0.0 110.544 -177.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.7 -28.58 68.75 Favored 'General case' 0 C--O 1.267 1.983 0 C-N-CA 130.391 3.476 . . . . 0.0 111.01 -168.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 87.3 mmm -64.49 -32.46 74.1 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 173.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -56.62 -29.58 62.35 Favored 'General case' 0 N--CA 1.509 2.515 0 O-C-N 124.385 1.053 . . . . 0.0 113.229 -166.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -12.61 15.49 Favored 'General case' 0 C--O 1.252 1.227 0 C-N-CA 126.95 2.1 . . . . 0.0 113.928 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.5 pt -129.02 -38.22 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 N-CA-C 104.997 -2.223 . . . . 0.0 104.997 173.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -78.28 -28.44 47.58 Favored 'General case' 0 N--CA 1.511 2.597 0 CA-C-N 123.57 2.896 . . . . 0.0 114.044 -171.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -89.69 -33.88 16.45 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 165.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -80.06 -37.24 34.28 Favored 'General case' 0 C--O 1.169 -3.175 0 C-N-CA 127.648 2.379 . . . . 0.0 111.211 -174.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 -86.42 167.42 14.72 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 124.706 1.202 . . . . 0.0 111.406 170.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.22 -12.04 60.45 Favored 'General case' 0 N--CA 1.52 3.041 0 N-CA-C 117.489 2.403 . . . . 0.0 117.489 -165.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -152.13 153.2 33.42 Favored 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 130.707 3.603 . . . . 0.0 107.287 -174.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 83.4 m -57.37 124.4 18.78 Favored 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 130.21 3.404 . . . . 0.0 115.703 162.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -75.17 145.0 42.47 Favored 'General case' 0 CA--C 1.589 2.457 0 C-N-CA 125.484 1.513 . . . . 0.0 114.272 163.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -78.1 -30.25 49.4 Favored 'General case' 0 C--N 1.297 -1.705 0 C-N-CA 129.754 3.221 . . . . 0.0 110.842 -169.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -151.57 150.22 30.06 Favored 'General case' 0 CA--C 1.612 3.333 1 C-N-CA 132.715 4.406 . . . . 0.0 114.154 -174.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -147.87 169.07 20.62 Favored 'General case' 0 C--O 1.205 -1.255 0 C-N-CA 117.08 -1.848 . . . . 0.0 115.393 158.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.8 m -129.77 132.33 46.52 Favored 'General case' 0 N--CA 1.507 2.417 0 C-N-CA 127.365 2.266 . . . . 0.0 110.966 169.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -119.48 135.3 54.83 Favored 'General case' 0 N--CA 1.443 -0.82 0 O-C-N 123.956 0.785 . . . . 0.0 112.009 164.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.1 mp -98.33 133.95 42.02 Favored 'General case' 0 N--CA 1.392 -3.333 0 CA-C-O 124.153 1.93 . . . . 0.0 107.65 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . 0.259 71.5 mtp180 -76.66 56.43 1.14 Allowed 'General case' 0 C--O 1.194 -1.822 0 N-CA-C 118.428 2.751 . . . . 0.0 118.428 167.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.3 t -133.0 178.84 6.57 Favored 'General case' 0 CA--C 1.577 2.013 0 C-N-CA 124.296 1.038 . . . . 0.0 113.737 172.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.7 p -97.59 157.93 15.76 Favored 'General case' 0 C--N 1.289 -2.064 0 O-C-N 118.171 -2.83 . . . . 0.0 107.698 -169.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -56.9 -40.65 76.66 Favored 'General case' 0 CA--C 1.59 2.496 0 C-N-CA 127.393 2.277 . . . . 0.0 111.705 175.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.65 91.57 Favored 'General case' 0 C--O 1.2 -1.531 0 CA-C-O 117.893 -1.051 . . . . 0.0 112.253 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -49.35 -42.31 41.47 Favored 'General case' 0 C--O 1.268 2.051 0 C-N-CA 125.088 1.355 . . . . 0.0 110.631 171.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . 0.287 1.4 t -63.69 -50.16 79.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 CA-C-O 115.263 -2.303 . . . . 0.0 115.323 173.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.2 t -55.42 -27.01 20.09 Favored 'Isoleucine or valine' 0 C--O 1.269 2.109 0 O-C-N 126.788 2.555 . . . . 0.0 116.943 175.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -68.31 -53.77 22.03 Favored 'General case' 0 C--N 1.374 1.655 0 C-N-CA 128.64 2.776 . . . . 0.0 111.021 167.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.0 t -55.38 -35.31 36.63 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.333 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 171.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 80.3 m -63.32 5.16 0.18 Allowed 'General case' 0 N--CA 1.517 2.894 0 C-N-CA 127.898 2.479 . . . . 0.0 113.973 166.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -132.41 5.13 5.24 Favored Glycine 0 CA--C 1.541 1.689 0 CA-C-N 121.681 2.037 . . . . 0.0 110.782 173.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -66.89 167.97 10.63 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 115.813 1.782 . . . . 0.0 115.813 167.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -47.73 140.98 5.85 Favored 'General case' 0 N--CA 1.406 -2.665 0 N-CA-C 117.727 2.492 . . . . 0.0 117.727 175.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.4 m -91.37 115.33 27.95 Favored 'General case' 0 N--CA 1.5 2.043 0 C-N-CA 126.459 1.903 . . . . 0.0 110.379 -169.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 18.8 pt -124.12 -175.02 1.04 Allowed 'Isoleucine or valine' 0 C--O 1.259 1.601 0 O-C-N 125.631 1.832 . . . . 0.0 114.973 170.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -124.3 161.99 24.7 Favored 'General case' 0 C--O 1.267 1.994 0 O-C-N 125.247 1.592 . . . . 0.0 106.746 172.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 85.4 m -133.56 165.8 34.04 Favored Pre-proline 0 N--CA 1.4 -2.945 0 O-C-N 117.972 -2.955 . . . . 0.0 111.105 -169.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -84.55 5.63 6.18 Favored 'Trans proline' 0 N--CA 1.501 1.912 0 C-N-CA 123.827 3.018 . . . . 0.0 115.463 -175.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -136.85 34.92 2.62 Favored 'General case' 0 N--CA 1.518 2.965 0 O-C-N 117.816 -3.053 . . . . 0.0 111.787 169.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -126.15 1.72 7.17 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-O 115.894 -2.003 . . . . 0.0 113.224 -162.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.6 ptt85 -59.1 -20.76 56.42 Favored 'General case' 0 N--CA 1.514 2.73 0 C-N-CA 127.206 2.202 . . . . 0.0 114.853 -165.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.5 p -70.04 -11.92 61.23 Favored 'General case' 0 N--CA 1.528 3.463 0 N-CA-C 117.107 2.262 . . . . 0.0 117.107 175.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -144.61 -8.66 0.65 Allowed 'General case' 0 C--N 1.38 1.925 0 N-CA-C 118.736 2.865 . . . . 0.0 118.736 161.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 62.1 t30 56.24 43.82 25.93 Favored 'General case' 0 C--O 1.166 -3.301 1 CA-C-N 126.152 4.069 . . . . 0.0 111.385 165.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -166.47 102.27 0.6 Allowed 'General case' 0 C--N 1.357 0.895 0 CA-C-N 111.269 -2.696 . . . . 0.0 107.064 -169.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.0 p -140.93 174.43 10.53 Favored 'General case' 0 N--CA 1.524 3.259 0 O-C-N 125.18 1.55 . . . . 0.0 107.703 173.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -140.64 152.44 45.4 Favored 'General case' 0 N--CA 1.515 2.814 0 CA-C-O 113.936 -2.935 . . . . 0.0 114.447 -177.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -126.45 153.29 45.26 Favored 'General case' 0 CA--C 1.491 -1.297 0 CA-C-N 122.385 2.357 . . . . 0.0 110.856 177.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.518 ' HB3' ' CE2' ' A' ' 107' ' ' TYR . 73.3 p -67.02 143.58 56.68 Favored 'General case' 0 N--CA 1.427 -1.606 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 -173.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.4 mtt-85 -56.95 -36.31 70.13 Favored 'General case' 0 C--O 1.26 1.652 0 C-N-CA 127.316 2.247 . . . . 0.0 112.871 173.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -135.33 -176.2 4.19 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-O 125.611 2.624 . . . . 0.0 111.454 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 -79.97 151.55 29.99 Favored 'General case' 0 C--N 1.377 1.77 0 O-C-N 119.374 -2.079 . . . . 0.0 109.331 168.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.0 m -132.11 159.9 70.19 Favored Pre-proline 0 C--N 1.362 1.119 0 O-C-N 123.941 0.775 . . . . 0.0 112.211 167.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.08 153.5 74.8 Favored 'Trans proline' 0 C--N 1.386 2.513 0 C-N-CA 124.576 3.518 . . . . 0.0 113.616 171.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.5 pp -156.47 171.62 19.96 Favored 'General case' 0 CA--C 1.594 2.637 0 C-N-CA 126.187 1.795 . . . . 0.0 115.837 -178.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 63.7 tp -125.93 117.3 23.0 Favored 'General case' 0 CA--C 1.559 1.308 0 O-C-N 126.359 2.287 . . . . 0.0 115.939 160.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -85.6 153.1 22.62 Favored 'General case' 0 C--O 1.253 1.267 0 CA-C-N 120.96 1.709 . . . . 0.0 111.377 162.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 86.6 m -143.05 153.86 43.37 Favored 'General case' 0 CA--C 1.585 2.305 0 O-C-N 125.637 1.835 . . . . 0.0 111.927 -173.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.457 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 20.2 t70 -152.84 129.52 10.82 Favored 'General case' 0 N--CA 1.398 -3.056 0 C-N-CA 124.665 1.186 . . . . 0.0 110.193 -154.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.3 tp -76.16 95.59 3.71 Favored 'General case' 0 N--CA 1.42 -1.964 0 CA-C-O 113.606 -3.093 . . . . 0.0 113.756 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.3 pt -54.71 -21.28 6.91 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.73 0 CA-C-N 124.788 3.449 . . . . 0.0 117.934 -172.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -127.28 111.91 21.37 Favored Pre-proline 0 C--O 1.275 2.446 0 CA-C-O 123.546 1.641 . . . . 0.0 110.324 157.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_exo -62.38 -22.93 74.76 Favored 'Trans proline' 0 N--CA 1.502 2.005 0 C-N-CA 124.113 3.208 . . . . 0.0 113.745 173.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -60.35 -7.04 6.64 Favored Glycine 0 C--N 1.355 1.621 0 CA-C-O 113.426 -3.986 . . . . 0.0 118.802 167.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.15 138.98 31.03 Favored 'General case' 0 CA--C 1.592 2.588 0 O-C-N 128.655 3.209 . . . . 0.0 109.865 -166.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -141.64 -40.05 0.38 Allowed 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 118.501 2.778 . . . . 0.0 118.501 -174.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -83.64 138.52 33.3 Favored 'General case' 0 C--O 1.266 1.953 0 C-N-CA 129.435 3.094 . . . . 0.0 114.746 155.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.8 pt -48.43 -13.36 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.576 1.959 0 N-CA-C 120.183 3.401 . . . . 0.0 120.183 174.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.5 p -72.38 -14.05 61.62 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 126.855 2.062 . . . . 0.0 114.13 176.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -128.4 -24.13 3.12 Favored 'General case' 0 CA--C 1.477 -1.831 0 C-N-CA 124.541 1.136 . . . . 0.0 109.237 176.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 57.3 m -68.5 121.84 17.2 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 117.027 -3.546 . . . . 0.0 113.684 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -149.79 166.87 28.14 Favored 'General case' 0 C--O 1.255 1.374 0 C-N-CA 129.133 2.973 . . . . 0.0 105.978 -173.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.457 ' HA ' ' O ' ' A' ' 84' ' ' ASP . 51.4 m-85 -149.38 160.84 43.09 Favored 'General case' 0 CA--C 1.581 2.144 0 O-C-N 119.817 -1.802 . . . . 0.0 107.794 -152.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -147.75 159.69 43.53 Favored 'General case' 0 N--CA 1.405 -2.694 0 CA-C-O 122.754 1.264 . . . . 0.0 111.058 168.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -97.93 148.39 23.5 Favored 'General case' 0 CA--C 1.578 2.052 0 C-N-CA 126.834 2.054 . . . . 0.0 105.461 -149.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -143.18 88.72 8.03 Favored Pre-proline 0 CA--C 1.583 2.239 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.142 164.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -62.79 154.23 67.39 Favored 'Trans proline' 0 C--N 1.384 2.411 0 C-N-CA 122.267 1.978 . . . . 0.0 112.082 175.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -166.3 -172.22 33.37 Favored Glycine 1 CA--C 1.582 4.251 0 O-C-N 119.197 -2.189 . . . . 0.0 111.195 178.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -157.86 104.32 1.93 Allowed 'General case' 0 C--O 1.278 2.603 0 C-N-CA 128.992 2.917 . . . . 0.0 106.932 -176.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 80.6 mtm-85 -142.64 166.23 25.21 Favored 'General case' 0 N--CA 1.501 2.106 0 C-N-CA 125.878 1.671 . . . . 0.0 113.452 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -70.32 171.89 9.17 Favored 'General case' 0 CA--C 1.584 2.264 0 C-N-CA 128.649 2.78 . . . . 0.0 109.787 156.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.518 ' CE2' ' HB3' ' A' ' 74' ' ' SER . 37.2 p90 -148.61 167.71 24.72 Favored 'General case' 0 C--O 1.3 3.735 0 O-C-N 119.688 -1.882 . . . . 0.0 115.237 -175.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.1 t -132.66 135.96 56.65 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.642 0 CA-C-O 122.666 1.222 . . . . 0.0 108.613 175.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.6 m -135.67 148.43 28.18 Favored 'Isoleucine or valine' 0 C--N 1.385 2.146 0 O-C-N 120.832 -1.167 . . . . 0.0 109.441 -174.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -101.56 153.3 19.86 Favored 'General case' 0 N--CA 1.5 2.055 0 C-N-CA 116.177 -2.209 . . . . 0.0 105.701 164.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 12.5 m -134.47 173.72 11.34 Favored 'General case' 0 C--O 1.271 2.191 0 N-CA-C 116.56 2.059 . . . . 0.0 116.56 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . 0.255 25.3 t0 -152.99 164.44 37.97 Favored 'General case' 0 C--O 1.262 1.74 0 O-C-N 127.068 2.73 . . . . 0.0 111.175 -171.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -88.31 170.16 11.22 Favored 'General case' 0 CA--C 1.579 2.087 0 CA-C-O 115.947 -1.978 . . . . 0.0 111.953 -162.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -63.87 128.39 35.6 Favored 'General case' 0 CA--C 1.562 1.413 0 CA-C-N 121.386 1.903 . . . . 0.0 111.906 -174.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -71.71 129.74 88.02 Favored Pre-proline 0 N--CA 1.504 2.246 0 CA-C-O 116.883 -1.532 . . . . 0.0 111.032 171.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -64.65 -13.01 36.54 Favored 'Trans proline' 0 CA--C 1.573 2.427 0 C-N-CA 123.062 2.508 . . . . 0.0 112.78 -172.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 44.3 mtm180 -111.71 9.08 20.92 Favored 'General case' 0 CA--C 1.565 1.548 0 CA-C-O 113.597 -3.096 . . . . 0.0 114.884 172.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -146.38 151.12 36.95 Favored 'General case' 0 CA--C 1.593 2.597 0 CA-C-N 122.591 2.451 . . . . 0.0 114.581 174.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.6 m 55.36 43.35 1.27 Allowed Pre-proline 0 N--CA 1.515 2.789 0 C-N-CA 126.223 1.809 . . . . 0.0 115.082 169.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -56.28 -11.07 5.46 Favored 'Trans proline' 0 CA--C 1.563 1.975 0 N-CA-C 118.081 2.3 . . . . 0.0 118.081 -176.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -74.64 -14.76 60.8 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 119.477 -2.014 . . . . 0.0 112.107 -177.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -130.46 142.47 45.58 Favored Pre-proline 0 CA--C 1.585 2.318 0 CA-C-N 120.336 1.426 . . . . 0.0 111.401 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.86 -16.34 18.41 Favored 'Trans proline' 0 CA--C 1.576 2.584 0 O-C-N 115.834 -2.771 . . . . 0.0 115.191 -176.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.4 m -141.0 154.09 20.89 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.162 0 O-C-N 127.531 3.019 . . . . 0.0 112.708 -172.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 17.2 m -131.79 151.72 79.07 Favored Pre-proline 0 CA--C 1.58 2.099 0 CA-C-N 123.813 3.006 . . . . 0.0 110.948 171.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.9 158.34 34.74 Favored 'Trans proline' 0 N--CA 1.521 3.146 0 C-N-CA 122.558 2.172 . . . . 0.0 113.645 172.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 35.7 m -138.63 -27.49 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.443 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -173.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -153.06 156.42 38.72 Favored 'General case' 0 C--N 1.282 -2.367 0 C-N-CA 131.508 3.923 . . . . 0.0 115.268 -176.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.13 130.02 40.61 Favored 'General case' 0 C--O 1.251 1.144 0 CA-C-N 124.036 3.107 . . . . 0.0 105.614 176.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -85.52 -48.96 8.45 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 129.119 2.967 . . . . 0.0 115.958 -177.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.7 t -165.05 -174.51 3.32 Favored 'General case' 0 C--O 1.192 -1.957 0 C-N-CA 125.49 1.516 . . . . 0.0 114.278 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 78.2 p -132.85 144.05 49.94 Favored 'General case' 0 C--O 1.286 2.986 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.098 165.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.276 0.2 OUTLIER . . . . . 0 N--CA 1.516 2.846 0 N-CA-C 120.185 3.402 . . . . 0.0 120.185 -176.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo . . . . . 0 N--CA 1.443 -1.493 0 CA-C-O 117.63 -1.071 . . . . 0.0 114.344 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -44.03 -20.19 0.27 Allowed 'Trans proline' 1 N--CA 1.38 -5.167 1 C-N-CA 127.517 5.478 . . . . 0.0 122.332 -179.567 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -157.77 13.37 0.22 Allowed 'General case' 0 CA--C 1.581 2.156 0 O-C-N 119.133 -2.23 . . . . 0.0 115.245 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -140.01 169.19 18.16 Favored 'General case' 0 CA--C 1.59 2.519 0 C-N-CA 126.884 2.074 . . . . 0.0 108.598 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 53.2 p -89.8 157.55 17.89 Favored 'General case' 0 N--CA 1.507 2.418 0 CA-C-O 123.676 1.703 . . . . 0.0 112.958 157.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -48.72 -32.86 9.13 Favored 'General case' 0 C--N 1.406 3.045 0 O-C-N 119.597 -1.94 . . . . 0.0 114.012 174.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.66 -44.33 64.47 Favored 'General case' 0 CA--C 1.566 1.576 0 C-N-CA 128.961 2.904 . . . . 0.0 110.233 176.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -70.15 -41.41 73.9 Favored 'General case' 0 CA--C 1.558 1.265 0 CA-C-O 125.709 2.671 . . . . 0.0 111.463 -177.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.348 65.1 t-105 -71.1 -27.11 63.36 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 116.483 -3.886 . . . . 0.0 114.093 174.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -61.06 -50.4 73.44 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 119.408 -2.058 . . . . 0.0 109.807 161.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.27 -48.47 80.35 Favored 'General case' 0 C--N 1.371 1.54 0 N-CA-C 117.977 2.584 . . . . 0.0 117.977 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . 0.255 27.6 mt -57.68 -34.44 47.6 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.07 0 C-N-CA 127.773 2.429 . . . . 0.0 116.767 172.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -78.33 -22.09 48.57 Favored 'General case' 0 C--N 1.286 -2.183 0 CA-C-O 117.526 -1.226 . . . . 0.0 114.163 170.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.356 93.6 m-70 -137.26 -32.34 0.78 Allowed 'General case' 0 N--CA 1.505 2.277 0 N-CA-C 119.718 3.229 . . . . 0.0 119.718 -159.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.9 mm -119.49 113.62 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 117.889 -3.007 . . . . 0.0 114.027 -169.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -157.52 111.29 2.57 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-N 111.034 -2.803 . . . . 0.0 105.281 -170.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.287 13.1 tp -59.15 -15.62 15.51 Favored 'General case' 0 CA--C 1.565 1.546 0 N-CA-C 118.23 2.678 . . . . 0.0 118.23 175.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -156.28 67.31 4.51 Favored Pre-proline 0 C--N 1.407 3.072 0 CA-C-O 126.589 3.09 . . . . 0.0 114.147 173.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -66.92 132.63 28.81 Favored 'Trans proline' 0 C--O 1.283 2.77 1 C-N-CA 128.095 5.863 . . . . 0.0 110.635 -174.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -68.32 -176.52 1.13 Allowed 'Trans proline' 0 C--O 1.186 -2.095 0 C-N-CA 124.93 3.754 . . . . 0.0 109.989 -174.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 56.3 mmt-85 -45.71 140.25 3.56 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 126.993 3.283 . . . . 0.0 108.27 164.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 55.4 m -66.01 -26.84 67.72 Favored 'General case' 0 CA--C 1.582 2.189 0 O-C-N 117.394 -3.316 . . . . 0.0 109.632 -178.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.0 p -38.91 -46.12 1.27 Allowed 'General case' 0 C--O 1.177 -2.731 0 C-N-CA 126.462 1.905 . . . . 0.0 114.595 159.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.1 mm -89.25 -54.19 8.13 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.51 0 CA-C-O 116.492 -1.718 . . . . 0.0 110.317 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.49 -42.74 83.3 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 116.947 -1.501 . . . . 0.0 108.552 -169.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 27.2 mmm -48.81 -36.81 17.55 Favored 'General case' 0 N--CA 1.426 -1.667 0 CA-C-N 121.941 2.155 . . . . 0.0 114.97 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -57.27 -31.41 65.57 Favored 'General case' 0 C--O 1.274 2.355 0 C-N-CA 129.282 3.033 . . . . 0.0 112.861 -173.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.53 -29.09 9.78 Favored 'General case' 1 CA--C 1.634 4.192 0 C-N-CA 129.762 3.225 . . . . 0.0 112.452 179.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.9 pt -125.99 -45.14 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.414 -2.25 0 C-N-CA 126.921 2.089 . . . . 0.0 111.946 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -59.41 -11.97 5.24 Favored 'General case' 0 C--O 1.195 -1.798 0 N-CA-C 116.638 2.088 . . . . 0.0 116.638 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -116.74 -2.64 11.84 Favored 'General case' 0 CA--C 1.589 2.476 0 O-C-N 118.249 -2.782 . . . . 0.0 112.836 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -105.34 -4.66 21.26 Favored 'General case' 0 CA--C 1.572 1.812 0 C-N-CA 128.524 2.73 . . . . 0.0 113.083 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -139.13 170.84 15.23 Favored 'General case' 1 N--CA 1.56 5.063 0 C-N-CA 125.606 1.563 . . . . 0.0 110.479 178.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -53.28 -32.51 48.97 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 118.033 2.605 . . . . 0.0 118.033 -173.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -143.73 170.04 16.61 Favored 'General case' 0 C--O 1.2 -1.514 0 CA-C-O 126.633 3.111 . . . . 0.0 110.813 -167.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 89.3 m -79.94 103.26 9.71 Favored 'General case' 0 CA--C 1.565 1.54 0 O-C-N 119.333 -2.105 . . . . 0.0 108.858 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -67.72 136.13 53.8 Favored 'General case' 0 C--N 1.378 1.812 0 N-CA-C 101.812 -3.403 . . . . 0.0 101.812 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -62.02 -47.62 83.95 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 117.911 2.56 . . . . 0.0 117.911 176.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -130.24 157.42 42.55 Favored 'General case' 0 C--N 1.283 -2.317 0 O-C-N 116.939 -3.601 . . . . 0.0 106.859 -177.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -164.45 166.66 20.33 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 125.837 1.96 . . . . 0.0 115.684 159.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.8 m -139.62 133.2 30.35 Favored 'General case' 0 CA--C 1.562 1.425 0 C-N-CA 117.199 -1.8 . . . . 0.0 108.618 -165.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -136.17 109.69 7.97 Favored 'General case' 0 C--O 1.185 -2.309 0 C-N-CA 125.579 1.551 . . . . 0.0 108.86 -165.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -101.02 143.1 31.56 Favored 'General case' 0 CA--C 1.463 -2.402 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 -160.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -95.09 63.75 2.69 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 -171.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.8 t -141.23 -166.59 2.21 Favored 'General case' 0 CA--C 1.572 1.821 0 C-N-CA 126.886 2.074 . . . . 0.0 109.315 -178.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.2 p -141.55 150.4 42.06 Favored 'General case' 0 C--O 1.194 -1.822 0 O-C-N 119.283 -2.135 . . . . 0.0 114.667 -175.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.455 ' CZ ' ' HD2' ' A' ' 126' ' ' PRO . 44.3 t80 -55.04 -51.48 66.17 Favored 'General case' 0 C--O 1.188 -2.158 0 N-CA-C 115.907 1.817 . . . . 0.0 115.907 -165.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.89 -43.83 49.59 Favored 'General case' 0 CA--C 1.569 1.699 0 O-C-N 117.977 -2.952 . . . . 0.0 111.462 166.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -69.43 -21.65 63.73 Favored 'General case' 0 CA--C 1.505 -0.76 0 O-C-N 117.069 -3.519 . . . . 0.0 115.823 174.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 43.2 t -75.8 -40.87 39.76 Favored 'Isoleucine or valine' 0 CA--C 1.61 3.254 0 O-C-N 120.005 -1.685 . . . . 0.0 112.79 168.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.5 t -58.61 -31.12 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 118.032 -2.917 . . . . 0.0 107.472 177.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -56.1 -23.45 34.11 Favored 'General case' 0 N--CA 1.518 2.963 0 CA-C-N 122.995 2.634 . . . . 0.0 116.337 167.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.5 t -76.99 -31.99 19.19 Favored 'Isoleucine or valine' 0 C--N 1.362 1.129 0 O-C-N 116.774 -3.704 . . . . 0.0 112.222 171.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 63.8 m -70.03 -0.23 7.21 Favored 'General case' 0 CA--C 1.579 2.093 0 O-C-N 124.324 1.015 . . . . 0.0 109.027 175.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -109.12 2.12 31.4 Favored Glycine 0 C--O 1.265 2.081 0 C-N-CA 127.857 2.646 . . . . 0.0 111.571 168.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -78.57 -176.58 4.9 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 120.792 2.296 . . . . 0.0 111.44 174.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -61.37 154.59 23.65 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 119.356 -2.09 . . . . 0.0 110.928 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.1 m -84.27 126.74 33.45 Favored 'General case' 0 C--O 1.26 1.627 0 CA-C-O 127.676 3.608 . . . . 0.0 113.968 169.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 14.6 pt -124.68 -179.29 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.843 0 CA-C-N 111.772 -2.467 . . . . 0.0 111.158 166.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -125.37 144.26 50.59 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 -173.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 69.6 m -140.97 155.54 68.81 Favored Pre-proline 0 CA--C 1.578 2.048 0 C-N-CA 126.6 1.96 . . . . 0.0 112.929 -160.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -74.7 -11.74 22.1 Favored 'Trans proline' 0 C--N 1.408 3.659 0 N-CA-C 117.589 2.111 . . . . 0.0 117.589 -170.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -136.49 40.24 2.62 Favored 'General case' 0 N--CA 1.504 2.25 0 C-N-CA 118.324 -1.351 . . . . 0.0 109.843 -174.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -128.21 -4.11 5.58 Favored 'General case' 0 CA--C 1.602 2.953 0 C-N-CA 129.781 3.232 . . . . 0.0 116.273 -159.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -50.1 -35.05 23.96 Favored 'General case' 0 C--O 1.185 -2.319 0 C-N-CA 128.937 2.895 . . . . 0.0 113.134 -164.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.2 p -64.11 -10.7 24.14 Favored 'General case' 0 C--N 1.385 2.134 1 O-C-N 129.211 4.069 . . . . 0.0 118.646 177.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -135.94 -18.28 1.6 Allowed 'General case' 0 C--N 1.381 1.965 0 CA-C-O 115.679 -2.105 . . . . 0.0 111.959 167.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.423 38.9 t-20 60.91 20.69 10.97 Favored 'General case' 0 CA--C 1.569 1.676 1 C-N-CA 131.882 4.073 . . . . 0.0 115.14 -177.944 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -135.75 130.09 33.58 Favored 'General case' 0 C--N 1.28 -2.453 0 C-N-CA 126.523 1.929 . . . . 0.0 110.815 -174.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 30.3 p -154.1 171.99 18.25 Favored 'General case' 0 CA--C 1.59 2.507 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 -178.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -148.15 143.57 27.19 Favored 'General case' 0 N--CA 1.507 2.398 0 O-C-N 118.893 -2.379 . . . . 0.0 108.211 -167.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -113.96 148.76 36.34 Favored 'General case' 0 C--N 1.385 2.149 0 C-N-CA 126.461 1.904 . . . . 0.0 108.65 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.425 ' HB3' ' CD1' ' A' ' 107' ' ' TYR . 82.3 p -71.16 143.11 50.64 Favored 'General case' 0 N--CA 1.501 2.111 0 CA-C-O 125.346 2.498 . . . . 0.0 112.772 -171.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.5 mtt-85 -63.99 -24.51 67.75 Favored 'General case' 0 C--O 1.25 1.1 0 CA-C-O 125.73 2.681 . . . . 0.0 116.079 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -140.36 174.34 10.61 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-O 112.438 -3.649 . . . . 0.0 113.45 -177.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -81.76 150.81 27.74 Favored 'General case' 0 C--O 1.266 1.958 0 O-C-N 127.7 3.125 . . . . 0.0 113.515 166.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 104' ' ' ARG . 3.3 m -119.65 153.49 54.33 Favored Pre-proline 0 C--O 1.274 2.392 0 O-C-N 127.193 2.808 . . . . 0.0 110.628 177.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -68.61 146.61 67.89 Favored 'Trans proline' 0 CA--C 1.557 1.674 0 N-CA-C 104.324 -2.991 . . . . 0.0 104.324 155.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 pp -153.08 154.16 34.29 Favored 'General case' 0 C--O 1.255 1.374 0 O-C-N 119.876 -1.765 . . . . 0.0 111.533 173.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . 0.288 19.1 tp -108.36 110.68 22.31 Favored 'General case' 0 CA--C 1.485 -1.537 0 CA-C-N 112.13 -2.305 . . . . 0.0 110.328 170.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . 0.268 70.7 t60 -88.61 141.73 28.28 Favored 'General case' 0 C--O 1.2 -1.523 0 N-CA-C 102.655 -3.091 . . . . 0.0 102.655 162.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 84.9 m -113.66 154.57 27.02 Favored 'General case' 0 C--N 1.267 -2.992 0 C-N-CA 127.918 2.487 . . . . 0.0 111.983 171.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . 0.262 57.7 t0 -139.5 173.07 11.92 Favored 'General case' 0 N--CA 1.409 -2.521 0 C-N-CA 129.961 3.304 . . . . 0.0 112.238 -178.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.0 tp -128.9 124.86 36.29 Favored 'General case' 0 C--O 1.266 1.969 0 C-N-CA 131.409 3.884 . . . . 0.0 108.25 -172.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.271 29.3 pt -72.73 -16.94 18.18 Favored 'Isoleucine or valine' 0 C--N 1.376 1.75 0 N-CA-C 116.424 2.009 . . . . 0.0 116.424 -171.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -141.46 106.47 6.01 Favored Pre-proline 0 C--O 1.207 -1.155 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . 0.326 9.4 Cg_endo -53.98 -12.83 3.82 Favored 'Trans proline' 1 N--CA 1.551 4.858 1 C-N-CA 126.987 5.125 . . . . 0.0 116.596 167.992 . . . . . . . . 4 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -77.26 -37.35 32.19 Favored Glycine 0 C--O 1.249 1.045 0 O-C-N 125.016 1.448 . . . . 0.0 115.408 173.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -49.94 127.32 16.17 Favored 'General case' 0 C--O 1.271 2.217 0 O-C-N 128.66 3.212 . . . . 0.0 113.49 -177.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . 0.255 40.0 mt-30 -134.64 0.64 3.01 Favored 'General case' 0 N--CA 1.529 3.513 0 O-C-N 118.196 -2.815 . . . . 0.0 116.578 -176.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -131.99 136.27 47.16 Favored 'General case' 0 C--O 1.27 2.18 0 C-N-CA 128.58 2.752 . . . . 0.0 105.597 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 8.8 pt -55.61 -22.05 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.499 0 O-C-N 118.884 -2.385 . . . . 0.0 115.294 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.4 p -65.39 -14.02 59.95 Favored 'General case' 1 N--CA 1.561 5.122 0 C-N-CA 125.645 1.578 . . . . 0.0 114.006 172.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -125.24 -44.1 1.9 Allowed 'General case' 0 N--CA 1.427 -1.606 0 C-N-CA 129.52 3.128 . . . . 0.0 116.906 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 57.8 m -53.6 126.56 22.18 Favored 'General case' 1 C--O 1.311 4.33 1 O-C-N 129.388 4.18 . . . . 0.0 114.597 173.132 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 46.5 mtt180 -148.11 153.86 39.42 Favored 'General case' 0 C--N 1.37 1.469 0 CA-C-O 125.977 2.798 . . . . 0.0 105.116 -172.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -129.97 161.09 31.7 Favored 'General case' 0 N--CA 1.434 -1.275 0 CA-C-N 113.163 -1.835 . . . . 0.0 113.992 -155.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -140.25 146.47 38.65 Favored 'General case' 0 C--O 1.25 1.099 0 O-C-N 125.228 1.58 . . . . 0.0 112.721 -171.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.496 ' C ' ' HD2' ' A' ' 101' ' ' ARG . 7.1 m-20 -97.99 141.21 31.23 Favored 'General case' 0 CA--C 1.469 -2.141 0 CA-C-O 125.777 2.703 . . . . 0.0 110.39 -172.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.496 ' HD2' ' C ' ' A' ' 100' ' ' ASP . 2.7 mpt_? -144.72 73.86 15.08 Favored Pre-proline 0 N--CA 1.494 1.769 0 CA-C-N 111.213 -2.722 . . . . 0.0 113.663 175.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -57.32 159.08 16.69 Favored 'Trans proline' 0 CA--C 1.544 1.015 0 C-N-CA 124.016 3.144 . . . . 0.0 118.608 171.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -178.89 175.57 47.42 Favored Glycine 1 CA--C 1.61 5.971 0 N-CA-C 117.987 1.955 . . . . 0.0 117.987 172.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.434 ' HA ' ' O ' ' A' ' 78' ' ' VAL . 31.3 ttt180 -122.27 111.92 17.51 Favored 'General case' 0 C--O 1.281 2.721 0 O-C-N 126.978 2.222 . . . . 0.0 113.923 178.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 86.8 mtm-85 -158.13 163.63 37.41 Favored 'General case' 0 C--O 1.247 0.973 0 CA-C-O 116.219 -1.848 . . . . 0.0 114.736 -172.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -67.77 176.58 2.44 Favored 'General case' 0 CA--C 1.573 1.835 0 C-N-CA 125.943 1.697 . . . . 0.0 106.838 165.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.425 ' CD1' ' HB3' ' A' ' 74' ' ' SER . 14.5 p90 -160.46 170.5 20.85 Favored 'General case' 0 N--CA 1.512 2.634 0 O-C-N 124.279 0.987 . . . . 0.0 109.261 -173.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 74.7 t -147.99 130.69 7.43 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.427 0 O-C-N 125.447 1.717 . . . . 0.0 106.742 -163.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.2 m -142.1 169.81 13.03 Favored 'Isoleucine or valine' 0 C--O 1.258 1.529 0 C-N-CA 126.192 1.797 . . . . 0.0 111.751 -172.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -126.81 145.12 50.75 Favored 'General case' 0 C--O 1.27 2.164 0 C-N-CA 127.723 2.409 . . . . 0.0 113.035 165.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 50.9 m -133.88 159.03 41.92 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 128.84 3.837 . . . . 0.0 119.519 -167.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -130.87 158.29 40.59 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 112.606 -2.088 . . . . 0.0 113.511 -175.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -75.56 149.91 38.22 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-O 115.853 -2.023 . . . . 0.0 108.301 178.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -45.29 136.67 5.13 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 119.673 3.212 . . . . 0.0 119.673 175.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -69.63 131.85 89.5 Favored Pre-proline 0 C--N 1.267 -3.016 0 O-C-N 124.496 1.123 . . . . 0.0 108.09 175.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -67.65 -8.23 21.72 Favored 'Trans proline' 0 N--CA 1.41 -3.411 0 N-CA-C 117.919 2.238 . . . . 0.0 117.919 175.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -133.51 10.35 4.04 Favored 'General case' 0 N--CA 1.507 2.392 0 C-N-CA 128.429 2.692 . . . . 0.0 112.63 -174.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -146.75 140.4 25.84 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 128.684 2.794 . . . . 0.0 116.933 172.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.0 m 46.86 59.09 16.66 Favored Pre-proline 0 N--CA 1.495 1.778 0 N-CA-C 118.432 2.753 . . . . 0.0 118.432 168.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -29.3 -22.19 0.0 OUTLIER 'Trans proline' 0 CA--C 1.564 2.015 1 N-CA-C 126.858 5.676 . . . . 0.0 126.858 170.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -73.86 -24.94 59.81 Favored 'General case' 0 C--O 1.199 -1.564 0 C-N-CA 126.799 2.04 . . . . 0.0 109.454 -161.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -120.1 102.82 45.84 Favored Pre-proline 0 CA--C 1.559 1.32 0 CA-C-O 116.633 -1.651 . . . . 0.0 111.961 -166.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . 0.251 36.0 Cg_exo -49.02 -25.91 9.57 Favored 'Trans proline' 0 N--CA 1.438 -1.737 1 C-N-CA 125.307 4.005 . . . . 0.0 118.817 174.427 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.7 m -147.84 153.51 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.714 1 N-CA-C 99.488 -4.264 . . . . 0.0 99.488 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 18.3 m -138.77 143.01 35.9 Favored Pre-proline 0 CA--C 1.59 2.51 0 C-N-CA 129.958 3.303 . . . . 0.0 106.989 -175.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.455 ' HD2' ' CZ ' ' A' ' 48' ' ' PHE . 88.9 Cg_endo -79.93 142.57 15.74 Favored 'Trans proline' 0 N--CA 1.426 -2.455 0 C-N-CA 123.216 2.611 . . . . 0.0 111.846 176.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 31.2 m -124.38 -12.08 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.221 0 N-CA-C 119.223 3.046 . . . . 0.0 119.223 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -164.4 152.45 12.4 Favored 'General case' 0 N--CA 1.509 2.508 0 C-N-CA 125.501 1.52 . . . . 0.0 111.467 -171.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 66.6 tp -120.51 131.5 54.74 Favored 'General case' 0 N--CA 1.505 2.286 0 C-N-CA 127.842 2.457 . . . . 0.0 112.466 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -97.57 -50.45 4.49 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 14.9 t -172.74 161.16 4.68 Favored 'General case' 0 C--O 1.248 1.009 0 CA-C-O 123.738 1.732 . . . . 0.0 108.51 -164.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 77.3 p -128.66 129.83 46.38 Favored 'General case' 0 N--CA 1.522 3.13 0 N-CA-C 101.514 -3.513 . . . . 0.0 101.514 175.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 112.931 -3.414 . . . . 0.0 115.426 -173.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo . . . . . 0 CA--C 1.549 1.235 0 N-CA-C 118.729 2.55 . . . . 0.0 118.729 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -52.47 -11.6 1.29 Allowed 'Trans proline' 0 C--N 1.392 2.855 0 O-C-N 127.764 3.507 . . . . 0.0 119.414 -176.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -141.35 -6.39 1.05 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 118.128 2.64 . . . . 0.0 118.128 174.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -128.15 164.64 22.04 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 120.864 -1.148 . . . . 0.0 112.959 -172.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 59.7 p -73.42 160.06 32.34 Favored 'General case' 1 N--CA 1.555 4.812 0 O-C-N 117.479 -3.263 . . . . 0.0 103.678 157.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -59.4 -28.56 67.02 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-O 115.211 -2.328 . . . . 0.0 113.12 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.47 -32.18 24.15 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 126.21 2.194 . . . . 0.0 113.104 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.17 -44.2 95.22 Favored 'General case' 0 C--O 1.274 2.349 0 O-C-N 118.952 -2.343 . . . . 0.0 108.018 168.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -60.02 -39.91 87.49 Favored 'General case' 0 C--O 1.18 -2.56 0 N-CA-C 119.474 3.139 . . . . 0.0 119.474 168.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -53.71 -46.35 70.73 Favored 'General case' 0 C--O 1.253 1.258 0 CA-C-O 127.297 3.427 . . . . 0.0 112.762 164.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.47 -36.28 63.31 Favored 'General case' 0 CA--C 1.566 1.564 0 O-C-N 117.183 -3.448 . . . . 0.0 112.085 -168.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.7 mt -68.94 -35.26 68.35 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.091 0 C-N-CA 118.121 -1.431 . . . . 0.0 112.162 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -67.01 -26.22 66.67 Favored 'General case' 0 CA--C 1.57 1.715 0 CA-C-O 114.694 -2.574 . . . . 0.0 114.348 174.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -150.8 -7.59 0.27 Allowed 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 117.659 2.466 . . . . 0.0 117.659 -161.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.0 mm -119.1 110.37 29.57 Favored 'Isoleucine or valine' 0 C--O 1.259 1.564 0 O-C-N 118.008 -2.932 . . . . 0.0 107.567 -174.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.2 m -150.86 124.08 8.84 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 120.146 -1.596 . . . . 0.0 112.601 155.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 18' ' ' LEU . 10.6 tp -42.17 -36.49 1.2 Allowed 'General case' 0 C--N 1.385 2.152 0 N-CA-C 118.712 2.856 . . . . 0.0 118.712 169.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -142.25 80.53 14.87 Favored Pre-proline 0 C--O 1.188 -2.147 0 O-C-N 126.027 2.08 . . . . 0.0 111.483 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.45 170.58 19.6 Favored 'Trans proline' 0 CA--C 1.565 2.062 0 O-C-N 123.22 1.116 . . . . 0.0 112.209 -174.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -86.42 171.6 7.41 Favored 'Trans proline' 0 CA--C 1.567 2.153 0 C-N-CA 122.383 2.055 . . . . 0.0 110.513 176.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -49.93 138.32 15.44 Favored 'General case' 0 C--N 1.295 -1.803 0 CA-C-O 116.862 -1.542 . . . . 0.0 114.168 161.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 64.3 m -56.31 -29.41 61.2 Favored 'General case' 0 N--CA 1.527 3.406 0 O-C-N 125.846 1.966 . . . . 0.0 115.339 -169.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.8 p -45.1 -30.92 1.21 Allowed 'General case' 1 N--CA 1.539 4.022 0 N-CA-C 119.786 3.254 . . . . 0.0 119.786 166.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 30.8 mm -97.06 -45.81 12.78 Favored 'Isoleucine or valine' 1 C--O 1.142 -4.603 0 CA-C-O 126.622 3.106 . . . . 0.0 109.368 177.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.87 -41.55 58.15 Favored 'General case' 0 C--N 1.393 2.474 0 O-C-N 116.901 -3.624 . . . . 0.0 113.098 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 79.9 mmm -66.67 -18.44 65.37 Favored 'General case' 0 CA--C 1.572 1.812 1 CA-C-N 126.327 4.148 . . . . 0.0 110.702 -173.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -71.97 -29.58 64.4 Favored 'General case' 0 C--O 1.243 0.761 0 O-C-N 119.394 -2.066 . . . . 0.0 110.116 -163.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.3 -11.47 6.57 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 117.539 2.422 . . . . 0.0 117.539 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.8 pt -130.35 -36.73 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.261 0 C-N-CA 127.39 2.276 . . . . 0.0 112.182 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -73.23 -24.43 60.49 Favored 'General case' 0 C--N 1.379 1.871 0 O-C-N 118.362 -2.711 . . . . 0.0 111.776 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -97.3 14.34 26.41 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 126.487 1.915 . . . . 0.0 111.39 173.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -139.27 -6.17 1.4 Allowed 'General case' 1 N--CA 1.553 4.719 0 O-C-N 119.599 -1.938 . . . . 0.0 111.217 -168.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -140.15 168.2 20.36 Favored 'General case' 0 CA--C 1.591 2.552 0 O-C-N 119.344 -2.097 . . . . 0.0 108.667 -176.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.1 p-90 -55.02 -23.64 20.6 Favored 'General case' 0 CA--C 1.568 1.656 0 N-CA-C 116.454 2.02 . . . . 0.0 116.454 -167.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . 0.316 88.3 mtt180 -152.33 -179.7 7.78 Favored 'General case' 0 C--O 1.27 2.165 1 O-C-N 115.813 -4.304 . . . . 0.0 111.377 179.036 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 59.0 m -79.99 130.99 35.71 Favored 'General case' 0 CA--C 1.559 1.312 0 O-C-N 118.626 -2.547 . . . . 0.0 107.832 173.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -75.33 142.29 43.22 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 117.628 -3.17 . . . . 0.0 105.846 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -64.21 -54.46 33.21 Favored 'General case' 0 C--O 1.184 -2.38 0 CA-C-N 114.111 -1.404 . . . . 0.0 112.376 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -138.48 143.54 39.64 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 126.408 2.318 . . . . 0.0 111.428 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -141.77 172.74 12.28 Favored 'General case' 0 CA--C 1.492 -1.263 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 167.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . 0.301 1.6 m -139.78 145.21 37.92 Favored 'General case' 0 C--O 1.275 2.415 0 C-N-CA 128.45 2.7 . . . . 0.0 111.421 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -140.41 133.69 29.74 Favored 'General case' 0 C--O 1.28 2.683 0 CA-C-O 123.943 1.83 . . . . 0.0 113.555 166.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.5 mt -100.01 139.82 35.11 Favored 'General case' 0 C--N 1.378 1.838 0 O-C-N 117.105 -3.497 . . . . 0.0 109.465 -168.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -85.97 61.98 7.17 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 126.468 1.907 . . . . 0.0 107.827 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.8 t -152.67 161.0 43.15 Favored 'General case' 0 C--O 1.193 -1.892 0 CA-C-O 114.369 -2.729 . . . . 0.0 110.055 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.3 p -110.87 160.48 16.73 Favored 'General case' 0 N--CA 1.509 2.5 0 CA-C-O 127.939 3.733 . . . . 0.0 110.337 -163.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -61.83 -29.88 70.46 Favored 'General case' 0 C--O 1.261 1.685 0 O-C-N 118.19 -2.819 . . . . 0.0 112.629 -164.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.16 -25.68 59.87 Favored 'General case' 0 N--CA 1.434 -1.238 0 C-N-CA 126.119 1.768 . . . . 0.0 108.123 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -89.29 -20.29 24.27 Favored 'General case' 0 CA--C 1.557 1.25 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.8 t -82.25 -40.77 17.45 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.825 0 N-CA-C 104.024 -2.584 . . . . 0.0 104.024 175.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 25.3 t -57.37 -29.51 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 120.923 -1.111 . . . . 0.0 110.943 172.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -69.23 -26.02 64.6 Favored 'General case' 0 N--CA 1.508 2.466 0 O-C-N 120.096 -1.627 . . . . 0.0 113.795 170.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.491 ' C ' ' H ' ' A' ' 56' ' ' GLY . 47.2 t -78.41 -37.91 22.18 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 O-C-N 124.703 1.252 . . . . 0.0 112.787 168.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 63.1 m -59.54 5.17 0.03 OUTLIER 'General case' 0 CA--C 1.586 2.359 0 CA-C-O 125.407 2.527 . . . . 0.0 116.91 158.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 54' ' ' VAL . . . -123.61 38.36 2.47 Favored Glycine 0 N--CA 1.476 1.314 0 N-CA-C 121.143 3.217 . . . . 0.0 121.143 161.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.262 44.6 t-20 -113.99 179.75 3.87 Favored 'General case' 0 N--CA 1.513 2.697 0 C-N-CA 117.295 -1.762 . . . . 0.0 107.739 169.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -56.74 148.34 20.63 Favored 'General case' 0 C--N 1.382 2.017 0 O-C-N 120.332 -1.48 . . . . 0.0 113.231 -178.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.6 m -79.84 117.37 20.66 Favored 'General case' 0 N--CA 1.405 -2.689 0 C-N-CA 127.582 2.353 . . . . 0.0 109.611 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 19.5 pt -119.0 176.32 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 130.655 3.582 . . . . 0.0 113.205 171.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.5 ptt-85 -107.48 149.36 28.05 Favored 'General case' 0 N--CA 1.51 2.571 1 O-C-N 116.278 -4.014 . . . . 0.0 113.263 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 92.3 m -144.29 150.12 47.2 Favored Pre-proline 0 CA--C 1.566 1.576 0 CA-C-N 120.016 1.28 . . . . 0.0 112.356 176.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -56.39 -24.02 49.88 Favored 'Trans proline' 0 C--O 1.216 -0.601 1 C-N-CA 127.617 5.545 . . . . 0.0 114.36 -161.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -122.84 37.56 4.38 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 -169.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -147.13 -8.66 0.45 Allowed 'General case' 0 C--N 1.369 1.441 0 O-C-N 119.92 -1.737 . . . . 0.0 112.499 -152.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 46.6 ptt85 -49.63 -19.96 0.7 Allowed 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 120.896 3.665 . . . . 0.0 120.896 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.3 p -58.07 -46.44 85.44 Favored 'General case' 0 C--N 1.286 -2.189 0 CA-C-N 122.257 2.299 . . . . 0.0 110.124 168.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -104.52 -17.97 14.53 Favored 'General case' 0 CA--C 1.563 1.446 0 CA-C-N 119.501 1.046 . . . . 0.0 110.435 176.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.2 t30 43.83 42.25 4.34 Favored 'General case' 0 C--N 1.392 2.451 0 C-N-CA 126.489 1.915 . . . . 0.0 115.592 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -141.78 103.82 4.42 Favored 'General case' 0 C--N 1.283 -2.303 0 O-C-N 126.502 2.377 . . . . 0.0 113.387 -173.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 24.7 p -125.74 175.36 7.67 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 118.79 -2.444 . . . . 0.0 109.401 174.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -145.84 162.51 37.54 Favored 'General case' 0 C--O 1.277 2.533 0 CA-C-O 115.758 -2.068 . . . . 0.0 112.66 175.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -119.63 153.14 35.97 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 126.648 1.979 . . . . 0.0 111.272 177.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.472 ' HB3' ' CE2' ' A' ' 107' ' ' TYR . 93.6 p -62.46 152.06 35.52 Favored 'General case' 0 C--O 1.26 1.654 0 C-N-CA 125.851 1.66 . . . . 0.0 114.358 175.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 66.1 mtt-85 -71.53 -9.17 57.79 Favored 'General case' 0 N--CA 1.525 3.29 0 N-CA-C 104.175 -2.528 . . . . 0.0 104.175 -175.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -174.65 168.05 3.75 Favored 'General case' 0 N--CA 1.51 2.546 0 N-CA-C 115.525 1.676 . . . . 0.0 115.525 -155.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 64.5 mtm180 -74.33 145.75 43.64 Favored 'General case' 0 C--O 1.186 -2.242 0 O-C-N 118.727 -2.483 . . . . 0.0 112.31 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.7 m -121.21 141.57 33.3 Favored Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 118.041 -2.912 . . . . 0.0 114.557 164.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -67.83 134.61 32.85 Favored 'Trans proline' 0 C--O 1.282 2.712 0 CA-C-O 126.982 2.826 . . . . 0.0 109.698 159.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.1 pp -130.28 160.75 32.98 Favored 'General case' 0 CA--C 1.584 2.267 0 CA-C-N 111.168 -2.742 . . . . 0.0 114.381 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 tp -116.72 107.47 14.7 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 168.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -86.33 136.97 32.94 Favored 'General case' 0 CA--C 1.566 1.578 0 O-C-N 118.651 -2.53 . . . . 0.0 114.073 172.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 87.2 m -124.0 136.38 54.25 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 124.383 1.052 . . . . 0.0 110.995 -175.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -135.5 111.0 9.14 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 127.792 3.182 . . . . 0.0 111.152 -157.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.9 tp -75.73 86.63 2.76 Favored 'General case' 0 CA--C 1.574 1.869 0 C-N-CA 130.016 3.327 . . . . 0.0 106.839 173.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.307 13.4 pt -56.33 -0.26 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.516 2.825 0 C-N-CA 130.492 3.517 . . . . 0.0 119.069 -172.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -140.01 129.12 13.49 Favored Pre-proline 0 CA--C 1.612 3.36 0 N-CA-C 116.944 2.202 . . . . 0.0 116.944 -165.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -89.96 16.91 1.62 Allowed 'Trans proline' 0 CA--C 1.572 2.422 0 CA-C-O 115.313 -2.036 . . . . 0.0 115.406 -175.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -125.31 -13.47 3.52 Favored Glycine 0 C--O 1.19 -2.609 0 N-CA-C 108.713 -1.755 . . . . 0.0 108.713 173.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . 0.268 . . -57.99 143.43 43.19 Favored 'General case' 0 C--N 1.4 2.787 0 CA-C-N 119.796 1.798 . . . . 0.0 111.662 170.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -144.85 -23.3 0.51 Allowed 'General case' 0 C--N 1.305 -1.336 0 O-C-N 119.577 -1.952 . . . . 0.0 115.832 174.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -136.8 153.83 50.7 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 116.826 2.158 . . . . 0.0 116.826 174.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 27.7 pt -55.92 -21.01 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.623 0 C-N-CA 130.346 3.458 . . . . 0.0 114.497 -174.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.1 p -66.09 12.58 0.06 Allowed 'General case' 0 N--CA 1.496 1.828 0 CA-C-O 115.436 -2.221 . . . . 0.0 112.548 159.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -161.92 -39.48 0.04 OUTLIER 'General case' 0 C--N 1.281 -2.41 0 CA-C-N 123.032 2.651 . . . . 0.0 113.377 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.8 m -36.75 97.93 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 130.428 3.491 . . . . 0.0 113.266 165.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -83.18 163.93 20.49 Favored 'General case' 0 N--CA 1.528 3.461 0 C-N-CA 129.024 2.93 . . . . 0.0 108.261 162.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -144.18 151.87 40.1 Favored 'General case' 0 C--N 1.383 2.059 0 C-N-CA 125.592 1.557 . . . . 0.0 112.108 -169.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -135.6 143.95 45.87 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.907 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.64 143.69 49.68 Favored 'General case' 0 CA--C 1.58 2.131 0 C-N-CA 125.254 1.422 . . . . 0.0 111.956 175.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -137.65 89.58 15.36 Favored Pre-proline 0 CA--C 1.589 2.444 0 C-N-CA 127.668 2.387 . . . . 0.0 113.677 167.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -63.75 151.73 83.78 Favored 'Trans proline' 0 N--CA 1.491 1.367 1 C-N-CA 126.568 4.845 . . . . 0.0 110.538 174.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -163.73 174.81 39.95 Favored Glycine 0 N--CA 1.498 2.82 0 C-N-CA 130.652 3.977 . . . . 0.0 118.245 163.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -144.6 112.74 6.42 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 173.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 56.4 mtm-85 -148.49 176.03 10.65 Favored 'General case' 0 C--O 1.2 -1.511 0 C-N-CA 126.148 1.779 . . . . 0.0 112.783 -175.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -85.61 175.42 8.78 Favored 'General case' 0 C--N 1.287 -2.111 0 O-C-N 118.115 -2.866 . . . . 0.0 110.295 164.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.472 ' CE2' ' HB3' ' A' ' 74' ' ' SER . 8.6 p90 -148.03 158.43 44.06 Favored 'General case' 0 C--O 1.285 2.95 0 O-C-N 125.64 1.837 . . . . 0.0 108.371 -173.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 23.2 t -132.25 126.15 55.36 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.053 0 O-C-N 127.083 2.74 . . . . 0.0 109.763 -170.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.7 m -127.75 176.67 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.059 0 N-CA-C 114.552 1.316 . . . . 0.0 114.552 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -136.66 151.65 49.53 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.256 -0.903 . . . . 0.0 110.088 169.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 22.2 m -134.13 -177.52 4.62 Favored 'General case' 0 C--O 1.273 2.333 0 C-N-CA 127.64 2.376 . . . . 0.0 114.223 -163.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -156.44 171.57 20.03 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 113.08 -1.873 . . . . 0.0 115.359 -175.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -73.33 142.54 47.08 Favored 'General case' 0 N--CA 1.517 2.895 0 C-N-CA 123.434 0.694 . . . . 0.0 110.78 173.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -45.13 148.84 0.54 Allowed 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 127.64 2.376 . . . . 0.0 115.883 173.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -67.98 137.9 92.4 Favored Pre-proline 0 C--O 1.258 1.543 0 N-CA-C 116.352 1.982 . . . . 0.0 116.352 169.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -69.21 -3.18 11.12 Favored 'Trans proline' 0 N--CA 1.404 -3.788 0 C-N-CA 122.332 2.021 . . . . 0.0 115.626 -172.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -145.75 10.78 1.22 Allowed 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 116.42 -1.753 . . . . 0.0 112.817 -172.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -135.59 129.02 32.26 Favored 'General case' 0 C--N 1.366 1.323 0 C-N-CA 125.82 1.648 . . . . 0.0 111.856 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 71.5 m 71.37 62.19 0.42 Allowed Pre-proline 0 N--CA 1.518 2.961 0 N-CA-C 121.083 3.735 . . . . 0.0 121.083 162.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -53.94 -12.83 3.77 Favored 'Trans proline' 0 CA--C 1.589 3.246 0 C-N-CA 124.55 3.5 . . . . 0.0 116.744 175.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -60.28 -23.51 64.21 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 116.761 -3.712 . . . . 0.0 116.878 178.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -138.37 128.66 15.16 Favored Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 118.89 -2.382 . . . . 0.0 114.087 -175.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.51 -27.1 23.32 Favored 'Trans proline' 0 C--N 1.372 1.801 0 C-N-CA 121.902 1.735 . . . . 0.0 115.606 -174.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 18.4 m -143.88 152.21 16.13 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.711 0 C-N-CA 128.417 2.687 . . . . 0.0 104.582 -178.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 3.2 m -133.15 147.17 64.1 Favored Pre-proline 0 C--O 1.271 2.214 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -72.58 149.76 49.95 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 O-C-N 124.499 1.789 . . . . 0.0 110.463 174.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 26.6 m -134.13 -12.67 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.453 0 N-CA-C 119.006 2.965 . . . . 0.0 119.006 175.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -151.37 160.17 43.9 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 125.613 1.565 . . . . 0.0 111.489 172.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 19.6 tp -126.28 107.84 10.71 Favored 'General case' 0 N--CA 1.506 2.331 0 C-N-CA 128.971 2.908 . . . . 0.0 107.573 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -82.86 -52.99 6.21 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 117.193 2.294 . . . . 0.0 117.193 -170.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.0 t -162.27 179.57 7.78 Favored 'General case' 0 CA--C 1.566 1.561 0 CA-C-N 112.887 -1.961 . . . . 0.0 113.839 -176.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 53.4 p -149.11 141.21 23.91 Favored 'General case' 0 C--O 1.253 1.284 1 C-N-CA 133.692 4.797 . . . . 0.0 111.08 -175.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.435 -1.223 1 C-N-CA 132.646 4.379 . . . . 0.0 118.849 -168.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo . . . . . 0 N--CA 1.431 -2.182 0 CA-C-O 117.693 -1.045 . . . . 0.0 111.328 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -56.06 -6.62 1.34 Allowed 'Trans proline' 0 CA--C 1.546 1.108 2 C-N-CA 126.794 4.996 . . . . 0.0 123.142 -171.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -162.6 16.92 0.08 Allowed 'General case' 0 N--CA 1.428 -1.573 0 O-C-N 126.539 2.399 . . . . 0.0 113.598 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -145.25 -169.29 3.17 Favored 'General case' 0 C--N 1.391 2.379 0 CA-C-O 122.664 1.221 . . . . 0.0 109.015 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.0 p -90.87 165.98 13.32 Favored 'General case' 0 N--CA 1.507 2.421 0 C-N-CA 127.438 2.295 . . . . 0.0 114.438 148.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -50.75 -46.49 59.32 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 167.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.79 -47.69 83.99 Favored 'General case' 0 CA--C 1.581 2.148 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.253 -174.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -71.64 -32.04 67.5 Favored 'General case' 0 C--O 1.259 1.591 0 CA-C-N 112.851 -1.977 . . . . 0.0 110.345 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 48.2 t-105 -75.82 -35.13 60.1 Favored 'General case' 0 CA--C 1.474 -1.955 0 CA-C-N 122.513 2.415 . . . . 0.0 114.0 175.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -45.0 -65.11 0.57 Allowed 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 116.845 -1.55 . . . . 0.0 110.361 154.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.23 83.02 Favored 'General case' 0 N--CA 1.39 -3.448 0 C-N-CA 124.282 1.033 . . . . 0.0 111.086 -168.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.2 mt -57.04 -29.15 30.73 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.501 0 C-N-CA 125.845 1.658 . . . . 0.0 112.885 173.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -92.17 -22.48 19.82 Favored 'General case' 0 C--O 1.281 2.726 0 CA-C-O 115.241 -2.314 . . . . 0.0 112.323 -176.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -138.26 -22.95 1.02 Allowed 'General case' 0 CA--C 1.594 2.656 0 N-CA-C 119.193 3.034 . . . . 0.0 119.193 -169.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . 0.372 49.8 mm -120.53 80.66 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.582 2.208 0 CA-C-N 120.521 1.509 . . . . 0.0 108.024 -159.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.2 m -130.15 112.87 13.81 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 125.254 1.422 . . . . 0.0 109.49 -170.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 tp -67.19 -26.24 66.53 Favored 'General case' 0 CA--C 1.571 1.755 0 CA-C-N 122.472 2.397 . . . . 0.0 117.128 -165.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -149.01 57.57 3.0 Favored Pre-proline 0 C--N 1.318 -0.786 0 O-C-N 118.792 -2.443 . . . . 0.0 116.298 177.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -56.71 169.84 1.61 Allowed 'Trans proline' 0 C--O 1.272 2.202 0 C-N-CA 122.916 2.411 . . . . 0.0 111.442 -170.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . 0.281 0.3 OUTLIER -71.96 179.53 4.77 Favored 'Trans proline' 0 CA--C 1.565 2.054 1 C-N-CA 130.171 7.247 . . . . 0.0 112.868 164.336 . . . . . . . . 4 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -54.42 147.44 13.8 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 165.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.508 ' SG ' ' HA ' ' A' ' 100' ' ' ASP . 88.9 m -47.43 -30.69 3.51 Favored 'General case' 0 C--O 1.282 2.807 0 N-CA-C 119.493 3.146 . . . . 0.0 119.493 169.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 p -52.49 -46.17 66.47 Favored 'General case' 0 C--N 1.397 2.672 0 CA-C-N 119.745 1.157 . . . . 0.0 112.301 169.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.8 mm -83.79 -43.64 17.97 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.894 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 174.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.01 -32.68 74.52 Favored 'General case' 0 C--N 1.313 -0.992 0 O-C-N 118.478 -2.639 . . . . 0.0 117.824 -175.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 84.4 mmm -57.16 -29.71 63.85 Favored 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 163.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -61.79 -22.78 65.74 Favored 'General case' 0 C--N 1.376 1.749 0 CA-C-O 117.78 -1.105 . . . . 0.0 110.821 -177.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.67 -18.48 54.1 Favored 'General case' 0 N--CA 1.513 2.68 0 N-CA-C 115.018 1.488 . . . . 0.0 115.018 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.1 pt -127.63 -38.15 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 126.097 1.759 . . . . 0.0 111.016 175.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.274 48.7 m-20 -73.73 -20.49 60.5 Favored 'General case' 0 CA--C 1.493 -1.229 0 CA-C-O 115.372 -2.251 . . . . 0.0 111.68 -175.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -110.19 19.02 19.36 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 123.742 2.974 . . . . 0.0 109.647 172.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -120.53 -5.71 9.78 Favored 'General case' 0 C--O 1.272 2.263 0 C-N-CA 130.325 3.45 . . . . 0.0 115.943 169.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -134.41 162.99 30.7 Favored 'General case' 0 N--CA 1.511 2.61 0 C-N-CA 127.287 2.235 . . . . 0.0 112.855 175.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -57.39 -22.66 44.3 Favored 'General case' 1 C--O 1.308 4.157 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 -171.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -139.6 156.81 46.65 Favored 'General case' 0 C--O 1.259 1.592 0 C-N-CA 127.674 2.39 . . . . 0.0 113.497 -171.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.1 m -82.21 111.82 18.66 Favored 'General case' 0 C--N 1.362 1.139 0 CA-C-O 116.11 -1.9 . . . . 0.0 113.88 174.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.457 ' HE2' ' O ' ' A' ' 40' ' ' GLN . 78.7 tttt -54.94 135.5 48.38 Favored 'General case' 0 CA--C 1.484 -1.584 0 C-N-CA 125.23 1.412 . . . . 0.0 111.428 171.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -76.67 -32.95 58.27 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 129.856 3.262 . . . . 0.0 112.483 -175.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.457 ' O ' ' HE2' ' A' ' 38' ' ' LYS . 88.7 mm-40 -145.36 143.72 30.29 Favored 'General case' 0 CA--C 1.573 1.862 0 N-CA-C 104.458 -2.423 . . . . 0.0 104.458 -173.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.412 ' ND2' ' CE1' ' A' ' 43' ' ' PHE . 15.5 t30 -155.64 161.24 40.83 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.183 -1.573 . . . . 0.0 109.273 168.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -136.62 137.72 40.41 Favored 'General case' 0 C--O 1.267 1.988 0 CA-C-N 112.515 -2.13 . . . . 0.0 112.16 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.412 ' CE1' ' ND2' ' A' ' 41' ' ' ASN . 14.9 m-85 -131.08 143.13 50.44 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 128.228 2.611 . . . . 0.0 107.613 -172.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mp -134.44 137.87 44.33 Favored 'General case' 0 C--N 1.401 2.821 0 C-N-CA 117.361 -1.735 . . . . 0.0 108.608 -165.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -96.36 42.51 1.09 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.346 1.458 . . . . 0.0 114.21 -174.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 t -106.01 167.39 9.83 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 129.957 3.303 . . . . 0.0 110.262 165.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.3 p -95.79 160.71 14.34 Favored 'General case' 0 CA--C 1.583 2.235 0 CA-C-N 121.867 2.121 . . . . 0.0 110.142 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -54.76 -52.95 60.96 Favored 'General case' 0 C--N 1.388 2.259 0 CA-C-N 114.876 -1.057 . . . . 0.0 113.061 -176.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.55 -29.06 67.65 Favored 'General case' 0 C--N 1.388 2.259 0 O-C-N 118.696 -2.503 . . . . 0.0 115.019 176.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -62.0 -38.91 90.37 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 120.892 1.678 . . . . 0.0 114.893 164.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.1 t -71.98 -34.84 52.06 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.018 0 CA-C-O 116.888 -1.53 . . . . 0.0 111.52 171.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.6 t -67.06 -35.14 73.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 CA-C-N 121.68 2.036 . . . . 0.0 110.137 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -66.83 -28.95 68.77 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-O 111.703 -3.999 . . . . 0.0 114.234 164.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.79 -37.37 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.322 0 CA-C-N 123.434 2.834 . . . . 0.0 114.947 163.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 35.3 m -50.09 -28.79 7.72 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 119.381 -2.074 . . . . 0.0 115.504 165.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.21 17.18 59.59 Favored Glycine 0 C--N 1.373 2.62 0 CA-C-O 114.418 -3.434 . . . . 0.0 116.576 170.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -84.54 166.41 17.23 Favored 'General case' 0 CA--C 1.593 2.604 0 CA-C-O 125.11 2.386 . . . . 0.0 108.552 167.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -44.67 147.8 0.57 Allowed 'General case' 0 CA--C 1.551 1.013 0 O-C-N 118.809 -2.432 . . . . 0.0 115.872 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.5 m -102.09 142.69 32.97 Favored 'General case' 0 C--O 1.273 2.294 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 -167.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.5 pt -150.65 -179.03 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.582 2.2 0 CA-C-N 113.237 -1.801 . . . . 0.0 109.791 -171.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.9 ptt-85 -115.99 152.68 33.04 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 126.926 2.09 . . . . 0.0 114.438 176.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 83.5 m -147.11 153.95 45.78 Favored Pre-proline 0 C--N 1.409 3.167 0 CA-C-O 124.22 1.962 . . . . 0.0 109.346 -171.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -74.04 -8.94 21.72 Favored 'Trans proline' 0 CA--C 1.591 3.356 0 O-C-N 116.965 -2.176 . . . . 0.0 117.726 -165.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -120.25 37.05 4.35 Favored 'General case' 0 C--O 1.265 1.882 0 O-C-N 126.581 2.425 . . . . 0.0 114.471 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -140.66 0.42 1.63 Allowed 'General case' 0 C--O 1.263 1.793 0 O-C-N 118.599 -2.563 . . . . 0.0 111.795 -152.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -57.03 -37.06 71.22 Favored 'General case' 0 CA--C 1.597 2.772 0 N-CA-C 117.668 2.47 . . . . 0.0 117.668 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.2 p -41.96 -30.0 0.25 Allowed 'General case' 0 C--O 1.176 -2.766 0 C-N-CA 127.824 2.45 . . . . 0.0 116.554 175.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -134.51 5.3 3.44 Favored 'General case' 0 N--CA 1.519 2.988 0 O-C-N 126.426 2.329 . . . . 0.0 115.563 168.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 31.44 52.92 0.2 Allowed 'General case' 0 N--CA 1.536 3.872 1 C-N-CA 131.749 4.02 . . . . 0.0 113.209 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -159.65 125.82 4.34 Favored 'General case' 0 CA--C 1.595 2.696 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 15.7 p -138.58 176.69 8.47 Favored 'General case' 0 CA--C 1.57 1.739 0 O-C-N 126.499 2.374 . . . . 0.0 112.704 169.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -155.33 163.43 40.13 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-O 116.589 -1.672 . . . . 0.0 112.48 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -130.62 151.49 51.02 Favored 'General case' 1 N--CA 1.54 4.067 0 C-N-CA 129.207 3.003 . . . . 0.0 116.009 170.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.9 p -64.65 154.05 37.64 Favored 'General case' 0 N--CA 1.432 -1.366 0 N-CA-C 116.733 2.123 . . . . 0.0 116.733 -173.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -76.25 -21.66 56.07 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 -169.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -150.58 178.55 8.97 Favored 'General case' 0 N--CA 1.416 -2.142 0 C-N-CA 128.787 2.835 . . . . 0.0 115.49 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -84.12 155.09 22.79 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-O 122.318 1.056 . . . . 0.0 109.86 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.8 m -149.95 148.4 24.97 Favored Pre-proline 0 CA--C 1.563 1.463 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 171.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -54.02 146.69 46.55 Favored 'Trans proline' 0 N--CA 1.498 1.789 0 O-C-N 118.748 -1.238 . . . . 0.0 111.865 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 pp -155.52 -171.91 3.95 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 125.41 1.484 . . . . 0.0 111.558 176.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 47.5 tp -144.55 135.7 25.22 Favored 'General case' 0 CA--C 1.602 2.965 0 O-C-N 128.292 3.495 . . . . 0.0 108.98 -178.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -122.08 150.55 41.99 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 127.398 2.279 . . . . 0.0 109.296 169.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 62.9 m -129.19 153.42 47.75 Favored 'General case' 0 C--O 1.183 -2.441 0 CA-C-N 119.913 1.233 . . . . 0.0 111.671 -172.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -139.37 125.66 20.18 Favored 'General case' 0 CA--C 1.57 1.732 0 CA-C-O 125.735 2.683 . . . . 0.0 109.443 -175.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.0 tp -72.31 94.31 1.59 Allowed 'General case' 0 CA--C 1.595 2.699 0 C-N-CA 129.434 3.093 . . . . 0.0 107.064 172.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 28.6 pt -58.35 -25.42 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 CA-C-O 112.923 -3.417 . . . . 0.0 110.219 -161.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -125.1 104.54 29.36 Favored Pre-proline 0 N--CA 1.415 -2.196 0 CA-C-N 123.377 2.808 . . . . 0.0 111.495 -156.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . 0.284 94.8 Cg_exo -37.8 -39.23 0.78 Allowed 'Trans proline' 0 C--O 1.273 2.257 1 C-N-CA 128.021 5.814 . . . . 0.0 117.81 177.42 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -75.25 -29.36 60.39 Favored Glycine 1 CA--C 1.617 6.445 0 N-CA-C 119.258 2.463 . . . . 0.0 119.258 -177.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . 0.334 . . -74.15 130.96 40.79 Favored 'General case' 0 C--O 1.252 1.185 0 C-N-CA 125.386 1.474 . . . . 0.0 109.391 -171.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -138.08 -21.56 1.08 Allowed 'General case' 0 N--CA 1.51 2.528 0 CA-C-O 115.104 -2.379 . . . . 0.0 114.319 171.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -93.82 133.15 37.52 Favored 'General case' 0 CA--C 1.572 1.801 0 CA-C-O 124.839 2.257 . . . . 0.0 110.961 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.1 pt -41.58 -29.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.38 1.898 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 176.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 84.9 p -65.47 -24.56 67.19 Favored 'General case' 0 C--O 1.27 2.177 0 CA-C-N 121.115 1.779 . . . . 0.0 113.204 178.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -115.14 -37.18 4.17 Favored 'General case' 0 N--CA 1.517 2.899 0 N-CA-C 105.432 -2.062 . . . . 0.0 105.432 -160.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 74.4 m -53.28 136.13 37.34 Favored 'General case' 0 CA--C 1.62 3.652 0 CA-C-O 122.396 1.093 . . . . 0.0 112.73 -174.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -136.3 158.22 44.94 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 105.364 -2.087 . . . . 0.0 105.364 173.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -152.03 149.0 28.37 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 128.156 3.41 . . . . 0.0 113.471 -156.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -141.62 142.34 33.44 Favored 'General case' 0 N--CA 1.411 -2.406 0 C-N-CA 127.062 2.145 . . . . 0.0 114.466 -174.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.508 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 3.1 m-20 -84.13 158.56 21.33 Favored 'General case' 0 C--O 1.267 2.0 0 O-C-N 119.856 -1.777 . . . . 0.0 110.374 -172.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -145.41 82.86 9.4 Favored Pre-proline 0 CA--C 1.495 -1.137 0 C-N-CA 128.24 2.616 . . . . 0.0 108.598 162.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -58.95 179.6 0.19 Allowed 'Trans proline' 0 N--CA 1.5 1.885 1 C-N-CA 125.395 4.063 . . . . 0.0 110.582 174.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 161.86 -170.13 37.47 Favored Glycine 0 N--CA 1.515 3.951 0 CA-C-O 116.231 -2.427 . . . . 0.0 113.441 172.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 66.3 ttt-85 -146.57 123.05 11.05 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 121.029 2.415 . . . . 0.0 112.498 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -156.04 161.43 40.43 Favored 'General case' 0 N--CA 1.531 3.614 0 CA-C-N 124.878 3.49 . . . . 0.0 111.661 -166.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -66.3 162.76 19.45 Favored 'General case' 0 CA--C 1.569 1.687 0 CA-C-N 120.997 1.726 . . . . 0.0 107.639 162.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -139.45 156.9 46.66 Favored 'General case' 0 N--CA 1.399 -2.983 0 O-C-N 118.299 -2.751 . . . . 0.0 109.911 -173.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.6 t -120.98 135.3 61.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 -175.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.1 m -140.1 168.9 16.86 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.86 0 O-C-N 118.079 -2.888 . . . . 0.0 109.63 -166.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -131.87 146.51 52.16 Favored 'General case' 0 CA--C 1.588 2.43 0 O-C-N 120.751 -1.218 . . . . 0.0 109.822 159.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 24.3 m -133.91 163.22 30.0 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-O 125.381 2.515 . . . . 0.0 109.275 -176.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -143.9 167.9 21.22 Favored 'General case' 0 N--CA 1.424 -1.766 0 O-C-N 119.899 -1.751 . . . . 0.0 113.368 175.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -58.79 142.57 49.86 Favored 'General case' 0 C--N 1.278 -2.506 0 C-N-CA 127.87 2.468 . . . . 0.0 114.989 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . 0.305 11.0 ptm180 -35.44 121.78 0.6 Allowed 'General case' 0 C--N 1.304 -1.383 0 O-C-N 127.403 2.939 . . . . 0.0 113.162 171.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -49.14 130.69 16.18 Favored Pre-proline 0 C--N 1.307 -1.261 0 C-N-CA 129.903 3.281 . . . . 0.0 111.364 166.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . 0.324 55.1 Cg_endo -61.49 -10.24 15.7 Favored 'Trans proline' 0 C--O 1.187 -2.051 0 C-N-CA 123.585 2.857 . . . . 0.0 117.037 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 59.1 mtm180 -134.85 8.68 3.54 Favored 'General case' 0 CA--C 1.563 1.453 0 O-C-N 117.768 -3.083 . . . . 0.0 114.982 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . 0.277 33.3 t70 -139.22 156.05 47.36 Favored 'General case' 0 N--CA 1.513 2.699 0 N-CA-C 119.543 3.164 . . . . 0.0 119.543 177.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 38.0 m 33.81 58.87 1.89 Allowed Pre-proline 0 CA--C 1.563 1.445 0 C-N-CA 128.692 2.797 . . . . 0.0 117.795 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -49.47 -22.49 6.27 Favored 'Trans proline' 1 N--CA 1.575 6.321 0 CA-C-N 122.301 1.857 . . . . 0.0 111.7 174.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.403 ' NE ' ' HA ' ' A' ' 121' ' ' ARG 0.269 2.3 tpm_? -62.73 -17.86 61.58 Favored 'General case' 0 CA--C 1.559 1.321 0 C-N-CA 127.975 2.51 . . . . 0.0 112.796 177.529 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -125.72 92.28 46.76 Favored Pre-proline 0 C--N 1.287 -2.145 0 C-N-CA 129.046 2.939 . . . . 0.0 116.655 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . 0.285 71.8 Cg_endo -65.93 -19.92 58.06 Favored 'Trans proline' 0 CA--C 1.586 3.098 1 C-N-CA 126.148 4.566 . . . . 0.0 113.126 -169.83 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 1.5 m -136.34 151.82 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.715 0 CA-C-N 111.632 -2.531 . . . . 0.0 105.978 175.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 9.7 m -150.42 143.75 16.77 Favored Pre-proline 0 N--CA 1.394 -3.246 0 CA-C-O 115.183 -2.342 . . . . 0.0 113.382 -172.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -72.14 152.14 56.08 Favored 'Trans proline' 0 N--CA 1.425 -2.513 0 C-N-CA 124.001 3.134 . . . . 0.0 109.348 -174.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 26.7 m -128.46 -11.78 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.533 3.688 0 C-N-CA 125.408 1.483 . . . . 0.0 110.792 174.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -167.25 172.21 10.06 Favored 'General case' 0 CA--C 1.58 2.121 0 O-C-N 116.386 -3.946 . . . . 0.0 110.595 -167.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.7 tp -147.37 122.58 10.21 Favored 'General case' 0 C--O 1.208 -1.114 0 C-N-CA 129.457 3.103 . . . . 0.0 108.097 175.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -113.49 -26.75 8.16 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 119.531 3.16 . . . . 0.0 119.531 -167.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.5 t -174.37 176.63 2.38 Favored 'General case' 0 CA--C 1.495 -1.173 0 C-N-CA 126.666 1.987 . . . . 0.0 112.778 171.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 43.1 p -143.19 146.99 34.18 Favored 'General case' 0 CA--C 1.596 2.748 0 CA-C-O 114.502 -2.666 . . . . 0.0 113.971 174.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.254 1.332 0 CA-C-O 116.046 -1.931 . . . . 0.0 113.834 -168.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo . . . . . 0 C--O 1.273 2.243 0 N-CA-C 109.242 -1.099 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.35 68.2 Cg_exo -36.35 -34.1 0.15 Allowed 'Trans proline' 0 N--CA 1.417 -2.99 0 C-N-CA 123.681 2.921 . . . . 0.0 119.167 175.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -143.17 15.96 1.89 Allowed 'General case' 0 C--O 1.187 -2.2 0 O-C-N 118.627 -2.546 . . . . 0.0 115.953 -173.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -139.26 166.27 24.99 Favored 'General case' 0 C--O 1.194 -1.848 0 CA-C-O 126.358 2.98 . . . . 0.0 110.659 -169.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.3 p -80.63 164.88 22.54 Favored 'General case' 0 C--N 1.407 3.085 1 O-C-N 116.262 -4.024 . . . . 0.0 109.152 148.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -62.27 -31.98 72.63 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 174.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.48 -28.44 31.18 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 119.958 -1.714 . . . . 0.0 111.588 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -63.62 -38.3 90.6 Favored 'General case' 0 C--N 1.385 2.116 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 160.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -60.26 -48.18 82.84 Favored 'General case' 0 CA--C 1.575 1.908 0 O-C-N 118.181 -2.824 . . . . 0.0 112.187 172.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -52.62 -41.63 63.87 Favored 'General case' 0 CA--C 1.561 1.374 0 CA-C-O 116.488 -1.72 . . . . 0.0 111.463 174.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.79 -49.06 64.41 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-O 114.367 -2.73 . . . . 0.0 104.743 -177.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.5 mt -59.82 -46.51 93.61 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 CA-C-O 126.287 2.946 . . . . 0.0 116.113 -161.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -65.9 -37.98 87.51 Favored 'General case' 0 N--CA 1.411 -2.395 0 CA-C-N 112.531 -2.122 . . . . 0.0 116.083 175.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -133.58 -4.93 2.91 Favored 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 119.595 3.184 . . . . 0.0 119.595 -156.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.6 mm -125.81 108.13 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 C-N-CA 124.911 1.284 . . . . 0.0 111.866 174.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.8 m -149.02 129.34 13.76 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.086 2.155 . . . . 0.0 109.41 172.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 tp -73.17 -41.4 63.92 Favored 'General case' 0 N--CA 1.504 2.248 0 C-N-CA 128.111 2.564 . . . . 0.0 113.559 -176.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.5 p-10 -140.84 52.37 3.05 Favored Pre-proline 0 CA--C 1.578 2.032 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -173.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -69.1 165.53 29.91 Favored 'Trans proline' 0 N--CA 1.503 2.076 0 C-N-CA 122.331 2.021 . . . . 0.0 113.815 -161.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -79.23 -177.8 4.15 Favored 'Trans proline' 0 C--O 1.257 1.461 0 C-N-CA 124.148 3.232 . . . . 0.0 107.858 167.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.1 mtt-85 -63.92 155.4 30.9 Favored 'General case' 1 N--CA 1.545 4.306 0 C-N-CA 125.245 1.418 . . . . 0.0 113.909 176.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 73.2 m -58.2 -32.3 68.15 Favored 'General case' 0 N--CA 1.428 -1.575 0 O-C-N 116.614 -3.803 . . . . 0.0 119.685 -176.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.5 p -40.76 -26.83 0.04 OUTLIER 'General case' 0 N--CA 1.505 2.28 0 N-CA-C 119.194 3.035 . . . . 0.0 119.194 159.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 23.4 mm -109.74 -47.74 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.303 0 CA-C-N 118.82 0.736 . . . . 0.0 110.275 170.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.56 -43.23 45.88 Favored 'General case' 0 CA--C 1.562 1.411 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -176.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 10.2 mmm -65.13 -22.3 66.91 Favored 'General case' 0 N--CA 1.509 2.519 0 O-C-N 121.66 -0.65 . . . . 0.0 110.155 -176.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -63.73 -22.53 66.95 Favored 'General case' 0 C--N 1.38 1.901 0 CA-C-O 117.605 -1.188 . . . . 0.0 112.6 -174.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.55 -27.26 64.39 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 176.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.404 HD12 ' H ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -111.32 -25.31 3.57 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.303 0 N-CA-C 119.471 3.138 . . . . 0.0 119.471 160.249 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -83.0 -23.63 33.23 Favored 'General case' 0 CA--C 1.588 2.432 0 O-C-N 118.464 -2.647 . . . . 0.0 115.404 -174.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -100.92 22.74 11.67 Favored 'General case' 0 C--O 1.196 -1.743 0 CA-C-N 114.724 -1.125 . . . . 0.0 113.435 166.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -136.72 -59.57 0.71 Allowed 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 114.621 -2.609 . . . . 0.0 107.368 -169.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -65.02 163.27 15.04 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 122.27 2.305 . . . . 0.0 111.779 172.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -69.28 -7.86 40.77 Favored 'General case' 0 CA--C 1.579 2.086 0 C-N-CA 128.535 2.734 . . . . 0.0 113.024 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -147.96 146.31 28.92 Favored 'General case' 0 CA--C 1.596 2.749 0 C-N-CA 126.295 1.838 . . . . 0.0 110.653 -170.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 88.2 m -65.94 127.19 31.07 Favored 'General case' 0 N--CA 1.502 2.158 0 CA-C-O 124.698 2.19 . . . . 0.0 111.521 167.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -75.61 132.78 40.86 Favored 'General case' 0 N--CA 1.516 2.872 0 C-N-CA 127.575 2.35 . . . . 0.0 111.272 172.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -72.25 -53.79 11.48 Favored 'General case' 0 C--N 1.373 1.609 0 CA-C-N 112.836 -1.984 . . . . 0.0 108.232 -168.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -128.13 152.69 47.71 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-O 116.373 -1.775 . . . . 0.0 115.315 -175.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -157.61 155.51 30.26 Favored 'General case' 0 C--O 1.269 2.09 0 CA-C-N 125.13 3.604 . . . . 0.0 111.592 170.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.2 m -126.65 141.65 51.79 Favored 'General case' 0 N--CA 1.506 2.364 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -178.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -133.77 125.55 28.75 Favored 'General case' 0 C--O 1.195 -1.795 0 CA-C-O 117.261 -1.352 . . . . 0.0 109.59 -172.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.1 mt -103.74 135.43 45.3 Favored 'General case' 0 N--CA 1.424 -1.727 0 CA-C-O 115.776 -2.059 . . . . 0.0 108.959 -166.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . 0.314 63.8 mtp180 -82.1 64.73 6.91 Favored 'General case' 0 N--CA 1.511 2.578 0 C-N-CA 128.898 2.879 . . . . 0.0 109.749 174.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.7 t -133.7 -165.63 1.66 Allowed 'General case' 0 C--N 1.371 1.514 0 C-N-CA 126.36 1.864 . . . . 0.0 109.771 170.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.6 p -140.44 145.52 37.09 Favored 'General case' 0 CA--C 1.607 3.172 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -51.13 -45.96 61.79 Favored 'General case' 0 CA--C 1.481 -1.703 0 CA-C-O 117.115 -1.422 . . . . 0.0 111.385 -175.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.8 1.08 1.45 Allowed 'General case' 0 N--CA 1.414 -2.273 0 O-C-N 125.973 2.046 . . . . 0.0 112.146 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -119.04 -6.93 10.44 Favored 'General case' 0 N--CA 1.431 -1.4 0 CA-C-O 124.797 2.237 . . . . 0.0 115.426 172.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.6 t -84.66 -28.07 6.81 Favored 'Isoleucine or valine' 0 C--N 1.388 2.272 0 C-N-CA 130.655 3.582 . . . . 0.0 111.732 169.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.2 t -55.96 -35.05 39.48 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.197 0 O-C-N 118.176 -2.828 . . . . 0.0 112.045 173.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -68.13 -25.11 65.12 Favored 'General case' 0 N--CA 1.507 2.409 0 O-C-N 127.811 3.194 . . . . 0.0 117.619 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.1 t -67.69 -30.92 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.382 0 O-C-N 117.226 -3.421 . . . . 0.0 114.94 174.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 72.6 m -65.79 -31.75 72.89 Favored 'General case' 0 C--O 1.208 -1.08 0 CA-C-O 115.619 -2.134 . . . . 0.0 106.088 175.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.02 -13.69 45.23 Favored Glycine 0 C--N 1.38 3.004 0 CA-C-O 127.006 3.559 . . . . 0.0 112.698 -168.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -55.07 173.06 0.1 Allowed 'General case' 0 C--N 1.301 -1.513 0 O-C-N 117.396 -3.414 . . . . 0.0 111.056 163.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -51.97 142.85 14.85 Favored 'General case' 0 N--CA 1.512 2.657 1 O-C-N 116.068 -4.145 . . . . 0.0 117.003 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.6 m -82.02 143.71 31.38 Favored 'General case' 0 N--CA 1.495 1.786 1 O-C-N 113.878 -5.514 . . . . 0.0 114.517 -178.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . 0.269 7.3 pt -137.06 -174.5 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.204 -1.333 0 C-N-CA 131.216 3.807 . . . . 0.0 109.966 177.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.2 ptt-85 -131.84 141.73 49.51 Favored 'General case' 0 N--CA 1.478 0.942 1 C-N-CA 131.711 4.004 . . . . 0.0 116.056 173.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 76.7 m -128.35 155.53 78.31 Favored Pre-proline 0 N--CA 1.392 -3.35 0 C-N-CA 128.893 2.877 . . . . 0.0 115.824 -174.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -91.29 18.19 1.27 Allowed 'Trans proline' 0 CA--C 1.547 1.128 0 O-C-N 124.902 2.001 . . . . 0.0 112.931 -162.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -140.08 39.75 1.95 Allowed 'General case' 0 N--CA 1.508 2.454 0 C-N-CA 124.877 1.271 . . . . 0.0 109.014 -177.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -154.15 12.42 0.42 Allowed 'General case' 0 N--CA 1.519 2.984 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -160.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -51.42 -18.58 1.08 Allowed 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 115.706 1.743 . . . . 0.0 115.706 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.9 p -56.12 -24.45 40.7 Favored 'General case' 0 N--CA 1.51 2.568 0 CA-C-O 125.31 2.481 . . . . 0.0 117.423 171.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -154.7 -10.67 0.13 Allowed 'General case' 0 C--O 1.245 0.863 0 O-C-N 119.772 -1.83 . . . . 0.0 114.468 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 58.8 t30 54.89 47.12 22.98 Favored 'General case' 0 CA--C 1.492 -1.276 0 O-C-N 118.843 -2.411 . . . . 0.0 116.135 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -155.66 120.95 4.86 Favored 'General case' 0 C--O 1.253 1.281 0 O-C-N 117.645 -3.159 . . . . 0.0 108.586 175.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 24.6 p -138.23 -175.61 4.17 Favored 'General case' 0 CA--C 1.621 3.704 0 C-N-CA 129.48 3.112 . . . . 0.0 105.723 174.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -157.45 172.97 17.62 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 125.573 1.549 . . . . 0.0 108.663 -170.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -149.28 157.2 43.15 Favored 'General case' 0 CA--C 1.57 1.715 0 O-C-N 118.245 -2.784 . . . . 0.0 115.483 178.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 27.6 p -70.64 153.52 42.77 Favored 'General case' 0 CA--C 1.49 -1.346 0 C-N-CA 126.019 1.727 . . . . 0.0 113.864 -171.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.9 mtt-85 -86.68 -13.25 46.0 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 118.93 -2.356 . . . . 0.0 111.606 -175.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -164.78 170.71 15.15 Favored 'General case' 0 CA--C 1.58 2.11 0 C-N-CA 126.383 1.873 . . . . 0.0 114.623 -170.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -88.44 143.7 26.83 Favored 'General case' 0 CA--C 1.498 -1.045 0 C-N-CA 125.322 1.449 . . . . 0.0 110.904 -169.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.9 m -127.88 144.99 53.39 Favored Pre-proline 0 N--CA 1.519 3.021 0 C-N-CA 130.055 3.342 . . . . 0.0 110.329 173.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -57.05 144.14 90.76 Favored 'Trans proline' 0 N--CA 1.441 -1.595 1 C-N-CA 126.353 4.702 . . . . 0.0 109.474 162.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -134.22 173.62 11.4 Favored 'General case' 0 C--O 1.272 2.264 1 C-N-CA 134.108 4.963 . . . . 0.0 113.457 175.773 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.8 tp -128.77 154.38 46.44 Favored 'General case' 0 N--CA 1.509 2.479 0 C-N-CA 125.787 1.635 . . . . 0.0 107.355 157.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -136.14 139.25 42.77 Favored 'General case' 0 C--O 1.257 1.493 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 167.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 69.3 m -109.5 148.73 30.7 Favored 'General case' 0 CA--C 1.491 -1.308 0 C-N-CA 125.792 1.637 . . . . 0.0 111.059 -173.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -144.94 88.88 1.92 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 127.0 2.12 . . . . 0.0 110.325 -159.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 17.7 tp -61.74 108.91 1.08 Allowed 'General case' 0 CA--C 1.577 2.001 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 177.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.5 pt -59.65 -9.83 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.581 2.146 0 N-CA-C 117.737 2.495 . . . . 0.0 117.737 -177.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -127.35 122.5 22.91 Favored Pre-proline 0 CA--C 1.592 2.585 0 O-C-N 119.246 -2.159 . . . . 0.0 110.52 -171.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -65.83 -13.69 41.03 Favored 'Trans proline' 0 C--O 1.196 -1.583 1 C-N-CA 125.45 4.1 . . . . 0.0 112.805 172.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -108.63 -25.55 5.68 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 126.208 1.861 . . . . 0.0 115.049 -167.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.02 128.16 34.79 Favored 'General case' 0 CA--C 1.573 1.863 0 C-N-CA 118.971 -1.092 . . . . 0.0 109.61 -174.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -138.82 -2.66 1.7 Allowed 'General case' 0 C--O 1.262 1.736 0 C-N-CA 125.183 1.393 . . . . 0.0 108.847 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -114.4 134.27 55.11 Favored 'General case' 0 C--O 1.284 2.905 0 N-CA-C 116.644 2.091 . . . . 0.0 116.644 164.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 37.2 pt -63.42 -10.44 6.59 Favored 'Isoleucine or valine' 0 C--O 1.273 2.316 0 C-N-CA 124.135 0.974 . . . . 0.0 112.178 -168.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.3 p -48.59 -31.09 6.08 Favored 'General case' 0 CA--C 1.467 -2.246 0 N-CA-C 117.561 2.43 . . . . 0.0 117.561 162.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -139.48 -20.64 0.93 Allowed 'General case' 0 CA--C 1.574 1.903 0 CA-C-O 116.457 -1.735 . . . . 0.0 113.291 -164.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 4.2 m -70.93 120.65 16.81 Favored 'General case' 0 C--O 1.27 2.15 0 O-C-N 125.518 1.761 . . . . 0.0 111.628 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.2 mtt-85 -128.04 165.22 20.73 Favored 'General case' 0 C--O 1.257 1.494 0 C-N-CA 126.805 2.042 . . . . 0.0 111.025 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -144.55 162.11 37.41 Favored 'General case' 0 CA--C 1.586 2.341 0 CA-C-O 123.882 1.801 . . . . 0.0 107.999 -156.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.04 157.9 36.74 Favored 'General case' 0 C--N 1.385 2.118 0 CA-C-N 112.016 -2.356 . . . . 0.0 116.072 163.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -112.8 106.61 14.98 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-O 126.467 3.032 . . . . 0.0 105.918 -163.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -103.8 88.56 1.91 Allowed Pre-proline 0 N--CA 1.534 3.768 0 O-C-N 117.559 -3.213 . . . . 0.0 113.226 172.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -46.99 173.37 0.03 OUTLIER 'Trans proline' 0 CA--C 1.586 3.123 0 C-N-CA 123.366 2.711 . . . . 0.0 116.575 165.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 177.58 -173.01 45.77 Favored Glycine 1 CA--C 1.581 4.159 0 O-C-N 120.066 -1.646 . . . . 0.0 112.125 156.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 56.7 ttt-85 -140.26 103.27 4.55 Favored 'General case' 0 C--N 1.4 2.784 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 -176.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 86.7 mtm-85 -151.43 150.08 30.01 Favored 'General case' 0 N--CA 1.509 2.524 0 N-CA-C 116.327 1.973 . . . . 0.0 116.327 -166.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -62.27 168.64 3.3 Favored 'General case' 0 N--CA 1.499 1.98 0 CA-C-N 112.871 -1.968 . . . . 0.0 109.244 169.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -151.15 154.45 36.93 Favored 'General case' 0 C--O 1.21 -1.0 0 O-C-N 120.399 -1.438 . . . . 0.0 112.893 -177.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.49 132.27 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.184 0 N-CA-C 105.793 -1.929 . . . . 0.0 105.793 -165.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.7 m -148.96 157.88 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 CA-C-O 124.542 2.115 . . . . 0.0 108.348 -164.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -123.47 162.76 22.21 Favored 'General case' 0 C--N 1.373 1.617 0 O-C-N 119.144 -2.223 . . . . 0.0 110.551 167.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 10.6 m -134.95 -179.66 5.75 Favored 'General case' 0 CA--C 1.587 2.402 0 CA-C-N 113.094 -1.867 . . . . 0.0 112.959 -162.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -144.13 164.12 31.59 Favored 'General case' 0 C--O 1.208 -1.127 0 C-N-CA 131.147 3.779 . . . . 0.0 113.454 -176.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -62.11 146.94 49.04 Favored 'General case' 0 C--O 1.262 1.711 0 C-N-CA 125.287 1.435 . . . . 0.0 107.435 169.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -45.06 141.67 2.2 Favored 'General case' 0 N--CA 1.503 2.197 0 CA-C-N 122.199 2.272 . . . . 0.0 112.723 163.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -63.68 152.66 85.74 Favored Pre-proline 0 C--O 1.263 1.779 0 C-N-CA 125.512 1.525 . . . . 0.0 110.696 -171.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -47.97 -27.1 8.3 Favored 'Trans proline' 0 CA--C 1.559 1.766 0 C-N-CA 124.007 3.138 . . . . 0.0 116.118 168.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 61.3 mtm180 -147.97 -32.61 0.26 Allowed 'General case' 0 N--CA 1.531 3.617 0 N-CA-C 119.397 3.11 . . . . 0.0 119.397 168.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -65.02 159.49 23.02 Favored 'General case' 0 N--CA 1.514 2.754 0 CA-C-N 121.869 2.122 . . . . 0.0 116.201 -177.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 48.9 m 40.63 49.91 3.46 Favored Pre-proline 0 C--N 1.369 1.437 0 N-CA-C 118.877 2.917 . . . . 0.0 118.877 170.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -73.14 -10.84 24.79 Favored 'Trans proline' 0 C--N 1.321 -0.919 0 N-CA-C 118.827 2.587 . . . . 0.0 118.827 -169.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -42.47 -28.99 0.25 Allowed 'General case' 0 CA--C 1.475 -1.922 0 CA-C-O 114.727 -2.558 . . . . 0.0 112.742 158.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -124.08 134.62 25.56 Favored Pre-proline 0 N--CA 1.516 2.857 0 CA-C-N 124.05 3.114 . . . . 0.0 112.535 -174.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -73.74 -11.72 24.07 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 O-C-N 127.874 3.565 . . . . 0.0 115.939 -176.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.2 m -141.94 163.42 19.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.771 1 C-N-CA 132.544 4.338 . . . . 0.0 109.041 -174.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 10.0 m -136.56 147.95 61.78 Favored Pre-proline 0 N--CA 1.509 2.519 0 CA-C-O 116.7 -1.619 . . . . 0.0 113.814 156.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -84.44 135.75 6.22 Favored 'Trans proline' 0 CA--C 1.573 2.435 1 C-N-CA 125.559 4.173 . . . . 0.0 108.31 168.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 18.0 m -146.03 6.37 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.265 1.903 1 O-C-N 129.146 4.029 . . . . 0.0 118.57 -163.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -163.26 136.95 5.84 Favored 'General case' 0 CA--C 1.569 1.693 1 O-C-N 115.013 -4.805 . . . . 0.0 109.141 172.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 57.8 tp -84.59 140.56 31.3 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 128.453 2.701 . . . . 0.0 112.078 169.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . 0.267 23.0 t70 -113.83 -54.48 2.6 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 176.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 14.1 t -165.22 175.68 9.06 Favored 'General case' 0 CA--C 1.593 2.632 0 O-C-N 123.973 0.796 . . . . 0.0 110.62 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 49.6 p -131.8 146.93 52.42 Favored 'General case' 0 CA--C 1.58 2.133 0 C-N-CA 126.772 2.029 . . . . 0.0 109.712 163.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.518 2.929 0 N-CA-C 119.355 3.094 . . . . 0.0 119.355 -175.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo . . . . . 0 CA--C 1.536 0.578 0 CA-C-O 124.287 1.703 . . . . 0.0 112.624 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -42.97 -11.22 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.384 1 C-N-CA 127.806 5.671 . . . . 0.0 119.764 -175.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -163.86 5.01 0.04 OUTLIER 'General case' 0 C--O 1.263 1.77 0 O-C-N 118.151 -2.843 . . . . 0.0 114.87 -174.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -147.4 164.21 34.04 Favored 'General case' 0 N--CA 1.504 2.239 0 CA-C-O 123.983 1.849 . . . . 0.0 109.172 178.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.7 p -67.56 167.25 13.29 Favored 'General case' 0 CA--C 1.571 1.775 0 O-C-N 120.234 -1.541 . . . . 0.0 110.23 164.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -78.01 -30.55 50.08 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 117.513 -3.242 . . . . 0.0 105.245 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.43 -42.56 78.28 Favored 'General case' 0 N--CA 1.42 -1.975 0 C-N-CA 127.194 2.198 . . . . 0.0 110.469 171.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -73.42 -44.14 58.97 Favored 'General case' 0 CA--C 1.586 2.328 0 C-N-CA 125.468 1.507 . . . . 0.0 109.851 176.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -69.87 -41.82 74.3 Favored 'General case' 0 N--CA 1.483 1.185 1 O-C-N 116.119 -4.113 . . . . 0.0 114.453 -173.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -53.05 -48.05 67.96 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-O 123.367 1.556 . . . . 0.0 112.842 168.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . 0.257 . . -58.42 -59.01 6.01 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-O 114.843 -2.503 . . . . 0.0 113.76 170.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.82 -16.01 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.279 0 CA-C-N 121.327 1.876 . . . . 0.0 112.407 -177.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -90.95 -14.16 32.1 Favored 'General case' 0 C--N 1.377 1.778 0 C-N-CA 115.958 -2.297 . . . . 0.0 113.163 174.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -169.05 -5.21 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.232 0 CA-C-N 124.832 3.469 . . . . 0.0 115.707 -145.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.7 mm -127.72 99.51 5.3 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.842 0 CA-C-N 124.196 3.18 . . . . 0.0 110.877 -178.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -147.57 105.95 3.78 Favored 'General case' 0 C--O 1.208 -1.118 0 O-C-N 118.068 -2.895 . . . . 0.0 108.219 -170.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.1 tp -50.46 -42.06 53.82 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 129.385 3.074 . . . . 0.0 115.223 -174.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . 0.318 44.6 p-10 -147.85 54.64 1.93 Allowed Pre-proline 0 C--O 1.195 -1.816 0 CA-C-N 119.421 1.01 . . . . 0.0 108.36 -162.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -68.67 167.87 21.63 Favored 'Trans proline' 0 N--CA 1.506 2.255 1 C-N-CA 125.776 4.318 . . . . 0.0 114.576 -157.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -85.91 -166.07 0.31 Allowed 'Trans proline' 0 C--O 1.253 1.252 0 C-N-CA 122.626 2.217 . . . . 0.0 113.141 176.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.4 mtt-85 -68.1 147.72 51.94 Favored 'General case' 0 N--CA 1.417 -2.125 0 C-N-CA 124.759 1.224 . . . . 0.0 110.659 171.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 79.0 m -52.25 -23.06 5.07 Favored 'General case' 0 N--CA 1.507 2.41 0 N-CA-C 119.284 3.068 . . . . 0.0 119.284 168.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.5 p -50.4 -37.81 39.58 Favored 'General case' 0 C--N 1.307 -1.247 0 C-N-CA 125.637 1.575 . . . . 0.0 113.144 163.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.6 mm -99.73 -53.57 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.295 0 N-CA-C 105.67 -1.974 . . . . 0.0 105.67 -172.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . 0.269 . . -66.71 -33.73 76.29 Favored 'General case' 0 CA--C 1.602 2.947 0 C-N-CA 124.543 1.137 . . . . 0.0 113.552 -169.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.7 mmm -71.06 -14.54 62.36 Favored 'General case' 0 N--CA 1.533 3.702 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 176.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -58.08 -34.05 69.74 Favored 'General case' 0 N--CA 1.507 2.42 0 N-CA-C 105.789 -1.93 . . . . 0.0 105.789 177.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.294 . . -57.15 -15.1 4.84 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 126.165 1.786 . . . . 0.0 114.506 -173.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.75 -30.16 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 CA-C-N 120.994 1.724 . . . . 0.0 108.549 167.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -86.46 -22.01 26.72 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-O 126.418 3.009 . . . . 0.0 117.208 -168.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -88.48 -7.75 56.02 Favored 'General case' 0 CA--C 1.581 2.146 0 O-C-N 116.681 -3.762 . . . . 0.0 108.509 171.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -111.57 -19.12 12.64 Favored 'General case' 0 N--CA 1.527 3.397 0 C-N-CA 130.28 3.432 . . . . 0.0 115.335 -169.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -118.21 153.16 34.34 Favored 'General case' 0 C--O 1.252 1.237 0 CA-C-O 124.591 2.139 . . . . 0.0 113.266 170.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -65.06 -3.38 3.56 Favored 'General case' 0 N--CA 1.51 2.544 0 N-CA-C 120.005 3.335 . . . . 0.0 120.005 -170.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -145.98 168.28 21.25 Favored 'General case' 0 C--N 1.368 1.405 0 CA-C-O 125.483 2.563 . . . . 0.0 111.479 158.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 76.9 m -61.9 112.7 2.42 Favored 'General case' 0 N--CA 1.511 2.611 0 O-C-N 117.496 -3.253 . . . . 0.0 112.55 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -62.15 122.28 15.19 Favored 'General case' 0 CA--C 1.597 2.782 0 CA-C-O 114.971 -2.442 . . . . 0.0 112.424 165.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -55.59 -32.6 63.2 Favored 'General case' 0 N--CA 1.414 -2.268 0 N-CA-C 118.652 2.834 . . . . 0.0 118.652 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -147.09 154.17 40.82 Favored 'General case' 0 C--N 1.381 1.944 0 N-CA-C 117.154 2.279 . . . . 0.0 117.154 171.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -163.43 170.95 16.67 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 118.624 -1.231 . . . . 0.0 112.331 164.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 75.9 m -136.59 151.63 49.57 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-O 122.748 1.261 . . . . 0.0 110.273 -173.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -132.44 119.93 21.3 Favored 'General case' 0 CA--C 1.488 -1.442 0 CA-C-N 109.837 -3.347 . . . . 0.0 111.771 -178.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.4 mt -95.52 124.9 39.77 Favored 'General case' 0 C--O 1.197 -1.666 0 N-CA-C 105.444 -2.058 . . . . 0.0 105.444 -167.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -76.96 74.31 3.55 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-O 117.384 -1.293 . . . . 0.0 110.301 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.1 t -149.2 -173.53 4.4 Favored 'General case' 0 N--CA 1.515 2.798 0 C-N-CA 128.515 2.726 . . . . 0.0 111.478 -175.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 34.5 p -137.07 133.29 35.25 Favored 'General case' 0 C--O 1.272 2.238 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -49.92 -36.31 27.11 Favored 'General case' 0 C--O 1.248 0.997 0 O-C-N 118.017 -2.927 . . . . 0.0 115.741 -162.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.4 -27.32 62.28 Favored 'General case' 0 N--CA 1.537 3.908 0 CA-C-O 115.487 -2.197 . . . . 0.0 116.291 174.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -62.32 -43.57 98.51 Favored 'General case' 0 N--CA 1.404 -2.728 0 O-C-N 126.935 2.647 . . . . 0.0 111.016 166.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.2 t -61.36 -32.42 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.537 3.913 0 CA-C-O 116.86 -1.543 . . . . 0.0 110.28 174.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.7 t -69.24 -35.11 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.808 0 CA-C-O 113.523 -3.132 . . . . 0.0 114.86 169.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -63.32 -30.71 71.79 Favored 'General case' 0 C--O 1.191 -2.023 0 C-N-CA 115.059 -2.657 . . . . 0.0 111.8 167.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 32.5 t -67.28 -27.94 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.593 0 O-C-N 119.365 -2.084 . . . . 0.0 111.153 175.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . 0.286 28.5 m -61.41 -8.45 4.07 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 127.373 2.269 . . . . 0.0 113.681 165.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -112.17 -20.11 6.85 Favored Glycine 0 CA--C 1.459 -3.412 0 CA-C-O 116.851 -2.083 . . . . 0.0 116.855 165.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -52.14 163.65 0.36 Allowed 'General case' 0 CA--C 1.59 2.514 0 CA-C-N 120.147 1.973 . . . . 0.0 114.034 165.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -57.66 158.46 6.08 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 -160.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 74.1 m -89.29 131.33 35.43 Favored 'General case' 0 CA--C 1.575 1.913 0 CA-C-O 123.345 1.545 . . . . 0.0 107.674 -176.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.9 pt -133.78 177.4 7.09 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.774 0 C-N-CA 130.326 3.45 . . . . 0.0 109.03 172.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -122.61 142.6 50.46 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 119.002 -2.311 . . . . 0.0 111.789 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 89.9 m -131.07 147.27 65.61 Favored Pre-proline 0 CA--C 1.561 1.369 0 N-CA-C 108.174 -1.046 . . . . 0.0 108.174 -164.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -67.39 -2.24 7.89 Favored 'Trans proline' 0 C--N 1.299 -2.046 1 C-N-CA 128.566 6.177 . . . . 0.0 117.038 -171.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -135.6 34.54 2.95 Favored 'General case' 0 C--O 1.294 3.414 0 C-N-CA 126.285 1.834 . . . . 0.0 109.879 -169.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.276 9.4 t-20 -131.97 16.3 4.69 Favored 'General case' 0 C--O 1.277 2.531 0 CA-C-O 115.354 -2.26 . . . . 0.0 114.562 -156.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 -51.77 -11.54 0.15 Allowed 'General case' 0 N--CA 1.497 1.905 0 C-N-CA 128.021 2.528 . . . . 0.0 114.921 175.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.5 p -72.75 -22.95 60.78 Favored 'General case' 0 C--O 1.244 0.779 0 O-C-N 125.24 1.587 . . . . 0.0 109.696 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -155.54 -20.56 0.11 Allowed 'General case' 0 CA--C 1.575 1.929 0 N-CA-C 119.634 3.198 . . . . 0.0 119.634 -178.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.353 11.6 t-20 76.72 10.58 2.72 Favored 'General case' 1 N--CA 1.561 5.116 0 CA-C-N 113.784 -1.553 . . . . 0.0 115.121 177.972 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -131.62 145.48 51.71 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 125.963 1.705 . . . . 0.0 107.309 -177.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . 0.268 22.8 p -151.23 -179.34 7.26 Favored 'General case' 0 C--O 1.202 -1.438 1 C-N-CA 132.714 4.406 . . . . 0.0 107.657 170.942 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -150.89 165.8 32.53 Favored 'General case' 0 CA--C 1.588 2.411 1 CA-C-N 105.816 -5.175 . . . . 0.0 115.036 -177.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -145.85 145.36 30.72 Favored 'General case' 0 N--CA 1.531 3.577 0 C-N-CA 130.257 3.423 . . . . 0.0 112.206 -174.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.2 p -57.09 140.28 49.78 Favored 'General case' 1 C--N 1.237 -4.31 0 C-N-CA 126.111 1.765 . . . . 0.0 112.798 -175.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -52.69 -40.27 62.76 Favored 'General case' 0 CA--C 1.557 1.248 0 O-C-N 128.658 3.724 . . . . 0.0 113.94 168.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -139.63 159.46 42.11 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.191 -1.568 . . . . 0.0 109.754 -174.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 73.6 mtm180 -65.51 161.43 20.14 Favored 'General case' 0 N--CA 1.426 -1.662 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 173.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.3 m -133.46 145.14 55.2 Favored Pre-proline 0 C--N 1.359 0.993 0 CA-C-N 114.237 -1.347 . . . . 0.0 114.483 161.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -40.25 153.55 0.06 OUTLIER 'Trans proline' 0 C--O 1.205 -1.134 0 O-C-N 115.919 -2.727 . . . . 0.0 111.042 153.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.74 179.07 9.56 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 117.332 2.345 . . . . 0.0 117.332 171.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.8 tp -134.18 104.64 6.28 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 124.313 1.045 . . . . 0.0 112.267 178.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -75.44 154.01 37.31 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 117.174 -1.393 . . . . 0.0 112.147 163.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 60.5 m -142.83 147.61 35.71 Favored 'General case' 0 CA--C 1.475 -1.929 0 C-N-CA 125.096 1.359 . . . . 0.0 109.452 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -156.64 123.52 5.18 Favored 'General case' 0 C--N 1.315 -0.904 0 O-C-N 125.108 1.505 . . . . 0.0 110.532 -153.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.9 tp -73.59 103.47 4.21 Favored 'General case' 0 CA--C 1.578 2.042 0 O-C-N 127.872 3.233 . . . . 0.0 111.023 177.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.366 32.1 pt -74.04 32.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.266 1.968 0 C-N-CA 128.381 2.672 . . . . 0.0 112.493 174.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -148.02 106.39 3.65 Favored Pre-proline 0 C--O 1.256 1.402 0 CA-C-O 115.13 -2.367 . . . . 0.0 111.031 169.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -77.2 19.81 0.69 Allowed 'Trans proline' 0 CA--C 1.561 1.875 0 O-C-N 125.486 2.308 . . . . 0.0 115.631 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -136.14 -13.13 1.05 Allowed Glycine 0 N--CA 1.418 -2.515 1 CA-C-O 111.308 -5.162 . . . . 0.0 112.327 164.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.14 149.03 29.23 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 123.246 3.523 . . . . 0.0 112.588 170.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -143.84 -8.37 0.72 Allowed 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 175.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -122.61 137.51 54.87 Favored 'General case' 0 N--CA 1.499 2.0 0 C-N-CA 130.101 3.361 . . . . 0.0 110.31 -174.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 38.0 pt -63.72 -18.79 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.329 0 O-C-N 116.394 -3.941 . . . . 0.0 113.185 -171.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 64.5 p -56.29 -18.08 9.55 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 118.025 2.602 . . . . 0.0 118.025 160.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -132.52 -13.14 3.01 Favored 'General case' 0 C--N 1.382 2.015 0 N-CA-C 116.307 1.966 . . . . 0.0 116.307 -177.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 72.4 m -74.15 108.16 6.78 Favored 'General case' 0 CA--C 1.565 1.545 0 CA-C-N 111.642 -2.526 . . . . 0.0 109.808 178.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -117.81 146.65 43.7 Favored 'General case' 0 C--O 1.193 -1.87 0 CA-C-N 112.97 -1.923 . . . . 0.0 109.082 -179.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -128.68 162.11 28.12 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 119.392 -2.067 . . . . 0.0 109.052 -163.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -129.17 139.44 51.9 Favored 'General case' 0 C--O 1.248 0.993 0 C-N-CA 127.247 2.219 . . . . 0.0 108.463 169.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . 0.294 1.6 m-20 -66.1 111.66 3.5 Favored 'General case' 0 C--N 1.288 -2.067 0 C-N-CA 129.58 3.152 . . . . 0.0 110.78 158.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -109.27 99.95 38.76 Favored Pre-proline 0 CA--C 1.558 1.276 0 C-N-CA 127.074 2.15 . . . . 0.0 107.788 162.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -71.88 171.9 15.64 Favored 'Trans proline' 0 C--O 1.292 3.203 1 C-N-CA 125.47 4.113 . . . . 0.0 113.819 176.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -175.96 -173.08 41.33 Favored Glycine 0 N--CA 1.512 3.755 1 C-N-CA 130.87 4.081 . . . . 0.0 114.79 174.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -157.67 115.25 3.04 Favored 'General case' 0 C--N 1.403 2.907 0 CA-C-O 113.451 -3.166 . . . . 0.0 106.595 175.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 85.5 mtm-85 -150.2 148.39 28.86 Favored 'General case' 0 CA--C 1.569 1.708 1 O-C-N 131.406 5.441 . . . . 0.0 107.074 -168.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -65.48 164.67 13.49 Favored 'General case' 0 N--CA 1.502 2.168 0 C-N-CA 124.91 1.284 . . . . 0.0 108.415 156.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -151.67 151.63 31.72 Favored 'General case' 0 N--CA 1.52 3.049 0 O-C-N 120.037 -1.664 . . . . 0.0 112.118 -170.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 39.6 t -128.22 125.38 64.17 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.286 0 O-C-N 125.013 1.446 . . . . 0.0 110.476 -160.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.6 m -132.64 170.5 19.84 Favored 'Isoleucine or valine' 0 C--O 1.275 2.423 0 O-C-N 120.862 -1.149 . . . . 0.0 108.315 -171.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -122.08 159.42 27.14 Favored 'General case' 0 N--CA 1.512 2.639 0 CA-C-O 122.664 1.221 . . . . 0.0 109.071 159.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 22.4 m -134.84 151.91 51.31 Favored 'General case' 0 N--CA 1.436 -1.145 0 O-C-N 119.457 -2.027 . . . . 0.0 112.304 -173.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -118.26 170.49 8.85 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 120.873 -1.142 . . . . 0.0 112.432 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -57.98 144.71 38.56 Favored 'General case' 0 N--CA 1.401 -2.884 0 C-N-CA 128.256 2.622 . . . . 0.0 111.337 167.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -39.83 150.25 0.05 Allowed 'General case' 0 N--CA 1.52 3.074 0 CA-C-N 113.557 -1.656 . . . . 0.0 114.447 170.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -72.35 143.62 85.81 Favored Pre-proline 0 N--CA 1.524 3.241 0 CA-C-O 114.852 -2.499 . . . . 0.0 108.019 175.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -47.05 -28.3 7.19 Favored 'Trans proline' 0 N--CA 1.428 -2.341 0 C-N-CA 124.702 3.601 . . . . 0.0 113.237 175.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 117' ' ' ARG . 34.7 mtm105 -133.47 -37.88 0.94 Allowed 'General case' 0 N--CA 1.513 2.692 0 O-C-N 119.522 -1.986 . . . . 0.0 111.135 -166.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.6 158.81 15.29 Favored 'General case' 0 CA--C 1.574 1.873 0 CA-C-O 124.752 2.215 . . . . 0.0 106.674 -161.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.9 m 42.46 67.62 3.31 Favored Pre-proline 0 C--O 1.293 3.361 0 N-CA-C 116.632 2.086 . . . . 0.0 116.632 175.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -76.16 -2.96 13.23 Favored 'Trans proline' 0 CA--C 1.58 2.79 0 N-CA-C 119.195 2.729 . . . . 0.0 119.195 -169.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . 0.288 23.7 ttm180 -73.6 -14.37 61.17 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.01 -1.681 . . . . 0.0 114.575 174.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 11.0 m-30 -114.63 132.17 23.02 Favored Pre-proline 0 N--CA 1.42 -1.954 0 C-N-CA 127.337 2.255 . . . . 0.0 106.97 -173.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -85.78 -30.58 0.42 Allowed 'Trans proline' 0 N--CA 1.417 -3.003 0 C-N-CA 124.809 3.673 . . . . 0.0 112.645 166.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.44 145.3 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 CA-C-O 116.491 -1.719 . . . . 0.0 107.799 175.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 19.4 m -133.92 149.15 70.94 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 127.789 3.181 . . . . 0.0 118.261 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -79.41 144.53 18.08 Favored 'Trans proline' 0 C--O 1.28 2.625 0 C-N-CA 124.413 3.409 . . . . 0.0 108.156 -171.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 16.1 m -138.08 -32.18 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.268 2.079 0 C-N-CA 126.754 2.022 . . . . 0.0 114.453 -165.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -144.04 162.53 35.98 Favored 'General case' 0 C--N 1.294 -1.82 0 C-N-CA 125.47 1.508 . . . . 0.0 109.762 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 19.9 tp -137.02 130.58 31.61 Favored 'General case' 0 C--O 1.196 -1.735 0 CA-C-O 112.039 -3.838 . . . . 0.0 106.87 -176.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.75 -46.15 3.16 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 123.001 2.637 . . . . 0.0 114.606 -170.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.0 t -148.06 171.01 16.52 Favored 'General case' 0 CA--C 1.598 2.79 0 O-C-N 124.548 1.155 . . . . 0.0 109.006 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 33.5 p -137.03 138.86 40.93 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 103.181 -2.896 . . . . 0.0 103.181 167.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.502 2.171 0 C-N-CA 125.104 1.362 . . . . 0.0 114.516 -173.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo . . . . . 0 CA--C 1.592 3.411 0 CA-C-O 122.788 1.078 . . . . 0.0 112.577 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 0.0 OUTLIER -47.89 -44.25 27.71 Favored 'Trans proline' 0 N--CA 1.503 2.055 0 C-N-CA 125.167 3.912 . . . . 0.0 116.873 -144.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -131.22 14.6 5.12 Favored 'General case' 0 CA--C 1.567 1.633 0 CA-C-O 113.019 -3.372 . . . . 0.0 117.784 175.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -139.95 163.8 31.69 Favored 'General case' 0 C--N 1.308 -1.232 1 O-C-N 129.3 4.125 . . . . 0.0 110.485 -165.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . 0.265 3.0 p -75.41 152.5 38.0 Favored 'General case' 0 N--CA 1.533 3.705 0 O-C-N 119.438 -2.039 . . . . 0.0 112.763 153.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -58.87 -37.01 75.57 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 117.333 -1.318 . . . . 0.0 113.214 -175.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . 0.298 . . -54.27 -53.78 49.01 Favored 'General case' 0 C--N 1.365 1.242 0 O-C-N 126.958 2.661 . . . . 0.0 115.216 166.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -56.81 -58.02 9.94 Favored 'General case' 0 CA--C 1.444 -3.113 0 CA-C-O 124.391 2.043 . . . . 0.0 114.725 175.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.268 4.8 t-105 -46.37 -28.42 1.34 Allowed 'General case' 0 C--N 1.416 3.464 0 O-C-N 118.174 -2.829 . . . . 0.0 115.398 168.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.415 ' CE2' ' HB2' ' A' ' 126' ' ' PRO . 35.9 t80 -76.19 -36.72 58.54 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 126.372 1.869 . . . . 0.0 110.561 175.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.06 -34.32 24.25 Favored 'General case' 0 N--CA 1.416 -2.131 0 O-C-N 125.66 1.85 . . . . 0.0 109.749 -170.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.5 mt -60.1 -38.46 77.02 Favored 'Isoleucine or valine' 0 C--N 1.359 1.004 0 C-N-CA 127.468 2.307 . . . . 0.0 114.65 170.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -85.95 -19.46 30.42 Favored 'General case' 0 CA--C 1.578 2.032 0 CA-C-O 115.13 -2.367 . . . . 0.0 109.634 -176.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -147.18 -14.21 0.41 Allowed 'General case' 0 CA--C 1.588 2.44 0 CA-C-N 124.319 3.236 . . . . 0.0 115.649 -164.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 46.2 mm -133.41 112.61 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 1 O-C-N 114.711 -4.993 . . . . 0.0 110.402 -163.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.8 m -155.57 108.75 2.74 Favored 'General case' 0 CA--C 1.475 -1.936 0 N-CA-C 101.861 -3.385 . . . . 0.0 101.861 -170.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.5 tp -41.35 -59.0 1.68 Allowed 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 122.202 2.273 . . . . 0.0 113.299 164.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -131.91 76.88 73.13 Favored Pre-proline 0 N--CA 1.489 1.494 1 O-C-N 129.578 4.299 . . . . 0.0 110.6 -175.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -59.43 156.88 33.7 Favored 'Trans proline' 0 C--N 1.379 2.179 1 C-N-CA 127.719 5.613 . . . . 0.0 112.62 176.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -77.73 172.57 15.5 Favored 'Trans proline' 0 C--N 1.352 0.717 0 CA-C-N 121.108 1.432 . . . . 0.0 113.598 156.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -41.42 136.03 1.87 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 126.903 2.627 . . . . 0.0 112.336 168.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 83.5 m -44.18 -35.7 2.34 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-O 113.902 -2.951 . . . . 0.0 112.314 174.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.6 p -52.63 -28.43 21.36 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 122.778 2.535 . . . . 0.0 112.069 172.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.5 mm -94.52 -43.97 13.27 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.143 0 C-N-CA 127.978 2.511 . . . . 0.0 112.673 178.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.81 -20.32 59.82 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 122.371 1.082 . . . . 0.0 113.399 -162.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 68.0 mmm -84.27 -19.13 34.36 Favored 'General case' 0 CA--C 1.499 -1.004 0 C-N-CA 125.78 1.632 . . . . 0.0 109.025 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -72.86 -20.12 61.17 Favored 'General case' 0 C--N 1.371 1.53 0 O-C-N 119.201 -2.187 . . . . 0.0 106.34 -176.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.53 -31.33 6.33 Favored 'General case' 0 C--O 1.201 -1.456 0 CA-C-O 117.523 -1.227 . . . . 0.0 113.228 165.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.3 pt -128.52 -39.47 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.225 0 CA-C-N 122.132 2.242 . . . . 0.0 112.578 -173.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.299 2.4 m-20 -63.91 -29.34 70.52 Favored 'General case' 0 N--CA 1.427 -1.593 0 O-C-N 118.549 -2.594 . . . . 0.0 117.116 171.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -108.83 45.65 1.02 Allowed 'General case' 0 C--O 1.203 -1.378 0 O-C-N 125.852 1.97 . . . . 0.0 108.712 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -156.25 -30.24 0.09 Allowed 'General case' 1 CA--C 1.632 4.132 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -91.0 161.92 14.94 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 128.533 2.733 . . . . 0.0 110.23 165.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 25.3 p-90 -66.37 -21.5 66.23 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 -172.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -145.97 175.95 10.06 Favored 'General case' 0 N--CA 1.528 3.459 0 CA-C-O 124.684 2.183 . . . . 0.0 107.798 176.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 38.9 m -85.75 125.93 33.6 Favored 'General case' 0 CA--C 1.565 1.553 0 CA-C-O 113.641 -3.076 . . . . 0.0 111.842 -168.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -64.09 127.79 32.98 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-N 122.242 2.292 . . . . 0.0 111.942 162.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -59.79 -51.63 68.91 Favored 'General case' 0 CA--C 1.585 2.308 0 C-N-CA 126.351 1.86 . . . . 0.0 111.934 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -134.46 151.07 50.92 Favored 'General case' 0 C--O 1.256 1.429 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.309 -173.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -148.35 171.04 16.64 Favored 'General case' 0 CA--C 1.591 2.556 0 O-C-N 124.782 1.301 . . . . 0.0 110.634 165.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.7 m -139.13 136.5 35.2 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 126.075 1.75 . . . . 0.0 113.927 168.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -114.77 131.16 56.88 Favored 'General case' 0 CA--C 1.58 2.113 0 N-CA-C 104.717 -2.327 . . . . 0.0 104.717 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.5 mt -87.32 131.28 34.31 Favored 'General case' 0 N--CA 1.504 2.23 0 C-N-CA 129.42 3.088 . . . . 0.0 109.129 170.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . 0.343 15.2 mtp180 -78.63 64.59 3.69 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 130.076 3.35 . . . . 0.0 113.145 173.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.347 12.9 t -147.88 179.49 7.68 Favored 'General case' 0 C--O 1.186 -2.26 0 C-N-CA 130.454 3.502 . . . . 0.0 115.468 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.0 p -109.51 146.93 33.78 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 128.828 2.851 . . . . 0.0 113.732 -175.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -57.64 -37.11 72.76 Favored 'General case' 0 C--N 1.384 2.073 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 -174.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.93 -29.16 64.92 Favored 'General case' 0 N--CA 1.398 -3.055 0 N-CA-C 116.535 2.05 . . . . 0.0 116.535 173.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -90.18 -23.5 21.29 Favored 'General case' 0 C--O 1.278 2.558 0 O-C-N 119.742 -1.849 . . . . 0.0 108.731 -175.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.7 t -71.5 -27.55 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.331 0 CA-C-N 122.19 2.268 . . . . 0.0 110.385 163.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.422 HG22 ' CD1' ' A' ' 122' ' ' TYR . 6.1 t -64.14 -23.56 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 O-C-N 116.713 -3.742 . . . . 0.0 116.269 164.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -65.55 -35.49 81.01 Favored 'General case' 0 N--CA 1.413 -2.312 0 CA-C-O 117.37 -1.3 . . . . 0.0 112.027 166.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 65.0 t -79.63 -23.75 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.742 0 C-N-CA 127.476 2.31 . . . . 0.0 116.322 -172.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.6 m -55.74 -28.79 57.71 Favored 'General case' 0 N--CA 1.517 2.911 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 154.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.8 -5.24 57.65 Favored Glycine 0 C--O 1.25 1.142 0 O-C-N 127.841 3.213 . . . . 0.0 114.496 -173.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -83.77 147.46 27.59 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 130.542 3.537 . . . . 0.0 108.441 170.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -45.69 124.03 4.8 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 116.689 2.107 . . . . 0.0 116.689 -166.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 m -57.19 134.45 55.91 Favored 'General case' 0 C--O 1.255 1.346 0 O-C-N 119.329 -2.107 . . . . 0.0 116.267 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.2 pt -132.44 172.29 16.64 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.29 1 C-N-CA 131.958 4.103 . . . . 0.0 113.021 -178.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.65 144.14 26.96 Favored 'General case' 0 CA--C 1.483 -1.606 0 C-N-CA 128.701 2.8 . . . . 0.0 117.663 167.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 89.3 m -141.96 158.38 62.16 Favored Pre-proline 0 N--CA 1.509 2.504 0 CA-C-O 117.277 -1.344 . . . . 0.0 114.313 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -88.47 16.28 1.9 Allowed 'Trans proline' 0 C--N 1.367 1.502 0 N-CA-C 118.859 2.6 . . . . 0.0 118.859 -161.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -130.02 25.51 5.25 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 119.451 -2.031 . . . . 0.0 115.951 165.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -120.37 9.03 10.88 Favored 'General case' 0 N--CA 1.503 2.21 0 CA-C-N 115.167 -0.924 . . . . 0.0 113.149 -161.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 42.0 ptt85 -49.28 -31.93 9.92 Favored 'General case' 0 N--CA 1.428 -1.548 0 N-CA-C 117.978 2.584 . . . . 0.0 117.978 -176.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.76 -13.08 61.61 Favored 'General case' 0 N--CA 1.523 3.205 0 CA-C-N 121.6 2.0 . . . . 0.0 113.085 -175.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -127.29 -14.51 5.36 Favored 'General case' 0 C--O 1.194 -1.839 0 N-CA-C 118.297 2.702 . . . . 0.0 118.297 169.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 39.5 t30 54.88 36.86 27.59 Favored 'General case' 0 C--O 1.256 1.433 0 CA-C-N 120.191 1.36 . . . . 0.0 113.207 173.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -157.44 118.38 3.57 Favored 'General case' 0 C--N 1.36 1.051 0 CA-C-O 124.377 2.037 . . . . 0.0 109.197 -173.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 21.8 p -142.1 172.79 12.21 Favored 'General case' 0 C--O 1.251 1.144 0 O-C-N 120.345 -1.472 . . . . 0.0 108.831 177.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -137.85 163.02 32.45 Favored 'General case' 0 N--CA 1.401 -2.888 0 C-N-CA 127.327 2.251 . . . . 0.0 114.349 -177.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -129.84 151.62 50.22 Favored 'General case' 0 C--O 1.183 -2.438 0 C-N-CA 129.514 3.125 . . . . 0.0 110.641 167.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.6 p -60.02 163.35 4.8 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 124.227 1.011 . . . . 0.0 112.868 174.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -92.33 -13.12 30.72 Favored 'General case' 0 C--N 1.362 1.13 1 O-C-N 116.142 -4.099 . . . . 0.0 112.574 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -156.05 174.48 15.3 Favored 'General case' 0 C--O 1.256 1.442 0 CA-C-O 127.996 3.76 . . . . 0.0 111.174 -179.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 74.1 mtm180 -72.43 154.5 40.85 Favored 'General case' 0 N--CA 1.513 2.68 0 O-C-N 117.141 -3.474 . . . . 0.0 108.953 175.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.6 m -137.71 154.32 74.72 Favored Pre-proline 0 C--N 1.364 1.209 0 N-CA-C 106.343 -1.725 . . . . 0.0 106.343 174.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -57.17 148.57 69.04 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 O-C-N 125.123 2.118 . . . . 0.0 116.987 149.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 pp -154.86 168.35 27.21 Favored 'General case' 0 C--O 1.273 2.297 0 CA-C-O 128.381 3.943 . . . . 0.0 108.42 -173.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 tp -140.07 117.36 11.31 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-O 126.65 3.119 . . . . 0.0 112.468 163.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 45.9 t60 -84.96 156.94 20.95 Favored 'General case' 0 C--N 1.379 1.891 0 O-C-N 117.86 -3.025 . . . . 0.0 110.111 164.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 95.6 m -137.33 144.98 42.85 Favored 'General case' 0 CA--C 1.589 2.448 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -144.7 143.22 30.61 Favored 'General case' 1 N--CA 1.539 4.002 0 O-C-N 125.282 1.613 . . . . 0.0 114.43 -165.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.1 tp -72.87 107.64 5.38 Favored 'General case' 0 C--O 1.258 1.517 0 O-C-N 123.917 0.761 . . . . 0.0 111.769 175.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 pt -80.29 -5.26 8.16 Favored 'Isoleucine or valine' 0 C--O 1.255 1.346 0 CA-C-N 119.755 1.161 . . . . 0.0 112.752 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -121.29 69.41 20.76 Favored Pre-proline 0 CA--C 1.557 1.249 0 O-C-N 117.509 -3.244 . . . . 0.0 114.59 173.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . 0.253 59.0 Cg_exo -42.89 -32.3 2.57 Favored 'Trans proline' 0 C--N 1.384 2.403 0 N-CA-C 120.629 3.28 . . . . 0.0 120.629 177.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -85.93 44.57 3.36 Favored Glycine 0 N--CA 1.488 2.122 0 CA-C-N 120.572 1.533 . . . . 0.0 111.935 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -144.32 155.36 43.78 Favored 'General case' 0 CA--C 1.561 1.398 0 O-C-N 120.347 -1.678 . . . . 0.0 111.052 175.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -148.03 -17.24 0.35 Allowed 'General case' 0 C--N 1.367 1.329 0 O-C-N 119.315 -2.116 . . . . 0.0 106.844 -175.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -104.59 137.39 42.49 Favored 'General case' 0 N--CA 1.438 -1.069 0 O-C-N 119.897 -1.752 . . . . 0.0 109.459 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.264 2.8 pp -54.57 -18.09 2.62 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.548 0 O-C-N 119.436 -2.04 . . . . 0.0 115.754 -177.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 85.7 p -61.28 -18.58 59.16 Favored 'General case' 0 C--O 1.213 -0.853 1 O-C-N 115.371 -4.581 . . . . 0.0 116.13 171.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -129.15 -10.05 4.76 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 117.557 -3.214 . . . . 0.0 119.298 170.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 76.6 m -59.5 122.91 15.21 Favored 'General case' 0 C--N 1.378 1.815 0 C-N-CA 126.465 1.906 . . . . 0.0 113.196 172.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -132.8 144.51 50.29 Favored 'General case' 0 N--CA 1.519 2.977 0 C-N-CA 131.11 3.764 . . . . 0.0 107.809 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -123.84 154.0 40.24 Favored 'General case' 1 CA--C 1.631 4.08 0 C-N-CA 129.479 3.112 . . . . 0.0 111.116 -170.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.81 166.26 24.01 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 117.776 -3.078 . . . . 0.0 109.395 165.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . 0.272 8.7 m-20 -83.35 129.25 34.98 Favored 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 129.379 3.072 . . . . 0.0 109.278 -170.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . 0.4 0.6 OUTLIER -125.05 57.75 16.91 Favored Pre-proline 0 CA--C 1.585 2.32 0 C-N-CA 127.319 2.247 . . . . 0.0 115.302 174.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -65.87 158.34 54.41 Favored 'Trans proline' 0 C--O 1.198 -1.494 1 C-N-CA 125.542 4.161 . . . . 0.0 112.687 -174.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 170.74 175.42 39.38 Favored Glycine 0 CA--C 1.575 3.825 0 CA-C-N 122.204 2.274 . . . . 0.0 112.208 -172.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -132.14 109.17 9.78 Favored 'General case' 1 CA--C 1.639 4.397 0 N-CA-C 116.52 2.045 . . . . 0.0 116.52 176.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 68.7 mtm-85 -137.91 170.62 15.73 Favored 'General case' 0 N--CA 1.526 3.326 0 C-N-CA 128.625 2.77 . . . . 0.0 114.859 -176.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -71.59 174.87 6.12 Favored 'General case' 0 C--O 1.194 -1.824 0 O-C-N 120.37 -1.456 . . . . 0.0 112.517 157.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -150.04 155.72 40.4 Favored 'General case' 0 N--CA 1.412 -2.355 0 O-C-N 125.539 1.775 . . . . 0.0 114.631 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.3 t -135.72 128.95 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.606 0 CA-C-N 113.99 -1.459 . . . . 0.0 110.635 -169.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 22.2 m -128.08 177.88 5.49 Favored 'Isoleucine or valine' 0 C--O 1.264 1.827 0 C-N-CA 131.285 3.834 . . . . 0.0 113.382 -172.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -134.01 151.36 51.41 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 126.341 1.857 . . . . 0.0 110.367 158.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 96.8 m -127.5 171.26 11.75 Favored 'General case' 0 CA--C 1.564 1.501 0 N-CA-C 117.238 2.31 . . . . 0.0 117.238 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -144.28 173.32 11.87 Favored 'General case' 0 CA--C 1.498 -1.02 0 C-N-CA 127.48 2.312 . . . . 0.0 114.138 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -56.08 166.29 0.82 Allowed 'General case' 0 CA--C 1.484 -1.584 0 CA-C-O 125.351 2.5 . . . . 0.0 113.05 160.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -54.9 153.81 5.88 Favored 'General case' 0 CA--C 1.562 1.416 0 O-C-N 118.343 -2.723 . . . . 0.0 113.376 169.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.49 146.43 89.67 Favored Pre-proline 0 N--CA 1.517 2.892 0 C-N-CA 127.584 2.354 . . . . 0.0 110.862 148.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -57.83 -33.11 96.51 Favored 'Trans proline' 0 N--CA 1.433 -2.068 0 C-N-CA 122.182 1.921 . . . . 0.0 114.634 -172.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -126.9 -24.5 3.48 Favored 'General case' 0 C--N 1.38 1.905 1 CA-C-O 110.471 -4.585 . . . . 0.0 113.075 -172.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -79.22 127.63 32.29 Favored 'General case' 0 CA--C 1.56 1.35 0 CA-C-N 125.19 3.632 . . . . 0.0 113.822 -174.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 67.7 m 51.17 70.92 1.71 Allowed Pre-proline 0 CA--C 1.572 1.808 0 N-CA-C 116.033 1.864 . . . . 0.0 116.033 172.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -51.99 -22.72 15.07 Favored 'Trans proline' 0 C--O 1.263 1.759 0 N-CA-C 120.262 3.139 . . . . 0.0 120.262 -178.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -51.79 -16.37 0.67 Allowed 'General case' 0 C--O 1.192 -1.946 0 N-CA-C 119.807 3.262 . . . . 0.0 119.807 166.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.422 ' CD1' HG22 ' A' ' 52' ' ' VAL . 23.2 m-85 -122.18 75.82 41.41 Favored Pre-proline 0 N--CA 1.409 -2.523 0 O-C-N 125.202 1.564 . . . . 0.0 110.241 -168.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -56.13 -22.78 41.39 Favored 'Trans proline' 0 C--O 1.253 1.25 1 C-N-CA 125.67 4.247 . . . . 0.0 114.769 177.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.8 m -129.43 161.11 39.56 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.518 0 C-N-CA 126.617 1.967 . . . . 0.0 107.473 167.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 17.8 m -151.46 143.48 16.13 Favored Pre-proline 0 CA--C 1.556 1.198 0 O-C-N 119.883 -1.761 . . . . 0.0 109.113 -176.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.415 ' HB2' ' CE2' ' A' ' 11' ' ' PHE . 66.3 Cg_endo -70.72 135.93 29.29 Favored 'Trans proline' 0 N--CA 1.418 -2.957 1 C-N-CA 126.764 4.976 . . . . 0.0 113.081 171.034 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . 0.264 27.6 m -122.19 -11.18 8.3 Favored 'Isoleucine or valine' 0 C--O 1.293 3.356 0 O-C-N 127.437 2.961 . . . . 0.0 113.733 -170.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -165.92 154.13 10.92 Favored 'General case' 0 C--N 1.399 2.735 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 20.5 tp -127.45 144.56 51.04 Favored 'General case' 0 C--N 1.309 -1.166 0 C-N-CA 127.969 2.508 . . . . 0.0 110.849 166.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -131.25 -27.77 1.97 Allowed 'General case' 0 C--N 1.291 -1.972 0 O-C-N 121.589 -0.694 . . . . 0.0 111.877 -159.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . 0.263 6.8 t -164.99 170.11 15.58 Favored 'General case' 0 C--O 1.26 1.644 1 C-N-CA 132.072 4.149 . . . . 0.0 110.114 179.514 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 73.4 p -143.63 125.54 15.23 Favored 'General case' 0 C--N 1.375 1.71 0 N-CA-C 105.151 -2.166 . . . . 0.0 105.151 170.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.369 1.44 0 N-CA-C 118.322 2.712 . . . . 0.0 118.322 -166.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo . . . . . 0 CA--C 1.578 2.696 0 CA-C-O 115.426 -1.989 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.287 70.8 Cg_endo -66.1 -15.5 48.78 Favored 'Trans proline' 0 C--N 1.3 -2.004 0 C-N-CA 125.083 3.855 . . . . 0.0 118.489 -175.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.26 26.8 pt20 -154.14 16.58 0.48 Allowed 'General case' 0 N--CA 1.439 -0.989 0 CA-C-O 115.27 -2.3 . . . . 0.0 109.178 -165.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -153.29 169.32 23.36 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 119.158 3.021 . . . . 0.0 119.158 -176.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.8 p -61.7 155.35 22.91 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 150.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -49.75 -37.18 28.46 Favored 'General case' 0 CA--C 1.562 1.429 0 O-C-N 119.358 -2.089 . . . . 0.0 114.522 148.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.9 -37.22 62.15 Favored 'General case' 0 N--CA 1.499 2.015 0 CA-C-N 121.198 1.817 . . . . 0.0 114.704 -174.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -64.1 -37.06 86.08 Favored 'General case' 0 CA--C 1.577 1.991 0 O-C-N 120.133 -1.604 . . . . 0.0 111.074 171.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -77.37 -28.84 53.04 Favored 'General case' 0 C--N 1.358 0.978 0 C-N-CA 123.063 0.545 . . . . 0.0 111.252 -172.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -53.53 -59.85 4.07 Favored 'General case' 0 N--CA 1.511 2.608 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 158.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.35 -41.93 90.37 Favored 'General case' 0 CA--C 1.559 1.325 0 O-C-N 121.158 -0.963 . . . . 0.0 111.664 -170.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.3 mt -62.16 -33.92 61.06 Favored 'Isoleucine or valine' 0 C--N 1.357 0.902 0 C-N-CA 119.302 -0.959 . . . . 0.0 110.817 176.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -71.52 -39.74 70.57 Favored 'General case' 0 C--O 1.288 3.122 0 CA-C-O 118.436 -0.793 . . . . 0.0 113.042 178.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -130.94 -9.34 3.89 Favored 'General case' 0 C--O 1.184 -2.377 0 N-CA-C 120.811 3.634 . . . . 0.0 120.811 -162.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 47.8 mm -122.73 99.15 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.028 1 O-C-N 114.916 -4.865 . . . . 0.0 110.244 -172.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.2 m -142.5 104.91 4.47 Favored 'General case' 0 CA--C 1.561 1.395 0 N-CA-C 104.817 -2.29 . . . . 0.0 104.817 -171.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.8 tp -64.46 -35.03 79.61 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 123.83 1.776 . . . . 0.0 111.268 -174.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -149.73 72.62 9.69 Favored Pre-proline 0 C--N 1.311 -1.07 0 O-C-N 118.468 -2.645 . . . . 0.0 109.103 -173.096 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -69.34 166.65 26.34 Favored 'Trans proline' 0 C--N 1.371 1.719 0 O-C-N 124.651 1.869 . . . . 0.0 112.065 -176.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -82.65 171.04 12.39 Favored 'Trans proline' 1 CA--C 1.612 4.377 1 C-N-CA 126.874 5.05 . . . . 0.0 109.432 160.79 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.5 mtt-85 -46.8 144.12 2.52 Favored 'General case' 0 C--O 1.252 1.214 0 C-N-CA 128.011 2.525 . . . . 0.0 110.237 176.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.461 ' SG ' ' HA ' ' A' ' 100' ' ' ASP . 93.3 m -57.23 -22.1 38.61 Favored 'General case' 0 N--CA 1.519 3.009 0 CA-C-O 114.766 -2.54 . . . . 0.0 117.537 -176.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 p -48.36 -27.44 2.58 Favored 'General case' 0 N--CA 1.512 2.668 0 C-N-CA 126.836 2.054 . . . . 0.0 113.931 164.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.4 mm -118.7 -39.64 2.05 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.101 0 CA-C-O 114.249 -2.786 . . . . 0.0 105.506 -170.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.72 -28.85 69.35 Favored 'General case' 0 C--O 1.266 1.925 0 CA-C-O 114.114 -2.85 . . . . 0.0 109.822 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 29.1 mmm -63.45 -16.21 59.95 Favored 'General case' 0 CA--C 1.487 -1.457 0 CA-C-N 125.049 3.568 . . . . 0.0 111.994 173.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -68.41 -20.16 64.65 Favored 'General case' 0 C--O 1.192 -1.934 0 C-N-CA 125.211 1.404 . . . . 0.0 113.732 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -24.39 66.52 Favored 'General case' 0 N--CA 1.425 -1.72 0 C-N-CA 126.52 1.928 . . . . 0.0 113.015 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 16.3 pt -126.75 -39.04 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.187 0 O-C-N 125.466 1.729 . . . . 0.0 113.978 172.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.354 42.7 m-20 -72.01 -13.01 61.5 Favored 'General case' 0 N--CA 1.42 -1.936 0 N-CA-C 118.796 2.888 . . . . 0.0 118.796 -174.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -110.96 30.44 6.86 Favored 'General case' 0 CA--C 1.624 3.8 1 O-C-N 116.246 -4.034 . . . . 0.0 107.2 173.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -152.91 -54.45 0.12 Allowed 'General case' 0 N--CA 1.498 1.967 0 C-N-CA 128.765 2.826 . . . . 0.0 105.709 -162.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -79.22 162.42 25.73 Favored 'General case' 0 C--O 1.253 1.282 0 CA-C-N 121.304 1.865 . . . . 0.0 112.323 166.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -68.24 -11.73 59.83 Favored 'General case' 0 CA--C 1.575 1.941 0 C-N-CA 126.424 1.89 . . . . 0.0 113.005 -167.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -155.64 140.26 16.96 Favored 'General case' 0 N--CA 1.499 1.996 0 CA-C-O 122.026 0.917 . . . . 0.0 110.226 -169.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.8 m -49.19 103.7 0.05 Allowed 'General case' 0 CA--C 1.567 1.622 0 C-N-CA 129.465 3.106 . . . . 0.0 111.013 167.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.569 ' HE2' ' O ' ' A' ' 40' ' ' GLN . 56.7 tttt -66.24 126.64 29.35 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 116.881 -3.637 . . . . 0.0 110.011 166.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -60.64 -43.37 97.63 Favored 'General case' 0 N--CA 1.39 -3.444 0 C-N-CA 128.928 2.891 . . . . 0.0 118.684 -170.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.569 ' O ' ' HE2' ' A' ' 38' ' ' LYS . 34.0 mm-40 -135.78 148.56 48.8 Favored 'General case' 0 C--O 1.196 -1.745 0 C-N-CA 125.05 1.34 . . . . 0.0 108.091 176.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -150.38 163.28 38.75 Favored 'General case' 0 CA--C 1.587 2.377 0 O-C-N 116.666 -3.771 . . . . 0.0 108.348 172.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.7 m -139.61 135.2 33.08 Favored 'General case' 0 N--CA 1.508 2.449 0 C-N-CA 125.506 1.522 . . . . 0.0 114.711 175.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -122.06 117.95 27.57 Favored 'General case' 0 CA--C 1.579 2.068 0 O-C-N 124.897 1.373 . . . . 0.0 108.101 -173.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -77.72 134.96 37.99 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 127.583 2.353 . . . . 0.0 115.366 172.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -93.82 65.73 3.61 Favored 'General case' 0 CA--C 1.589 2.459 0 CA-C-O 124.801 2.238 . . . . 0.0 107.147 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.298 6.3 t -135.1 175.65 9.39 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 118.106 -2.871 . . . . 0.0 108.183 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.0 p -97.47 152.4 19.01 Favored 'General case' 0 C--O 1.195 -1.765 0 O-C-N 120.803 -1.185 . . . . 0.0 109.64 173.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -49.74 -49.65 47.26 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 118.519 -2.613 . . . . 0.0 112.959 -175.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.29 -28.86 70.01 Favored 'General case' 0 C--N 1.305 -1.355 1 O-C-N 130.632 4.957 . . . . 0.0 111.575 -172.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -71.97 -26.98 62.48 Favored 'General case' 0 C--O 1.204 -1.326 0 CA-C-O 114.768 -2.539 . . . . 0.0 111.189 174.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.0 t -80.15 -36.18 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 CA-C-N 120.372 1.442 . . . . 0.0 110.737 171.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.1 t -53.78 -32.62 21.9 Favored 'Isoleucine or valine' 0 C--O 1.255 1.384 0 CA-C-O 115.241 -2.314 . . . . 0.0 111.85 175.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -71.12 -18.67 62.51 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 125.659 3.845 . . . . 0.0 114.834 176.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.4 t -74.32 -27.85 22.11 Favored 'Isoleucine or valine' 0 C--O 1.273 2.32 0 C-N-CA 126.887 2.075 . . . . 0.0 113.306 166.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 21.3 m -56.4 -45.08 80.81 Favored 'General case' 0 C--N 1.402 2.853 0 CA-C-O 122.23 1.014 . . . . 0.0 110.492 159.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.49 4.93 0.12 Allowed Glycine 1 N--CA 1.519 4.183 0 N-CA-C 121.248 3.259 . . . . 0.0 121.248 166.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -95.57 174.01 7.21 Favored 'General case' 0 N--CA 1.534 3.752 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 -175.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -46.97 147.77 1.27 Allowed 'General case' 0 CA--C 1.622 3.715 0 O-C-N 118.809 -2.432 . . . . 0.0 111.807 166.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.4 m -90.8 139.67 30.52 Favored 'General case' 0 N--CA 1.507 2.381 0 CA-C-N 122.585 2.448 . . . . 0.0 110.248 171.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.6 pt -137.96 -175.25 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 CA-C-O 126.143 2.878 . . . . 0.0 112.07 -177.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -109.97 148.37 31.76 Favored 'General case' 0 CA--C 1.49 -1.346 0 O-C-N 117.578 -3.201 . . . . 0.0 111.011 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 72.9 m -137.54 150.36 68.12 Favored Pre-proline 0 N--CA 1.48 1.062 0 O-C-N 125.011 1.444 . . . . 0.0 114.105 -173.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . 0.296 96.7 Cg_endo -72.8 -1.53 10.55 Favored 'Trans proline' 0 C--N 1.326 -0.624 1 C-N-CA 125.369 4.046 . . . . 0.0 112.485 -163.498 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -142.82 35.2 1.4 Allowed 'General case' 0 CA--C 1.581 2.151 0 CA-C-N 121.046 1.748 . . . . 0.0 114.58 -178.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -141.21 1.88 1.65 Allowed 'General case' 0 N--CA 1.499 2.018 0 C-N-CA 127.261 2.224 . . . . 0.0 111.046 -151.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.1 ptt85 -60.36 -19.54 56.01 Favored 'General case' 0 N--CA 1.494 1.734 1 O-C-N 115.414 -4.554 . . . . 0.0 114.432 -178.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.7 p -68.32 -29.39 68.13 Favored 'General case' 0 CA--C 1.493 -1.219 0 CA-C-O 114.371 -2.728 . . . . 0.0 112.245 175.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -118.25 -9.29 10.47 Favored 'General case' 0 C--O 1.268 2.034 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 162.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.331 5.1 t30 47.19 47.42 16.44 Favored 'General case' 0 C--N 1.296 -1.728 0 C-N-CA 126.646 1.978 . . . . 0.0 112.035 171.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -159.79 119.95 2.99 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 129.37 3.068 . . . . 0.0 110.744 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 30.8 p -146.41 175.3 10.65 Favored 'General case' 0 C--N 1.286 -2.158 0 C-N-CA 127.521 2.328 . . . . 0.0 110.976 171.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -143.47 153.9 43.11 Favored 'General case' 0 C--N 1.365 1.269 0 O-C-N 120.401 -1.437 . . . . 0.0 110.988 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -114.47 159.97 19.73 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 126.495 1.918 . . . . 0.0 113.469 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 76.3 p -78.14 140.54 39.02 Favored 'General case' 0 N--CA 1.533 3.707 0 CA-C-N 114.378 -1.283 . . . . 0.0 111.518 -174.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -69.93 -29.47 66.63 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 -175.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -137.16 -175.79 4.16 Favored 'General case' 0 C--O 1.283 2.816 0 C-N-CA 129.197 2.999 . . . . 0.0 104.977 -169.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 -91.84 162.51 14.4 Favored 'General case' 0 C--O 1.248 1.02 0 C-N-CA 127.771 2.428 . . . . 0.0 111.399 168.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.5 m -148.72 145.76 20.62 Favored Pre-proline 0 C--O 1.272 2.249 0 C-N-CA 126.945 2.098 . . . . 0.0 106.78 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.76 156.2 67.05 Favored 'Trans proline' 0 CA--C 1.586 3.079 0 O-C-N 116.332 -2.51 . . . . 0.0 113.821 169.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . 0.334 2.1 pp -152.53 -175.34 5.25 Favored 'General case' 0 C--O 1.274 2.36 0 O-C-N 125.768 1.918 . . . . 0.0 108.057 -171.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 102' ' ' PRO . 23.1 tp -151.9 108.43 3.46 Favored 'General case' 0 C--O 1.27 2.179 1 C-N-CA 134.343 5.057 . . . . 0.0 114.924 178.865 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.7 t60 -82.2 151.59 26.81 Favored 'General case' 0 C--N 1.362 1.141 0 C-N-CA 124.348 1.059 . . . . 0.0 111.021 167.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 90.8 m -138.73 144.17 39.39 Favored 'General case' 0 CA--C 1.486 -1.519 0 CA-C-O 117.541 -1.219 . . . . 0.0 112.864 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -140.93 121.35 14.04 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-O 115.4 -2.238 . . . . 0.0 111.634 -157.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 52.3 tp -65.35 92.74 0.13 Allowed 'General case' 0 CA--C 1.575 1.938 0 C-N-CA 127.448 2.299 . . . . 0.0 110.234 173.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 25.5 pt -66.34 19.11 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 N-CA-C 117.546 2.425 . . . . 0.0 117.546 172.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -146.32 103.25 4.04 Favored Pre-proline 0 C--N 1.394 2.518 0 O-C-N 119.874 -1.766 . . . . 0.0 112.234 172.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -71.01 -21.08 28.17 Favored 'Trans proline' 0 N--CA 1.445 -1.337 0 C-N-CA 121.991 1.794 . . . . 0.0 116.36 -175.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -85.45 -2.4 87.37 Favored Glycine 0 N--CA 1.48 1.62 0 CA-C-N 121.336 1.88 . . . . 0.0 116.585 171.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.8 131.36 35.88 Favored 'General case' 0 C--N 1.395 2.585 0 C-N-CA 115.877 -2.329 . . . . 0.0 113.036 173.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -121.5 -20.62 6.52 Favored 'General case' 0 C--N 1.361 1.093 0 CA-C-N 123.402 2.819 . . . . 0.0 115.888 172.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . 0.255 50.8 t30 -129.82 154.39 47.3 Favored 'General case' 0 N--CA 1.51 2.538 0 C-N-CA 117.098 -1.841 . . . . 0.0 111.754 -176.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 pp -65.5 -8.66 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 C-N-CA 127.029 2.132 . . . . 0.0 111.579 -159.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.8 m -73.55 -19.44 60.9 Favored 'General case' 1 N--CA 1.542 4.147 0 O-C-N 120.339 -1.476 . . . . 0.0 110.072 172.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -139.34 6.99 2.36 Favored 'General case' 0 C--O 1.263 1.771 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -171.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . 0.363 64.7 m -69.93 143.55 52.67 Favored 'General case' 0 C--N 1.365 1.265 0 C-N-CA 129.198 2.999 . . . . 0.0 113.032 173.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -155.64 139.37 16.11 Favored 'General case' 0 N--CA 1.499 1.993 1 C-N-CA 132.018 4.127 . . . . 0.0 113.443 -176.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -134.13 168.75 18.27 Favored 'General case' 0 C--O 1.28 2.685 0 O-C-N 118.868 -2.395 . . . . 0.0 113.279 -165.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -151.75 162.44 41.01 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-O 124.328 2.013 . . . . 0.0 110.603 177.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.461 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 1.2 m-20 -99.17 136.74 38.69 Favored 'General case' 0 C--O 1.246 0.919 0 C-N-CA 129.555 3.142 . . . . 0.0 107.725 -167.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -144.19 75.96 15.17 Favored Pre-proline 0 C--O 1.272 2.287 0 C-N-CA 128.508 2.723 . . . . 0.0 110.728 165.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 81' ' ' LEU . 72.3 Cg_exo -38.2 164.07 0.02 OUTLIER 'Trans proline' 0 N--CA 1.505 2.192 0 C-N-CA 123.234 2.623 . . . . 0.0 117.271 163.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -173.75 -163.83 27.91 Favored Glycine 0 C--O 1.267 2.201 0 C-N-CA 116.738 -2.649 . . . . 0.0 118.645 162.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.6 ttt-85 -153.08 120.69 5.98 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 118.863 -2.551 . . . . 0.0 108.987 168.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -151.7 164.75 36.28 Favored 'General case' 0 N--CA 1.495 1.789 1 C-N-CA 131.804 4.042 . . . . 0.0 111.9 -165.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -76.78 173.27 11.87 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 121.42 -0.8 . . . . 0.0 110.229 158.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -158.59 161.85 37.28 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 121.526 1.966 . . . . 0.0 113.899 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.8 t -138.51 118.56 15.13 Favored 'Isoleucine or valine' 0 C--N 1.392 2.422 0 CA-C-O 123.39 1.567 . . . . 0.0 109.904 -163.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.6 m -127.52 164.43 28.63 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.283 0 C-N-CA 128.438 2.695 . . . . 0.0 108.467 -157.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -124.16 151.55 43.88 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-O 124.036 1.874 . . . . 0.0 108.247 169.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 55.5 m -127.55 175.56 8.16 Favored 'General case' 0 C--O 1.275 2.435 0 C-N-CA 127.305 2.242 . . . . 0.0 112.097 178.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -155.17 154.58 32.5 Favored 'General case' 0 C--N 1.29 -1.992 0 CA-C-N 111.276 -2.693 . . . . 0.0 114.923 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -51.99 141.53 17.76 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 127.461 2.976 . . . . 0.0 115.404 165.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -44.62 153.64 0.16 Allowed 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 131.254 3.822 . . . . 0.0 114.41 -178.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -73.84 138.11 76.6 Favored Pre-proline 0 CA--C 1.561 1.393 0 O-C-N 117.175 -3.453 . . . . 0.0 105.243 171.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -66.67 0.2 3.83 Favored 'Trans proline' 0 CA--C 1.557 1.642 0 CA-C-O 114.282 -2.466 . . . . 0.0 114.15 175.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 31.2 mtm105 -138.17 -49.39 0.56 Allowed 'General case' 0 C--O 1.273 2.302 0 CA-C-N 123.683 2.947 . . . . 0.0 113.081 164.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -58.08 117.35 4.27 Favored 'General case' 0 N--CA 1.497 1.883 0 CA-C-N 120.168 1.349 . . . . 0.0 114.095 -175.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.3 m 65.44 70.81 0.55 Allowed Pre-proline 0 C--O 1.252 1.226 0 CA-C-O 121.972 0.891 . . . . 0.0 110.612 159.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -66.97 -28.28 42.09 Favored 'Trans proline' 0 N--CA 1.51 2.472 1 C-N-CA 126.867 5.045 . . . . 0.0 115.713 -170.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.402 ' HD2' ' CE1' ' A' ' 122' ' ' TYR . 37.0 ttm105 -41.88 -35.95 0.95 Allowed 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 -177.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.402 ' CE1' ' HD2' ' A' ' 121' ' ' ARG 0.255 6.4 m-85 -106.52 130.06 23.51 Favored Pre-proline 0 CA--C 1.578 2.021 0 O-C-N 119.899 -1.751 . . . . 0.0 111.001 -173.103 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -78.69 -17.82 12.27 Favored 'Trans proline' 0 CA--C 1.565 2.053 0 CA-C-O 124.373 1.739 . . . . 0.0 112.139 174.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 4.0 m -145.05 141.7 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 C-N-CA 130.421 3.489 . . . . 0.0 112.173 -177.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 26.8 m -141.96 144.37 32.0 Favored Pre-proline 0 N--CA 1.482 1.175 0 O-C-N 117.455 -3.278 . . . . 0.0 106.675 -164.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -78.36 146.84 22.41 Favored 'Trans proline' 0 CA--C 1.555 1.546 0 O-C-N 126.376 2.777 . . . . 0.0 106.978 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 27.3 m -129.39 -12.01 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.609 3.222 0 CA-C-O 116.228 -1.844 . . . . 0.0 113.138 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -156.06 154.91 31.74 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 116.67 -1.634 . . . . 0.0 114.675 -171.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 25.7 tp -138.55 106.39 5.66 Favored 'General case' 0 N--CA 1.521 3.086 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 173.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -79.44 -37.53 36.8 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 128.392 2.677 . . . . 0.0 111.256 -174.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 8.0 t -173.18 179.73 2.15 Favored 'General case' 0 N--CA 1.523 3.22 0 O-C-N 118.464 -2.647 . . . . 0.0 108.843 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 45.4 p -140.48 149.33 42.39 Favored 'General case' 0 N--CA 1.517 2.894 0 N-CA-C 103.688 -2.708 . . . . 0.0 103.688 177.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.278 0.1 OUTLIER . . . . . 0 N--CA 1.512 2.647 0 O-C-N 119.537 -1.977 . . . . 0.0 112.192 -168.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo . . . . . 0 C--O 1.256 1.395 0 CA-C-O 115.738 -1.859 . . . . 0.0 114.448 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -45.74 -32.56 9.03 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 CA-C-O 115.256 -2.06 . . . . 0.0 116.021 -175.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -148.77 21.65 1.01 Allowed 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 123.949 3.068 . . . . 0.0 115.813 -175.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -141.49 -177.14 5.01 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 128.191 2.596 . . . . 0.0 111.281 -171.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 49.2 p -92.49 164.57 13.41 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 127.786 2.434 . . . . 0.0 112.927 146.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -54.38 -50.52 67.32 Favored 'General case' 0 CA--C 1.463 -2.399 0 C-N-CA 126.047 1.739 . . . . 0.0 110.432 178.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . 0.253 . . -71.13 -33.47 70.12 Favored 'General case' 0 CA--C 1.487 -1.459 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -173.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -64.11 -55.61 20.73 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-O 124.536 2.112 . . . . 0.0 111.798 169.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -51.55 -42.88 62.15 Favored 'General case' 0 N--CA 1.405 -2.698 0 O-C-N 120.632 -1.293 . . . . 0.0 113.775 175.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.461 ' CE2' ' HB2' ' A' ' 126' ' ' PRO . 43.2 t80 -51.6 -57.0 10.38 Favored 'General case' 0 C--O 1.181 -2.521 0 O-C-N 118.832 -2.418 . . . . 0.0 108.718 168.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.82 -52.39 57.19 Favored 'General case' 0 C--O 1.182 -2.455 0 N-CA-C 119.885 3.291 . . . . 0.0 119.885 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.0 mt -58.33 -29.85 38.92 Favored 'Isoleucine or valine' 0 C--O 1.297 3.593 0 O-C-N 117.911 -2.993 . . . . 0.0 113.829 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -80.39 -19.29 46.62 Favored 'General case' 0 N--CA 1.511 2.579 0 C-N-CA 129.235 3.014 . . . . 0.0 114.867 173.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -153.75 -11.56 0.14 Allowed 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 118.471 2.767 . . . . 0.0 118.471 -158.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.6 mm -136.3 99.95 2.18 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.114 0 CA-C-O 122.79 1.281 . . . . 0.0 110.89 -173.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 m -151.52 102.34 2.88 Favored 'General case' 0 CA--C 1.566 1.577 0 C-N-CA 127.641 2.377 . . . . 0.0 108.0 -160.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.0 tp -54.14 -41.02 67.93 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 127.587 2.355 . . . . 0.0 114.764 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -147.85 70.27 11.22 Favored Pre-proline 0 C--N 1.387 2.226 0 O-C-N 125.736 1.898 . . . . 0.0 108.969 -171.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -69.98 152.24 68.12 Favored 'Trans proline' 0 C--O 1.257 1.457 0 C-N-CA 123.919 3.079 . . . . 0.0 114.108 174.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -68.09 -165.65 0.12 Allowed 'Trans proline' 0 CA--C 1.583 2.972 1 C-N-CA 125.937 4.425 . . . . 0.0 114.772 167.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.1 mtt-85 -53.6 153.24 4.46 Favored 'General case' 0 C--O 1.264 1.816 0 CA-C-O 123.77 1.748 . . . . 0.0 107.178 164.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 79.6 m -50.61 -39.39 50.06 Favored 'General case' 0 CA--C 1.58 2.098 0 O-C-N 118.804 -2.435 . . . . 0.0 113.206 163.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.5 p -45.42 -28.89 0.96 Allowed 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 119.859 3.281 . . . . 0.0 119.859 166.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.3 mm -100.67 -46.09 11.65 Favored 'Isoleucine or valine' 0 C--O 1.273 2.323 0 O-C-N 125.05 1.468 . . . . 0.0 108.351 170.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.77 -42.47 97.54 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 119.649 -1.907 . . . . 0.0 109.413 -167.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 81.7 mmm -53.75 -36.08 61.95 Favored 'General case' 0 CA--C 1.588 2.418 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 170.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -51.6 -32.83 30.29 Favored 'General case' 0 N--CA 1.522 3.153 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 -174.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.6 -28.23 0.57 Allowed 'General case' 0 CA--C 1.593 2.622 0 C-N-CA 130.172 3.389 . . . . 0.0 116.116 178.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.6 pt -132.87 -36.32 0.5 Allowed 'Isoleucine or valine' 0 C--O 1.198 -1.649 1 CA-C-O 111.21 -4.233 . . . . 0.0 105.337 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.416 ' CG ' ' H ' ' A' ' 38' ' ' LYS . 16.1 m-20 -88.36 -10.91 47.81 Favored 'General case' 0 N--CA 1.531 3.604 1 CA-C-N 127.173 4.533 . . . . 0.0 111.674 -163.178 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -116.72 17.85 15.08 Favored 'General case' 0 C--O 1.184 -2.384 0 C-N-CA 127.919 2.488 . . . . 0.0 106.048 177.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -141.02 -3.9 1.21 Allowed 'General case' 0 C--N 1.386 2.189 0 O-C-N 116.514 -3.866 . . . . 0.0 111.859 176.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -112.9 150.93 31.09 Favored 'General case' 0 C--N 1.305 -1.364 1 O-C-N 116.269 -4.019 . . . . 0.0 107.178 166.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -44.41 -32.33 1.32 Allowed 'General case' 0 CA--C 1.561 1.402 0 N-CA-C 121.101 3.741 . . . . 0.0 121.101 -177.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -143.94 151.16 39.41 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 127.443 2.297 . . . . 0.0 108.266 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 85.7 m -64.74 134.96 55.28 Favored 'General case' 0 CA--C 1.571 1.754 0 C-N-CA 128.475 2.71 . . . . 0.0 111.633 -176.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.416 ' H ' ' CG ' ' A' ' 31' ' ' ASN . 18.7 tttt -68.47 129.09 38.9 Favored 'General case' 0 N--CA 1.521 3.109 0 CA-C-O 124.282 1.992 . . . . 0.0 109.842 165.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -55.27 -35.72 65.33 Favored 'General case' 0 N--CA 1.439 -0.995 2 O-C-N 114.746 -4.972 . . . . 0.0 116.353 176.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -151.69 149.1 28.72 Favored 'General case' 0 C--N 1.427 3.969 0 O-C-N 119.83 -1.794 . . . . 0.0 107.871 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -151.13 154.72 37.47 Favored 'General case' 0 CA--C 1.589 2.467 0 C-N-CA 126.454 1.901 . . . . 0.0 115.112 171.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 79.9 m -129.24 132.73 47.28 Favored 'General case' 0 C--O 1.262 1.727 0 CA-C-O 114.615 -2.612 . . . . 0.0 112.842 -172.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -124.49 116.52 22.64 Favored 'General case' 0 C--O 1.2 -1.537 0 C-N-CA 130.506 3.523 . . . . 0.0 109.773 -176.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.0 mt -87.28 124.54 33.45 Favored 'General case' 0 C--N 1.378 1.813 0 O-C-N 119.781 -1.824 . . . . 0.0 109.241 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -82.04 77.3 8.87 Favored 'General case' 0 N--CA 1.472 0.663 1 O-C-N 129.257 4.098 . . . . 0.0 115.394 175.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.5 t -144.33 173.33 11.87 Favored 'General case' 0 C--N 1.373 1.592 0 N-CA-C 104.839 -2.282 . . . . 0.0 104.839 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.5 p -75.16 157.34 34.78 Favored 'General case' 0 N--CA 1.523 3.209 0 CA-C-N 114.305 -1.316 . . . . 0.0 110.976 164.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -68.01 -37.5 81.49 Favored 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 172.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.69 -19.56 65.02 Favored 'General case' 0 N--CA 1.535 3.793 0 C-N-CA 126.143 1.777 . . . . 0.0 113.332 178.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -91.53 -22.77 20.19 Favored 'General case' 0 N--CA 1.408 -2.549 0 N-CA-C 116.162 1.912 . . . . 0.0 116.162 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 t -73.62 -27.7 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-N 114.532 -1.213 . . . . 0.0 111.036 163.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.3 t -60.17 -44.72 95.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 CA-C-O 124.964 2.316 . . . . 0.0 106.014 168.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -59.86 -22.62 62.56 Favored 'General case' 0 N--CA 1.508 2.441 1 O-C-N 114.573 -5.079 . . . . 0.0 114.703 172.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.0 t -74.56 -39.4 47.31 Favored 'Isoleucine or valine' 0 CA--C 1.616 3.514 0 CA-C-N 119.469 1.031 . . . . 0.0 108.479 168.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 88.6 m -63.76 -18.84 64.47 Favored 'General case' 0 CA--C 1.564 1.489 0 C-N-CA 128.048 2.539 . . . . 0.0 113.113 172.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -83.44 -9.05 84.13 Favored Glycine 2 C--O 1.166 -4.121 0 C-N-CA 130.244 3.783 . . . . 0.0 117.346 170.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -89.11 175.01 7.56 Favored 'General case' 0 CA--C 1.555 1.172 0 O-C-N 117.449 -3.383 . . . . 0.0 110.604 -176.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -54.74 138.01 43.12 Favored 'General case' 0 N--CA 1.522 3.149 0 O-C-N 118.773 -2.454 . . . . 0.0 109.876 -172.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.7 m -62.27 124.09 19.96 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 130.124 3.37 . . . . 0.0 111.952 173.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.5 pt -120.79 177.51 3.19 Favored 'Isoleucine or valine' 0 C--O 1.265 1.902 0 C-N-CA 124.09 0.956 . . . . 0.0 111.396 169.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -117.57 146.86 43.32 Favored 'General case' 0 N--CA 1.515 2.786 0 C-N-CA 127.304 2.242 . . . . 0.0 110.764 168.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 75.9 m -148.05 154.94 43.65 Favored Pre-proline 0 C--N 1.304 -1.371 1 C-N-CA 134.457 5.103 . . . . 0.0 118.529 -159.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -89.6 2.42 5.53 Favored 'Trans proline' 0 C--N 1.376 2.017 0 N-CA-C 115.87 1.45 . . . . 0.0 115.87 -164.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -128.67 37.45 4.1 Favored 'General case' 0 CA--C 1.601 2.936 0 C-N-CA 125.156 1.382 . . . . 0.0 111.833 -174.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -146.4 10.18 1.1 Allowed 'General case' 0 CA--C 1.589 2.448 0 O-C-N 119.238 -2.164 . . . . 0.0 112.226 -145.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . 0.255 28.5 ptt-85 -57.04 -30.79 64.53 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.716 1.607 . . . . 0.0 114.282 -163.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.2 p -62.21 -20.94 64.71 Favored 'General case' 0 N--CA 1.5 2.052 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 -178.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -141.83 -7.78 0.95 Allowed 'General case' 0 C--O 1.265 1.918 0 CA-C-O 116.942 -1.504 . . . . 0.0 114.623 174.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 65.7 t30 48.89 40.17 15.98 Favored 'General case' 0 C--O 1.209 -1.066 0 N-CA-C 118.481 2.771 . . . . 0.0 118.481 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -141.9 147.99 37.98 Favored 'General case' 0 C--O 1.255 1.371 0 C-N-CA 125.248 1.419 . . . . 0.0 114.01 169.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.2 p -162.91 166.66 23.68 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 126.125 1.77 . . . . 0.0 114.851 -177.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -136.69 154.63 50.56 Favored 'General case' 0 C--N 1.308 -1.201 0 O-C-N 121.236 -0.915 . . . . 0.0 110.966 178.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -116.72 157.37 25.58 Favored 'General case' 0 CA--C 1.573 1.859 0 C-N-CA 123.87 0.868 . . . . 0.0 113.279 176.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.5 p -70.78 145.17 50.57 Favored 'General case' 0 CA--C 1.481 -1.679 0 CA-C-O 127.168 3.366 . . . . 0.0 110.875 -170.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 76.4 mtt-85 -70.22 -16.48 63.06 Favored 'General case' 0 C--N 1.391 2.382 0 CA-C-N 110.74 -2.936 . . . . 0.0 115.841 -175.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -164.82 173.27 11.92 Favored 'General case' 0 CA--C 1.588 2.406 0 C-N-CA 130.705 3.602 . . . . 0.0 112.081 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -74.97 151.73 38.82 Favored 'General case' 0 C--N 1.37 1.487 0 O-C-N 119.189 -2.194 . . . . 0.0 112.444 175.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.4 m -131.24 148.9 72.02 Favored Pre-proline 0 C--O 1.206 -1.205 0 CA-C-O 115.505 -2.188 . . . . 0.0 109.563 175.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -51.47 154.03 9.41 Favored 'Trans proline' 0 CA--C 1.596 3.597 0 O-C-N 124.94 2.021 . . . . 0.0 114.958 155.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 pp -168.93 165.33 11.54 Favored 'General case' 0 C--O 1.192 -1.942 0 CA-C-O 125.116 2.389 . . . . 0.0 106.557 -173.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.7 tp -127.59 141.59 51.59 Favored 'General case' 0 N--CA 1.427 -1.623 0 O-C-N 117.933 -2.979 . . . . 0.0 109.812 172.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . 0.257 35.3 t60 -119.04 152.18 36.89 Favored 'General case' 0 C--O 1.204 -1.327 0 N-CA-C 103.347 -2.835 . . . . 0.0 103.347 174.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 99.3 m -141.56 131.41 24.37 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -171.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . 0.362 58.8 t0 -127.59 143.3 51.18 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 116.429 -1.748 . . . . 0.0 113.39 -160.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.6 tp -84.37 77.76 9.93 Favored 'General case' 0 CA--C 1.479 -1.761 0 N-CA-C 118.311 2.708 . . . . 0.0 118.311 172.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.4 pp -64.96 -0.26 0.71 Allowed 'Isoleucine or valine' 1 N--CA 1.547 4.413 0 CA-C-N 110.853 -2.885 . . . . 0.0 117.764 -177.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -126.12 82.91 64.43 Favored Pre-proline 0 C--O 1.268 2.034 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 162.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_exo -51.19 -16.47 2.94 Favored 'Trans proline' 0 C--N 1.37 1.692 1 C-N-CA 126.503 4.802 . . . . 0.0 118.247 172.306 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -71.32 -0.36 37.0 Favored Glycine 0 N--CA 1.482 1.761 0 CA-C-O 115.353 -2.915 . . . . 0.0 119.878 175.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -129.01 159.72 35.02 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-N 122.374 3.087 . . . . 0.0 112.093 -173.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -140.82 -9.27 1.04 Allowed 'General case' 0 C--O 1.256 1.437 0 CA-C-N 112.661 -2.063 . . . . 0.0 114.328 160.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -94.86 137.44 33.92 Favored 'General case' 0 CA--C 1.598 2.824 1 O-C-N 113.448 -5.782 . . . . 0.0 111.223 177.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.1 pt -51.66 -22.85 2.72 Favored 'Isoleucine or valine' 0 C--N 1.367 1.364 0 CA-C-O 115.905 -1.998 . . . . 0.0 116.059 -169.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.0 m -54.34 -22.97 13.56 Favored 'General case' 1 C--O 1.305 4.021 0 N-CA-C 118.758 2.873 . . . . 0.0 118.758 168.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -145.75 -5.67 0.62 Allowed 'General case' 0 C--N 1.254 -3.557 0 CA-C-N 114.285 -1.325 . . . . 0.0 112.822 -170.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.2 m -61.21 135.17 57.65 Favored 'General case' 0 CA--C 1.597 2.752 0 O-C-N 120.058 -1.651 . . . . 0.0 111.291 164.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 55.2 mtt-85 -153.51 152.62 31.16 Favored 'General case' 0 C--O 1.185 -2.329 0 CA-C-O 126.779 3.18 . . . . 0.0 111.289 174.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -135.55 166.96 22.0 Favored 'General case' 0 CA--C 1.574 1.892 0 CA-C-O 128.174 3.845 . . . . 0.0 115.578 -150.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -152.66 163.65 39.23 Favored 'General case' 0 C--O 1.28 2.678 0 CA-C-N 112.487 -2.142 . . . . 0.0 113.162 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -100.87 147.86 25.62 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 117.459 -3.276 . . . . 0.0 113.294 -166.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . 0.255 0.9 OUTLIER -147.21 64.48 8.85 Favored Pre-proline 0 N--CA 1.51 2.545 0 O-C-N 118.08 -2.888 . . . . 0.0 112.997 176.632 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . 0.333 44.9 Cg_endo -62.35 174.73 2.48 Favored 'Trans proline' 0 CA--C 1.489 -1.755 0 C-N-CA 124.855 3.703 . . . . 0.0 120.476 170.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 160.98 -178.16 37.06 Favored Glycine 1 CA--C 1.59 4.779 0 CA-C-O 118.315 -1.269 . . . . 0.0 113.172 -167.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 66.2 ttt-85 -149.74 119.97 7.29 Favored 'General case' 0 N--CA 1.415 -2.201 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 178.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 84.1 mtm-85 -159.34 172.59 17.7 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-O 116.815 -1.564 . . . . 0.0 111.21 -170.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -67.6 179.56 1.32 Allowed 'General case' 0 CA--C 1.59 2.519 0 N-CA-C 105.288 -2.115 . . . . 0.0 105.288 175.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -152.15 163.48 39.28 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-O 125.718 2.675 . . . . 0.0 113.606 171.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.0 t -128.15 139.36 52.12 Favored 'Isoleucine or valine' 0 C--O 1.278 2.596 0 CA-C-N 113.305 -1.77 . . . . 0.0 113.682 -177.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 17.4 m -142.7 168.21 13.92 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.929 0 C-N-CA 126.912 2.085 . . . . 0.0 116.097 -178.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -133.65 156.02 48.64 Favored 'General case' 0 CA--C 1.599 2.863 0 N-CA-C 104.228 -2.508 . . . . 0.0 104.228 165.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.0 m -141.25 179.37 6.8 Favored 'General case' 0 C--O 1.282 2.768 0 C-N-CA 130.424 3.49 . . . . 0.0 115.316 -164.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -165.41 165.54 19.17 Favored 'General case' 0 N--CA 1.431 -1.395 0 CA-C-N 113.243 -1.799 . . . . 0.0 111.662 -171.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -55.79 145.92 23.01 Favored 'General case' 0 N--CA 1.519 2.978 0 N-CA-C 116.507 2.039 . . . . 0.0 116.507 168.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . 0.317 3.7 ptt180 -52.68 152.43 3.75 Favored 'General case' 0 C--O 1.284 2.873 0 C-N-CA 126.123 1.769 . . . . 0.0 112.614 -174.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -73.63 159.68 83.96 Favored Pre-proline 0 C--O 1.209 -1.071 0 CA-C-N 121.914 2.143 . . . . 0.0 114.263 172.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -72.57 -5.15 16.62 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 N-CA-C 117.631 2.127 . . . . 0.0 117.631 -171.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -143.66 -44.12 0.28 Allowed 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 118.97 2.952 . . . . 0.0 118.97 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -61.57 141.66 57.61 Favored 'General case' 0 N--CA 1.5 2.059 0 C-N-CA 125.95 1.7 . . . . 0.0 109.773 174.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 70.5 m 27.63 73.09 0.4 Allowed Pre-proline 0 C--O 1.255 1.379 0 C-N-CA 130.678 3.591 . . . . 0.0 116.939 170.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -75.21 11.19 1.56 Allowed 'Trans proline' 0 CA--C 1.51 -0.688 0 C-N-CA 122.709 2.273 . . . . 0.0 113.971 -174.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.416 ' HE ' ' HB2' ' A' ' 121' ' ' ARG . 24.6 ttm180 -62.08 -11.07 12.03 Favored 'General case' 0 N--CA 1.519 3.009 1 C-N-CA 135.796 5.638 . . . . 0.0 113.915 173.316 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.403 ' CE1' ' HG2' ' A' ' 121' ' ' ARG . 36.6 m-85 -144.66 138.48 14.55 Favored Pre-proline 0 C--O 1.273 2.294 0 O-C-N 118.752 -2.468 . . . . 0.0 115.458 -172.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -69.54 -19.71 36.8 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 CA-C-O 113.61 -2.746 . . . . 0.0 113.305 167.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 15.1 m -145.02 155.05 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 CA-C-N 122.265 2.302 . . . . 0.0 110.732 -176.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 27.5 m -140.33 139.3 20.45 Favored Pre-proline 0 CA--C 1.602 2.959 0 C-N-CA 126.844 2.058 . . . . 0.0 112.303 -177.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.461 ' HB2' ' CE2' ' A' ' 11' ' ' PHE . 84.1 Cg_endo -67.94 135.61 35.66 Favored 'Trans proline' 0 C--N 1.287 -2.707 1 C-N-CA 126.036 4.491 . . . . 0.0 111.544 172.095 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 34.6 m -125.22 -10.59 5.71 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.188 0 O-C-N 117.756 -3.09 . . . . 0.0 113.367 177.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -157.6 143.48 17.45 Favored 'General case' 0 C--O 1.261 1.679 0 C-N-CA 117.233 -1.787 . . . . 0.0 111.74 -177.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 13.1 tp -74.94 173.87 10.06 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 116.503 -1.713 . . . . 0.0 113.531 169.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -139.03 -42.54 0.47 Allowed 'General case' 0 C--O 1.271 2.201 0 CA-C-O 125.859 2.742 . . . . 0.0 114.747 144.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.5 t -168.05 154.01 7.27 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 113.178 -1.828 . . . . 0.0 114.448 -162.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 65.5 p -132.83 126.07 31.46 Favored 'General case' 0 N--CA 1.501 2.115 1 C-N-CA 132.888 4.475 . . . . 0.0 110.669 173.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.561 1.366 0 O-C-N 117.199 -3.438 . . . . 0.0 114.981 -154.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . 0.269 10.9 Cg_endo . . . . . 0 CA--C 1.554 1.504 0 N-CA-C 117.456 2.06 . . . . 0.0 117.456 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -45.08 -35.89 11.04 Favored 'Trans proline' 0 N--CA 1.513 2.662 1 C-N-CA 126.568 4.846 . . . . 0.0 118.022 -175.107 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -148.1 3.87 0.71 Allowed 'General case' 0 CA--C 1.6 2.874 0 O-C-N 120.717 -1.239 . . . . 0.0 113.585 -167.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.368 31.3 m-85 -142.5 147.88 36.74 Favored 'General case' 0 CA--C 1.577 1.985 0 O-C-N 118.765 -2.459 . . . . 0.0 104.839 -162.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.8 p -63.4 163.84 10.11 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 125.044 2.354 . . . . 0.0 108.847 159.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -60.94 -47.91 84.24 Favored 'General case' 0 C--N 1.403 2.924 0 CA-C-N 112.339 -2.21 . . . . 0.0 113.427 175.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.73 -31.76 69.92 Favored 'General case' 0 CA--C 1.589 2.475 1 C-N-CA 133.549 4.74 . . . . 0.0 110.311 175.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . 0.262 46.8 mt-30 -81.46 -32.53 32.5 Favored 'General case' 0 C--O 1.263 1.814 0 C-N-CA 126.459 1.904 . . . . 0.0 113.592 171.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -79.07 -30.6 44.04 Favored 'General case' 0 C--O 1.267 2.01 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -59.45 -34.05 72.04 Favored 'General case' 0 C--O 1.244 0.787 0 N-CA-C 115.808 1.781 . . . . 0.0 115.808 157.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . 0.317 . . -71.77 -52.45 17.55 Favored 'General case' 0 CA--C 1.596 2.735 0 CA-C-O 117.633 -1.175 . . . . 0.0 113.178 176.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.6 mt -47.69 -41.78 8.57 Favored 'Isoleucine or valine' 0 C--N 1.374 1.654 0 C-N-CA 124.343 1.057 . . . . 0.0 112.266 170.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -82.42 -14.45 55.14 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 120.608 3.559 . . . . 0.0 120.608 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.274 79.7 m-70 -142.6 -10.22 0.82 Allowed 'General case' 0 CA--C 1.578 2.044 0 CA-C-O 114.112 -2.851 . . . . 0.0 116.164 -166.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.4 mm -128.34 113.77 31.4 Favored 'Isoleucine or valine' 0 C--N 1.368 1.371 0 N-CA-C 118.299 2.703 . . . . 0.0 118.299 -168.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 64.8 m -159.87 108.84 1.77 Allowed 'General case' 0 CA--C 1.583 2.243 0 C-N-CA 127.804 2.441 . . . . 0.0 106.066 -176.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.9 tp -67.6 -13.97 62.53 Favored 'General case' 0 C--O 1.269 2.13 0 CA-C-O 113.605 -3.093 . . . . 0.0 112.958 -177.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -158.17 69.22 3.85 Favored Pre-proline 0 CA--C 1.628 3.949 0 N-CA-C 105.109 -2.182 . . . . 0.0 105.109 -177.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -70.28 169.14 20.28 Favored 'Trans proline' 0 CA--C 1.579 2.758 0 CA-C-N 120.943 1.372 . . . . 0.0 114.062 -161.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -72.34 176.39 8.7 Favored 'Trans proline' 0 C--O 1.261 1.633 0 C-N-CA 124.782 3.655 . . . . 0.0 111.152 166.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -64.14 140.77 58.9 Favored 'General case' 0 CA--C 1.581 2.16 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 172.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 12.6 m -45.1 -35.85 3.32 Favored 'General case' 0 C--O 1.255 1.345 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.2 p -58.97 1.07 0.07 Allowed 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 129.078 2.951 . . . . 0.0 115.66 175.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.7 mm -136.94 -29.23 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.466 -2.279 0 C-N-CA 127.586 2.354 . . . . 0.0 111.114 -177.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.11 -43.04 59.04 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 121.177 1.808 . . . . 0.0 111.558 176.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 39.9 mmm -50.3 -35.89 29.39 Favored 'General case' 0 C--O 1.205 -1.266 0 O-C-N 119.506 -1.996 . . . . 0.0 114.589 167.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -61.97 -22.8 65.95 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 124.705 2.193 . . . . 0.0 115.335 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.5 -24.08 12.17 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-N 111.428 -2.623 . . . . 0.0 118.039 170.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.83 -46.49 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.582 0 CA-C-O 117.234 -1.365 . . . . 0.0 111.234 165.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -80.29 -2.07 43.6 Favored 'General case' 0 CA--C 1.598 2.814 0 CA-C-N 121.214 1.824 . . . . 0.0 115.9 -167.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -95.97 11.21 34.77 Favored 'General case' 0 N--CA 1.521 3.078 0 O-C-N 120.944 -1.097 . . . . 0.0 109.3 165.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -131.39 -34.74 1.37 Allowed 'General case' 0 C--N 1.293 -1.872 0 C-N-CA 130.691 3.596 . . . . 0.0 117.316 -177.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -83.87 168.76 15.79 Favored 'General case' 0 N--CA 1.532 3.655 0 CA-C-N 122.116 2.235 . . . . 0.0 108.754 165.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -14.25 61.88 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 122.91 1.338 . . . . 0.0 112.676 -173.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -153.54 157.24 39.46 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.205 -173.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 85.9 m -69.93 120.11 15.16 Favored 'General case' 0 C--N 1.362 1.151 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.7 tttt -57.56 122.57 13.03 Favored 'General case' 0 CA--C 1.57 1.744 0 C-N-CA 127.264 2.226 . . . . 0.0 113.691 157.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -59.06 -47.21 86.05 Favored 'General case' 0 C--O 1.272 2.255 0 C-N-CA 128.313 2.645 . . . . 0.0 108.519 -170.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -145.11 151.07 37.91 Favored 'General case' 0 C--O 1.194 -1.842 0 C-N-CA 125.66 1.584 . . . . 0.0 108.569 -171.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -154.65 161.11 41.71 Favored 'General case' 0 N--CA 1.415 -2.201 0 C-N-CA 127.574 2.349 . . . . 0.0 108.35 170.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.5 m -131.29 134.39 46.33 Favored 'General case' 0 CA--C 1.478 -1.805 0 C-N-CA 128.118 2.567 . . . . 0.0 111.27 175.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -110.99 111.17 22.09 Favored 'General case' 0 N--CA 1.415 -2.19 1 C-N-CA 133.277 4.631 . . . . 0.0 113.363 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 75.0 mt -72.35 128.45 35.67 Favored 'General case' 0 C--N 1.374 1.643 0 N-CA-C 116.911 2.189 . . . . 0.0 116.911 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -80.59 76.62 7.45 Favored 'General case' 0 N--CA 1.505 2.312 0 CA-C-N 119.679 1.127 . . . . 0.0 111.451 171.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.271 1.2 t -158.05 175.03 14.32 Favored 'General case' 0 C--O 1.255 1.35 0 CA-C-O 125.565 2.602 . . . . 0.0 107.661 -174.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.3 p -115.93 148.96 39.48 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 111.371 -2.65 . . . . 0.0 116.401 -179.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -56.96 -38.97 73.7 Favored 'General case' 0 N--CA 1.5 2.033 0 C-N-CA 127.762 2.425 . . . . 0.0 114.604 -173.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.27 -20.45 63.92 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.86 -0.525 . . . . 0.0 111.615 177.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -72.93 -44.94 60.6 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 126.807 3.194 . . . . 0.0 114.577 175.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.5 t -67.25 -29.01 44.43 Favored 'Isoleucine or valine' 0 C--O 1.267 2.003 0 C-N-CA 127.422 2.289 . . . . 0.0 116.027 174.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 97.7 t -64.89 -30.6 50.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 120.0 1.273 . . . . 0.0 113.823 168.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -68.81 -16.14 63.7 Favored 'General case' 0 CA--C 1.584 2.265 0 O-C-N 119.757 -1.84 . . . . 0.0 114.058 166.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.4 t -79.83 -39.41 19.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 CA-C-N 122.049 2.204 . . . . 0.0 110.224 165.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 58.5 m -57.2 -22.54 41.49 Favored 'General case' 0 N--CA 1.517 2.923 0 N-CA-C 117.775 2.509 . . . . 0.0 117.775 169.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.04 -8.22 45.27 Favored Glycine 0 CA--C 1.546 1.99 1 C-N-CA 131.986 4.612 . . . . 0.0 113.082 176.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -52.35 151.69 3.88 Favored 'General case' 0 N--CA 1.503 2.213 0 CA-C-N 118.597 1.198 . . . . 0.0 112.275 152.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -38.18 148.82 0.04 OUTLIER 'General case' 0 C--N 1.375 1.687 0 CA-C-O 123.614 1.673 . . . . 0.0 114.513 172.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.2 m -79.37 131.96 36.27 Favored 'General case' 0 N--CA 1.499 1.986 0 CA-C-O 125.729 2.68 . . . . 0.0 110.262 171.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 13.6 pt -131.07 -172.06 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 C-N-CA 127.509 2.324 . . . . 0.0 105.523 173.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -142.24 146.11 34.8 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 130.131 3.372 . . . . 0.0 115.452 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 65.9 m -131.06 157.9 76.75 Favored Pre-proline 1 CA--C 1.632 4.099 0 CA-C-O 116.64 -1.648 . . . . 0.0 112.668 -158.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -59.66 -19.02 51.11 Favored 'Trans proline' 0 C--N 1.325 -0.685 1 N-CA-C 124.261 4.677 . . . . 0.0 124.261 172.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -131.79 58.36 1.74 Allowed 'General case' 0 CA--C 1.578 2.026 0 O-C-N 120.268 -1.52 . . . . 0.0 110.654 -168.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -151.46 -0.87 0.34 Allowed 'General case' 0 C--O 1.198 -1.625 0 N-CA-C 119.09 2.996 . . . . 0.0 119.09 -153.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.4 ptt-85 -48.31 -20.78 0.43 Allowed 'General case' 0 CA--C 1.541 0.63 1 C-N-CA 132.118 4.167 . . . . 0.0 115.059 -176.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.6 p -60.64 -25.23 66.15 Favored 'General case' 0 CA--C 1.581 2.135 0 CA-C-N 121.916 2.144 . . . . 0.0 112.872 167.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.302 2.4 pt? -141.32 -16.16 0.84 Allowed 'General case' 0 CA--C 1.589 2.459 0 O-C-N 118.445 -2.659 . . . . 0.0 116.225 -176.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.4 t30 51.49 33.18 9.9 Favored 'General case' 0 CA--C 1.613 3.401 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -168.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -146.54 140.72 26.35 Favored 'General case' 0 C--O 1.299 3.668 0 C-N-CA 123.723 0.809 . . . . 0.0 112.031 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.5 p -142.34 -178.68 5.86 Favored 'General case' 0 CA--C 1.564 1.509 0 CA-C-O 122.8 1.286 . . . . 0.0 111.557 172.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -147.41 147.0 29.79 Favored 'General case' 0 CA--C 1.563 1.467 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 171.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -121.62 155.53 34.9 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 124.363 1.04 . . . . 0.0 113.05 178.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.1 p -71.47 167.47 19.56 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 125.253 2.454 . . . . 0.0 109.12 -167.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 78.4 mtt-85 -92.01 -27.28 17.92 Favored 'General case' 0 N--CA 1.505 2.29 0 CA-C-O 123.78 1.752 . . . . 0.0 111.179 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -143.73 172.98 12.08 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-O 117.632 -1.175 . . . . 0.0 112.341 -176.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . 0.312 42.7 mtm180 -89.35 155.69 19.19 Favored 'General case' 0 N--CA 1.422 -1.826 0 O-C-N 125.01 1.444 . . . . 0.0 107.534 171.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.0 m -141.34 153.11 65.73 Favored Pre-proline 0 CA--C 1.577 2.011 0 C-N-CA 125.925 1.69 . . . . 0.0 107.445 174.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -54.45 146.52 51.84 Favored 'Trans proline' 0 C--N 1.378 2.103 0 C-N-CA 122.419 2.079 . . . . 0.0 112.12 165.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.0 pp -149.55 160.89 43.11 Favored 'General case' 0 N--CA 1.435 -1.187 0 O-C-N 125.247 1.592 . . . . 0.0 114.385 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.2 tp -129.12 106.91 9.17 Favored 'General case' 0 CA--C 1.559 1.304 0 CA-C-O 125.366 2.508 . . . . 0.0 107.299 176.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -76.57 145.07 39.24 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 127.299 2.239 . . . . 0.0 111.26 169.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 48.5 m -136.35 146.64 46.76 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 120.093 1.315 . . . . 0.0 108.221 -169.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -147.94 114.98 6.15 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 125.223 1.577 . . . . 0.0 109.882 -152.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 38.0 tp -60.72 94.07 0.03 OUTLIER 'General case' 0 C--N 1.39 2.362 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 170.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.3 pt -61.67 -10.02 3.68 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.428 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 174.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.284 52.2 t30 -112.14 59.89 0.55 Allowed Pre-proline 0 C--N 1.292 -1.917 0 C-N-CA 126.069 1.748 . . . . 0.0 113.717 174.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -57.54 -16.13 22.74 Favored 'Trans proline' 0 N--CA 1.498 1.774 0 CA-C-N 123.727 2.367 . . . . 0.0 113.678 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -44.31 -16.15 0.05 OUTLIER Glycine 0 C--N 1.361 1.955 0 O-C-N 117.976 -2.953 . . . . 0.0 117.608 168.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -142.78 173.49 11.49 Favored 'General case' 1 CA--C 1.631 4.089 0 O-C-N 125.393 1.29 . . . . 0.0 113.84 -162.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -156.44 -19.65 0.1 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 125.238 1.415 . . . . 0.0 114.484 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -60.35 128.78 38.4 Favored 'General case' 0 CA--C 1.599 2.832 0 CA-C-N 120.675 1.579 . . . . 0.0 115.044 155.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 15.6 pt -44.26 -36.01 1.17 Allowed 'Isoleucine or valine' 0 C--O 1.273 2.338 0 CA-C-O 114.438 -2.696 . . . . 0.0 113.747 161.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.5 m -65.13 -5.5 6.82 Favored 'General case' 0 N--CA 1.507 2.425 0 O-C-N 127.626 3.079 . . . . 0.0 115.286 174.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -140.75 -7.71 1.09 Allowed 'General case' 0 CA--C 1.588 2.408 0 N-CA-C 119.056 2.984 . . . . 0.0 119.056 172.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 74.1 m -64.35 144.8 56.9 Favored 'General case' 0 C--O 1.259 1.555 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 169.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -143.8 152.53 41.33 Favored 'General case' 0 C--N 1.387 2.239 0 N-CA-C 105.951 -1.87 . . . . 0.0 105.951 177.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -134.41 168.4 19.0 Favored 'General case' 0 N--CA 1.513 2.701 0 CA-C-N 120.047 1.294 . . . . 0.0 113.404 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -147.56 149.7 33.08 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 127.332 2.253 . . . . 0.0 111.722 -176.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -76.39 143.73 40.48 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 125.477 1.511 . . . . 0.0 112.792 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -145.28 92.0 5.72 Favored Pre-proline 0 N--CA 1.509 2.521 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 178.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -70.26 170.86 16.16 Favored 'Trans proline' 0 C--O 1.264 1.788 1 C-N-CA 126.623 4.882 . . . . 0.0 110.946 176.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 178.53 176.59 46.55 Favored Glycine 0 CA--C 1.477 -2.287 0 C-N-CA 128.948 3.166 . . . . 0.0 108.34 172.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -144.15 97.44 3.05 Favored 'General case' 0 CA--C 1.563 1.46 0 CA-C-O 115.384 -2.246 . . . . 0.0 113.766 171.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 91.7 mtm-85 -134.13 160.28 38.28 Favored 'General case' 0 N--CA 1.511 2.623 0 C-N-CA 129.814 3.246 . . . . 0.0 112.178 -163.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . 0.291 29.4 m-85 -72.23 158.39 35.94 Favored 'General case' 0 CA--C 1.585 2.319 0 N-CA-C 106.703 -1.592 . . . . 0.0 106.703 164.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -141.77 166.12 25.61 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 113.031 -1.895 . . . . 0.0 112.919 -176.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.3 t -141.18 138.06 33.62 Favored 'Isoleucine or valine' 0 C--O 1.255 1.368 0 CA-C-N 114.503 -1.226 . . . . 0.0 113.238 -169.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.2 m -141.04 160.16 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.493 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -169.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -101.99 148.47 25.32 Favored 'General case' 0 C--O 1.269 2.09 0 C-N-CA 116.889 -1.924 . . . . 0.0 109.969 160.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 85.6 m -126.33 168.43 14.16 Favored 'General case' 0 N--CA 1.399 -3.013 0 O-C-N 118.746 -2.471 . . . . 0.0 104.674 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -144.45 169.22 18.36 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 113.843 -1.526 . . . . 0.0 112.738 -176.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . 0.281 31.4 t30 -65.64 147.42 53.42 Favored 'General case' 0 CA--C 1.552 1.057 0 O-C-N 117.738 -3.101 . . . . 0.0 112.454 167.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.98 136.01 2.23 Favored 'General case' 0 CA--C 1.578 2.02 0 C-N-CA 131.246 3.819 . . . . 0.0 115.917 165.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -50.25 146.42 8.69 Favored Pre-proline 0 N--CA 1.496 1.866 0 C-N-CA 127.563 2.345 . . . . 0.0 108.166 169.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -49.81 -28.28 17.56 Favored 'Trans proline' 0 N--CA 1.439 -1.714 0 C-N-CA 124.533 3.488 . . . . 0.0 116.304 175.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 69.7 mtt85 -130.5 -36.77 1.43 Allowed 'General case' 0 CA--C 1.571 1.76 0 CA-C-N 120.554 1.524 . . . . 0.0 112.965 -164.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -94.47 141.23 28.83 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 124.607 1.192 . . . . 0.0 108.61 -171.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.8 m 40.54 69.87 1.74 Allowed Pre-proline 0 C--N 1.31 -1.149 0 N-CA-C 119.669 3.211 . . . . 0.0 119.669 178.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -75.11 -27.89 9.45 Favored 'Trans proline' 0 CA--C 1.557 1.659 0 N-CA-C 119.389 2.803 . . . . 0.0 119.389 -177.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.54 -13.8 54.39 Favored 'General case' 0 C--O 1.211 -0.93 0 C-N-CA 124.003 0.921 . . . . 0.0 112.019 -168.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -89.92 113.67 57.91 Favored Pre-proline 0 C--N 1.289 -2.023 0 C-N-CA 126.834 2.054 . . . . 0.0 106.874 174.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -69.28 -20.3 37.27 Favored 'Trans proline' 0 CA--C 1.575 2.542 0 CA-C-N 120.74 1.3 . . . . 0.0 108.932 -174.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.2 m -151.71 160.94 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 127.987 2.515 . . . . 0.0 104.53 -172.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 20.6 m -145.87 141.2 16.43 Favored Pre-proline 0 C--N 1.347 0.492 0 C-N-CA 130.13 3.372 . . . . 0.0 115.353 -171.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.86 143.59 45.94 Favored 'Trans proline' 0 C--N 1.362 1.273 1 C-N-CA 125.339 4.026 . . . . 0.0 109.043 178.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.0 m -142.56 -19.11 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.612 3.357 0 CA-C-N 120.736 1.607 . . . . 0.0 112.542 -169.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -148.87 139.73 22.87 Favored 'General case' 0 CA--C 1.592 2.578 0 O-C-N 124.317 1.01 . . . . 0.0 110.698 176.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 24.3 tp -106.03 122.53 46.34 Favored 'General case' 0 N--CA 1.508 2.458 0 CA-C-O 115.75 -2.071 . . . . 0.0 108.602 170.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -95.44 -50.5 4.97 Favored 'General case' 0 N--CA 1.423 -1.793 0 O-C-N 126.761 2.538 . . . . 0.0 117.409 177.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . 0.299 9.1 t -162.61 167.44 23.24 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-N 120.176 1.353 . . . . 0.0 107.634 -176.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 19.0 p -133.07 129.62 38.27 Favored 'General case' 0 CA--C 1.591 2.529 0 C-N-CA 128.617 2.767 . . . . 0.0 112.392 173.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.254 0.0 OUTLIER . . . . . 0 C--N 1.401 2.807 0 O-C-N 118.857 -2.402 . . . . 0.0 109.482 -163.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo . . . . . 0 CA--C 1.548 1.178 0 N-CA-C 115.642 1.362 . . . . 0.0 115.642 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 99.6 Cg_exo -50.31 -31.37 29.51 Favored 'Trans proline' 0 N--CA 1.533 3.819 0 C-N-CA 124.398 3.399 . . . . 0.0 115.495 177.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.3 13.9 pt20 -145.28 -2.61 0.77 Allowed 'General case' 0 C--O 1.257 1.48 0 CA-C-N 121.45 1.932 . . . . 0.0 109.376 -176.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -133.44 169.88 16.31 Favored 'General case' 0 N--CA 1.504 2.258 0 CA-C-N 122.259 2.3 . . . . 0.0 111.168 -170.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.5 p -80.96 177.88 8.77 Favored 'General case' 0 N--CA 1.504 2.271 0 CA-C-N 120.79 1.632 . . . . 0.0 107.679 154.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -67.63 -35.66 79.35 Favored 'General case' 0 C--O 1.263 1.81 0 CA-C-N 114.894 -1.048 . . . . 0.0 112.728 177.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . 0.253 . . -77.97 -32.56 51.45 Favored 'General case' 0 C--N 1.371 1.52 0 O-C-N 124.758 1.286 . . . . 0.0 111.831 179.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -64.43 -46.44 83.19 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 127.364 2.266 . . . . 0.0 109.66 169.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -68.83 -33.89 74.58 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 118.2 -2.812 . . . . 0.0 110.467 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -68.2 -34.08 75.6 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 117.457 -1.259 . . . . 0.0 113.858 176.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.4 -73.54 0.04 OUTLIER 'General case' 0 N--CA 1.512 2.633 0 C-N-CA 125.206 1.402 . . . . 0.0 111.011 164.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.3 mt -46.06 -41.08 3.93 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 O-C-N 127.65 3.094 . . . . 0.0 109.312 -168.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -81.16 -17.99 47.88 Favored 'General case' 0 C--O 1.274 2.351 0 O-C-N 125.013 1.446 . . . . 0.0 113.274 -174.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -156.95 -11.05 0.09 Allowed 'General case' 0 C--O 1.189 -2.106 0 N-CA-C 119.296 3.073 . . . . 0.0 119.296 -156.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.4 mm -132.33 121.65 46.34 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.506 0 O-C-N 118.058 -2.901 . . . . 0.0 104.534 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.3 m -158.21 129.83 6.71 Favored 'General case' 0 N--CA 1.412 -2.357 0 C-N-CA 129.305 3.042 . . . . 0.0 108.88 168.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.296 21.7 tp -73.68 -33.77 64.59 Favored 'General case' 0 N--CA 1.534 3.734 0 CA-C-N 114.103 -1.408 . . . . 0.0 112.211 -172.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . 0.255 9.6 p-10 -134.68 76.56 60.22 Favored Pre-proline 0 N--CA 1.498 1.956 0 N-CA-C 114.247 1.202 . . . . 0.0 114.247 167.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.85 164.25 35.08 Favored 'Trans proline' 0 N--CA 1.52 3.031 0 C-N-CA 117.516 -1.189 . . . . 0.0 113.603 -169.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.88 176.88 6.28 Favored 'Trans proline' 0 C--O 1.198 -1.492 0 O-C-N 125.269 2.194 . . . . 0.0 109.324 169.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -65.4 160.45 21.93 Favored 'General case' 0 C--N 1.361 1.068 0 O-C-N 116.51 -3.869 . . . . 0.0 112.364 172.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 93.9 m -58.63 -38.01 77.13 Favored 'General case' 0 C--O 1.208 -1.132 0 CA-C-N 113.213 -1.812 . . . . 0.0 115.86 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.6 p -34.74 -32.61 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 120.014 3.338 . . . . 0.0 120.014 160.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.7 mm -116.51 -36.21 1.99 Allowed 'Isoleucine or valine' 0 C--O 1.265 1.894 0 CA-C-O 114.832 -2.509 . . . . 0.0 113.11 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.81 -20.84 64.33 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-N 124.203 3.183 . . . . 0.0 113.678 175.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 47.0 mmm -69.57 -28.26 65.83 Favored 'General case' 0 N--CA 1.414 -2.232 0 C-N-CA 119.089 -1.045 . . . . 0.0 113.363 176.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -58.92 -37.02 75.73 Favored 'General case' 0 N--CA 1.512 2.645 0 C-N-CA 128.005 2.522 . . . . 0.0 111.674 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.401 . . -49.65 -27.74 5.03 Favored 'General case' 0 C--N 1.364 1.207 0 CA-C-N 121.217 1.826 . . . . 0.0 111.965 175.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . 0.265 0.1 OUTLIER -109.32 -61.87 2.36 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.377 0 O-C-N 120.444 -1.41 . . . . 0.0 109.022 170.339 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -65.62 -7.38 14.75 Favored 'General case' 0 N--CA 1.414 -2.256 0 CA-C-N 124.032 3.105 . . . . 0.0 117.322 -169.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -116.92 16.66 15.14 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 118.074 -2.892 . . . . 0.0 109.353 175.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -137.85 -36.33 0.62 Allowed 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 126.727 2.011 . . . . 0.0 111.954 -169.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -95.76 163.33 13.22 Favored 'General case' 0 N--CA 1.414 -2.273 0 C-N-CA 127.42 2.288 . . . . 0.0 111.962 169.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -68.07 -20.08 64.93 Favored 'General case' 0 CA--C 1.569 1.698 0 O-C-N 119.318 -2.114 . . . . 0.0 114.569 -158.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -145.34 163.19 35.31 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 128.642 2.777 . . . . 0.0 114.859 -178.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.6 m -63.04 121.17 12.93 Favored 'General case' 0 CA--C 1.577 2.016 0 O-C-N 119.419 -2.051 . . . . 0.0 116.322 168.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.1 tttt -70.8 139.59 51.0 Favored 'General case' 1 N--CA 1.562 5.169 0 C-N-CA 125.37 1.468 . . . . 0.0 109.418 159.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -72.22 -42.76 65.37 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-O 117.673 -1.156 . . . . 0.0 113.652 -177.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -148.61 158.82 44.39 Favored 'General case' 0 CA--C 1.561 1.385 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -168.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -169.76 144.92 2.94 Favored 'General case' 0 C--O 1.199 -1.599 0 O-C-N 120.078 -1.639 . . . . 0.0 110.912 -177.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.4 m -111.78 145.45 39.37 Favored 'General case' 0 C--O 1.201 -1.478 0 C-N-CA 126.408 1.883 . . . . 0.0 110.691 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -133.11 143.72 49.47 Favored 'General case' 0 N--CA 1.51 2.533 0 C-N-CA 127.13 2.172 . . . . 0.0 108.871 177.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.0 mt -107.97 139.97 41.8 Favored 'General case' 0 C--N 1.387 2.231 0 O-C-N 124.633 1.208 . . . . 0.0 109.827 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -90.06 86.39 6.56 Favored 'General case' 0 C--N 1.366 1.307 0 CA-C-O 123.337 1.541 . . . . 0.0 109.33 172.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.2 t -160.25 -167.72 2.0 Allowed 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 112.436 -2.166 . . . . 0.0 109.296 -170.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . 0.252 69.0 p -136.0 158.55 44.13 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.95 1.7 . . . . 0.0 108.8 -165.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -71.23 -55.88 7.19 Favored 'General case' 0 CA--C 1.579 2.077 0 C-N-CA 116.127 -2.229 . . . . 0.0 112.841 -165.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.22 -21.33 59.36 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.114 1.366 . . . . 0.0 112.282 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -65.55 -35.12 79.91 Favored 'General case' 0 CA--C 1.589 2.461 0 CA-C-O 115.56 -2.162 . . . . 0.0 114.284 161.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.0 t -84.82 -26.96 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.926 0 CA-C-O 114.756 -2.545 . . . . 0.0 107.406 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 97.4 t -59.29 -40.69 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.936 0 CA-C-N 120.784 1.629 . . . . 0.0 110.183 166.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -68.8 -9.72 52.66 Favored 'General case' 0 CA--C 1.619 3.622 1 O-C-N 115.432 -4.543 . . . . 0.0 110.202 -178.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.7 t -89.97 -31.68 5.33 Favored 'Isoleucine or valine' 0 C--N 1.394 2.541 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 173.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 78.4 m -61.19 -25.26 66.91 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-O 115.919 -1.991 . . . . 0.0 112.006 155.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -93.73 -16.51 45.13 Favored Glycine 0 C--O 1.273 2.585 0 O-C-N 128.406 3.566 . . . . 0.0 114.634 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -61.27 162.55 7.48 Favored 'General case' 0 CA--C 1.59 2.505 0 N-CA-C 102.648 -3.093 . . . . 0.0 102.648 160.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . 0.255 52.9 mt-30 -57.25 147.74 24.52 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 114.458 -2.687 . . . . 0.0 114.256 -177.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 m -64.85 152.0 44.05 Favored 'General case' 0 C--O 1.269 2.098 0 N-CA-C 117.118 2.266 . . . . 0.0 117.118 173.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.2 pt -151.04 178.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.258 0 C-N-CA 125.947 1.699 . . . . 0.0 107.426 169.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.4 ptt-85 -134.53 144.29 47.92 Favored 'General case' 0 C--N 1.361 1.077 1 O-C-N 115.489 -4.507 . . . . 0.0 111.156 172.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 57.5 m -113.5 170.53 5.24 Favored Pre-proline 0 CA--C 1.61 3.27 0 N-CA-C 116.693 2.108 . . . . 0.0 116.693 -162.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -83.53 -1.54 10.19 Favored 'Trans proline' 0 N--CA 1.529 3.606 0 C-N-CA 125.286 3.99 . . . . 0.0 115.535 -173.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -132.87 22.3 4.2 Favored 'General case' 0 C--N 1.286 -2.19 0 C-N-CA 124.022 0.929 . . . . 0.0 109.223 -175.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -129.46 8.21 5.42 Favored 'General case' 0 N--CA 1.513 2.691 0 C-N-CA 126.281 1.832 . . . . 0.0 115.342 -158.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.8 ptt-85 -43.56 -36.42 2.08 Favored 'General case' 0 C--O 1.217 -0.623 0 C-N-CA 127.407 2.283 . . . . 0.0 115.561 -177.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.0 p -51.8 -38.71 56.8 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 128.689 2.795 . . . . 0.0 111.913 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.362 2.3 pt? -128.5 -10.1 5.11 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 113.713 -3.042 . . . . 0.0 114.306 176.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.9 t30 57.17 25.87 11.48 Favored 'General case' 0 N--CA 1.434 -1.225 0 O-C-N 126.64 2.462 . . . . 0.0 115.021 167.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -152.31 136.59 16.65 Favored 'General case' 0 N--CA 1.438 -1.033 0 O-C-N 117.725 -3.109 . . . . 0.0 106.457 -175.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.1 p -155.66 178.44 10.25 Favored 'General case' 0 C--N 1.365 1.276 0 CA-C-O 117.152 -1.404 . . . . 0.0 110.655 -172.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -152.78 154.52 35.35 Favored 'General case' 0 N--CA 1.408 -2.535 0 CA-C-O 124.488 2.09 . . . . 0.0 109.383 175.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -124.88 153.68 42.24 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 123.613 1.673 . . . . 0.0 111.323 173.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 94.7 p -65.9 164.8 14.26 Favored 'General case' 0 N--CA 1.515 2.822 0 CA-C-N 114.196 -1.366 . . . . 0.0 113.973 -175.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 47.6 mtt-85 -101.47 -18.01 16.18 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 114.522 -1.217 . . . . 0.0 113.988 -172.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -138.68 168.76 19.1 Favored 'General case' 0 CA--C 1.605 3.06 0 O-C-N 127.252 2.845 . . . . 0.0 111.31 172.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.4 mtm180 -67.82 148.85 50.65 Favored 'General case' 0 C--O 1.2 -1.523 0 O-C-N 118.111 -2.868 . . . . 0.0 112.513 163.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.2 m -131.09 153.24 81.69 Favored Pre-proline 0 N--CA 1.512 2.627 0 O-C-N 118.61 -2.557 . . . . 0.0 112.981 173.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -70.4 161.57 45.53 Favored 'Trans proline' 0 CA--C 1.483 -2.039 0 CA-C-N 124.202 2.536 . . . . 0.0 112.795 169.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 pp -155.67 176.28 12.82 Favored 'General case' 0 CA--C 1.562 1.434 0 O-C-N 126.77 2.543 . . . . 0.0 115.839 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 44.2 tp -132.22 141.72 49.16 Favored 'General case' 0 CA--C 1.576 1.974 0 C-N-CA 128.317 2.647 . . . . 0.0 110.44 168.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -120.46 156.58 31.17 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 105.885 -1.894 . . . . 0.0 105.885 162.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 91.2 m -129.59 144.5 51.3 Favored 'General case' 0 CA--C 1.487 -1.442 0 CA-C-N 113.886 -1.506 . . . . 0.0 107.285 -170.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -129.25 118.46 22.38 Favored 'General case' 0 C--O 1.274 2.351 0 C-N-CA 127.274 2.23 . . . . 0.0 111.912 -169.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.6 tp -68.61 107.6 3.02 Favored 'General case' 0 C--O 1.189 -2.096 0 CA-C-N 121.076 1.762 . . . . 0.0 111.025 169.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.4 pt -80.99 9.74 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.581 2.162 0 CA-C-O 122.816 1.294 . . . . 0.0 111.266 -175.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -130.52 66.42 78.4 Favored Pre-proline 0 N--CA 1.533 3.725 0 O-C-N 120.094 -1.629 . . . . 0.0 111.542 175.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -59.38 -17.69 41.74 Favored 'Trans proline' 0 N--CA 1.509 2.441 0 C-N-CA 124.447 3.431 . . . . 0.0 118.821 -154.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -103.34 -15.27 23.76 Favored Glycine 0 N--CA 1.511 3.698 1 C-N-CA 131.561 4.41 . . . . 0.0 116.211 174.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.29 149.66 28.15 Favored 'General case' 1 N--CA 1.544 4.226 0 CA-C-N 121.304 2.552 . . . . 0.0 112.191 160.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -144.59 3.33 1.12 Allowed 'General case' 0 N--CA 1.425 -1.722 0 C-N-CA 127.336 2.254 . . . . 0.0 110.958 -172.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -127.07 129.07 47.29 Favored 'General case' 0 N--CA 1.504 2.251 0 C-N-CA 129.383 3.073 . . . . 0.0 111.493 175.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 29.9 pt -56.28 -14.92 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 172.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.0 m -55.97 -14.97 2.86 Favored 'General case' 0 CA--C 1.586 2.334 1 O-C-N 114.846 -4.909 . . . . 0.0 115.47 161.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -148.71 -4.45 0.44 Allowed 'General case' 0 CA--C 1.596 2.724 0 O-C-N 120.297 -1.502 . . . . 0.0 111.535 177.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 72.4 m -66.38 133.55 50.72 Favored 'General case' 0 CA--C 1.583 2.243 0 O-C-N 119.38 -2.075 . . . . 0.0 113.261 171.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -130.65 163.7 26.62 Favored 'General case' 0 CA--C 1.574 1.888 0 O-C-N 120.556 -1.34 . . . . 0.0 109.855 173.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -133.22 163.2 29.81 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.668 1.987 . . . . 0.0 112.766 -167.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -143.62 -175.87 4.74 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 116.991 -1.48 . . . . 0.0 111.184 159.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -116.59 140.34 49.5 Favored 'General case' 0 N--CA 1.52 3.067 0 C-N-CA 127.538 2.335 . . . . 0.0 108.644 -166.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -131.82 83.63 56.73 Favored Pre-proline 0 C--N 1.274 -2.714 0 CA-C-N 113.934 -1.484 . . . . 0.0 114.997 162.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -56.46 142.36 89.38 Favored 'Trans proline' 0 C--N 1.382 2.298 1 C-N-CA 125.73 4.287 . . . . 0.0 114.425 168.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -168.45 -164.24 23.81 Favored Glycine 0 C--O 1.203 -1.791 0 O-C-N 125.794 1.934 . . . . 0.0 111.989 -178.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -160.32 104.45 1.45 Allowed 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 116.7 -1.619 . . . . 0.0 108.939 -166.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 39.9 mtm-85 -141.13 169.88 16.78 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 116.304 1.965 . . . . 0.0 116.304 -170.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -73.28 166.08 23.84 Favored 'General case' 0 N--CA 1.538 3.957 0 CA-C-N 112.304 -2.226 . . . . 0.0 111.479 156.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -148.01 171.95 15.0 Favored 'General case' 0 C--O 1.206 -1.196 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 175.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.8 t -138.1 119.5 17.37 Favored 'Isoleucine or valine' 0 C--O 1.305 3.987 1 C-N-CA 132.812 4.445 . . . . 0.0 109.797 -171.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.8 m -129.41 165.48 29.28 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.412 0 C-N-CA 126.761 2.024 . . . . 0.0 111.257 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -120.25 152.26 38.01 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 117.715 -3.116 . . . . 0.0 111.637 165.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 74.4 m -142.5 157.76 44.4 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 126.492 2.37 . . . . 0.0 111.554 -163.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -150.15 -179.77 7.45 Favored 'General case' 0 CA--C 1.585 2.309 0 CA-C-N 113.16 -1.836 . . . . 0.0 112.574 -170.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -67.06 148.3 52.08 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 123.417 0.687 . . . . 0.0 109.828 175.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -52.21 156.53 1.63 Allowed 'General case' 0 N--CA 1.495 1.819 0 CA-C-O 127.743 3.64 . . . . 0.0 109.25 178.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -62.14 144.16 94.63 Favored Pre-proline 0 CA--C 1.599 2.863 0 O-C-N 118.676 -2.515 . . . . 0.0 109.159 161.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -54.41 -19.09 16.32 Favored 'Trans proline' 0 N--CA 1.534 3.877 0 CA-C-O 111.32 -3.7 . . . . 0.0 116.517 172.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -139.49 -23.54 0.88 Allowed 'General case' 0 N--CA 1.516 2.84 1 CA-C-N 128.244 5.02 . . . . 0.0 115.31 172.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -75.35 146.38 40.95 Favored 'General case' 0 C--N 1.406 3.055 0 O-C-N 120.659 -1.275 . . . . 0.0 110.427 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.4 m 44.55 66.57 4.88 Favored Pre-proline 0 N--CA 1.506 2.351 0 N-CA-C 116.834 2.161 . . . . 0.0 116.834 170.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.26 -12.02 25.18 Favored 'Trans proline' 0 N--CA 1.5 1.881 0 N-CA-C 121.097 3.46 . . . . 0.0 121.097 -170.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -70.37 -21.86 62.83 Favored 'General case' 0 CA--C 1.574 1.879 0 CA-C-O 121.495 0.664 . . . . 0.0 111.448 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -110.33 95.59 22.86 Favored Pre-proline 0 C--O 1.262 1.763 0 O-C-N 117.65 -3.156 . . . . 0.0 111.345 -171.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -58.68 -24.51 71.19 Favored 'Trans proline' 0 N--CA 1.443 -1.478 0 C-N-CA 124.35 3.366 . . . . 0.0 116.905 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 35.0 m -128.2 144.76 36.78 Favored 'Isoleucine or valine' 0 C--N 1.374 1.661 0 O-C-N 126.227 2.204 . . . . 0.0 111.974 169.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 3.3 m -148.5 154.59 41.58 Favored Pre-proline 0 N--CA 1.519 3.007 0 C-N-CA 127.321 2.249 . . . . 0.0 111.041 -169.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -72.68 144.53 39.78 Favored 'Trans proline' 1 CA--C 1.429 -4.737 0 O-C-N 128.547 3.92 . . . . 0.0 110.705 178.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 19.1 m -131.18 -15.73 1.57 Allowed 'Isoleucine or valine' 0 CA--C 1.586 2.332 0 O-C-N 125.675 1.859 . . . . 0.0 112.288 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -153.79 155.49 35.94 Favored 'General case' 0 N--CA 1.505 2.277 2 O-C-N 116.231 -4.043 . . . . 0.0 119.762 -174.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 15.4 tp -138.43 142.0 39.52 Favored 'General case' 0 N--CA 1.506 2.332 0 N-CA-C 105.162 -2.162 . . . . 0.0 105.162 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -122.82 -34.12 3.26 Favored 'General case' 0 CA--C 1.576 1.954 0 N-CA-C 119.061 2.985 . . . . 0.0 119.061 -170.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.2 t -160.61 170.99 19.73 Favored 'General case' 0 CA--C 1.562 1.438 0 CA-C-N 113.323 -1.762 . . . . 0.0 111.754 -170.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 82.3 p -144.39 141.78 29.91 Favored 'General case' 0 N--CA 1.491 1.581 1 C-N-CA 133.386 4.674 . . . . 0.0 116.508 155.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.501 2.101 0 CA-C-N 122.406 2.366 . . . . 0.0 108.519 -153.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo . . . . . 0 N--CA 1.492 1.441 0 CA-C-O 117.545 -1.106 . . . . 0.0 109.795 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -55.37 -28.86 65.36 Favored 'Trans proline' 0 CA--C 1.551 1.342 1 C-N-CA 129.84 7.027 . . . . 0.0 120.926 -175.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.336 4.5 pt20 -145.51 2.91 0.98 Allowed 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 176.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -114.23 171.96 7.3 Favored 'General case' 0 CA--C 1.589 2.446 0 O-C-N 119.811 -1.805 . . . . 0.0 111.823 171.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.0 p -91.11 158.7 16.5 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 158.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -60.76 -44.08 97.19 Favored 'General case' 0 C--N 1.367 1.343 0 O-C-N 117.421 -3.299 . . . . 0.0 112.063 -176.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.49 -38.42 53.86 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 128.249 2.619 . . . . 0.0 115.898 168.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -68.08 -50.86 52.38 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 126.216 1.807 . . . . 0.0 110.73 175.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -68.98 -34.17 74.87 Favored 'General case' 0 C--N 1.371 1.521 0 CA-C-N 114.077 -1.419 . . . . 0.0 110.801 -173.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -49.98 -55.61 13.91 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.688 1.195 . . . . 0.0 112.215 166.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.28 -44.14 80.05 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 128.94 2.896 . . . . 0.0 111.452 -177.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.2 mt -62.75 -26.97 42.07 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.434 0 CA-C-O 122.825 1.298 . . . . 0.0 112.302 176.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -82.47 -29.85 30.34 Favored 'General case' 0 N--CA 1.486 1.363 1 CA-C-O 111.311 -4.185 . . . . 0.0 116.423 170.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -144.22 -6.69 0.73 Allowed 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 118.886 2.921 . . . . 0.0 118.886 -165.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 8.6 mm -135.73 107.35 7.1 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 C-N-CA 127.145 2.178 . . . . 0.0 109.755 -171.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 m -152.87 110.89 3.63 Favored 'General case' 0 CA--C 1.566 1.576 0 C-N-CA 129.099 2.96 . . . . 0.0 109.165 -174.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.3 tp -59.93 -36.63 77.44 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 123.358 2.799 . . . . 0.0 113.999 -175.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -144.42 48.74 0.91 Allowed Pre-proline 0 CA--C 1.574 1.884 0 C-N-CA 128.456 2.702 . . . . 0.0 108.59 -157.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -72.22 158.76 51.27 Favored 'Trans proline' 0 N--CA 1.435 -1.92 0 C-N-CA 122.36 2.04 . . . . 0.0 115.269 -167.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -68.67 176.34 6.03 Favored 'Trans proline' 0 CA--C 1.574 2.478 1 C-N-CA 125.59 4.193 . . . . 0.0 109.246 170.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -56.85 155.59 7.7 Favored 'General case' 1 N--CA 1.552 4.63 0 CA-C-N 114.117 -1.401 . . . . 0.0 113.291 162.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 62.3 m -54.03 -32.35 54.07 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 128.062 2.545 . . . . 0.0 116.179 169.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 45.3 p -37.99 -24.28 0.01 OUTLIER 'General case' 0 CA--C 1.588 2.435 0 CA-C-N 123.574 2.897 . . . . 0.0 114.435 160.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 37.5 mm -128.92 -35.46 0.69 Allowed 'Isoleucine or valine' 0 C--O 1.252 1.207 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 -166.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.16 -33.5 75.9 Favored 'General case' 0 CA--C 1.578 2.045 0 CA-C-O 115.702 -2.094 . . . . 0.0 110.832 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 58.6 mmm -73.44 -19.37 60.98 Favored 'General case' 0 C--O 1.257 1.466 0 O-C-N 128.012 3.32 . . . . 0.0 109.047 -177.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.33 -32.1 73.43 Favored 'General case' 0 C--N 1.404 2.941 0 CA-C-N 122.377 2.353 . . . . 0.0 111.057 170.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.84 -24.62 1.04 Allowed 'General case' 0 N--CA 1.443 -0.819 1 O-C-N 115.925 -4.234 . . . . 0.0 121.412 169.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -121.84 -38.34 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.422 -1.853 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 173.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -76.38 -0.42 22.66 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 116.66 -3.775 . . . . 0.0 119.652 -176.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -121.74 -4.49 9.19 Favored 'General case' 0 CA--C 1.598 2.821 0 N-CA-C 116.985 2.217 . . . . 0.0 116.985 166.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -77.18 -27.43 53.63 Favored 'General case' 0 C--O 1.211 -0.968 0 O-C-N 126.83 2.582 . . . . 0.0 112.859 164.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 61.5 mtt85 -135.7 165.51 25.4 Favored 'General case' 0 C--N 1.405 2.982 0 O-C-N 118.61 -2.557 . . . . 0.0 110.597 -167.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 -54.06 -29.74 45.29 Favored 'General case' 0 CA--C 1.487 -1.466 0 N-CA-C 120.985 3.698 . . . . 0.0 120.985 -171.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -137.57 157.17 47.09 Favored 'General case' 0 N--CA 1.518 2.963 1 C-N-CA 131.988 4.115 . . . . 0.0 113.291 -177.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.2 m -42.96 113.01 0.42 Allowed 'General case' 0 C--N 1.363 1.178 0 N-CA-C 116.447 2.018 . . . . 0.0 116.447 157.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -53.82 129.0 32.1 Favored 'General case' 0 C--O 1.181 -2.52 0 C-N-CA 128.467 2.707 . . . . 0.0 111.173 154.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -79.25 -31.79 43.59 Favored 'General case' 0 N--CA 1.41 -2.474 0 CA-C-N 121.838 2.108 . . . . 0.0 112.976 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -144.51 156.69 44.29 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 104.751 -2.315 . . . . 0.0 104.751 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -162.12 147.0 12.68 Favored 'General case' 0 CA--C 1.559 1.292 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 170.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.7 m -119.42 130.32 55.22 Favored 'General case' 0 C--N 1.372 1.587 0 C-N-CA 126.471 1.909 . . . . 0.0 107.845 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -118.96 133.46 55.81 Favored 'General case' 0 CA--C 1.569 1.702 0 C-N-CA 130.438 3.495 . . . . 0.0 114.865 174.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.0 mt -110.23 142.43 41.8 Favored 'General case' 0 CA--C 1.596 2.72 0 CA-C-N 123.137 2.699 . . . . 0.0 113.022 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -98.07 68.85 2.01 Favored 'General case' 0 N--CA 1.509 2.477 0 CA-C-O 122.107 0.956 . . . . 0.0 112.558 -174.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.3 t -142.68 158.68 43.4 Favored 'General case' 0 CA--C 1.568 1.661 0 C-N-CA 126.761 2.024 . . . . 0.0 112.806 171.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . 0.292 42.5 p -71.45 147.88 47.41 Favored 'General case' 0 C--O 1.167 -3.279 0 N-CA-C 117.964 2.579 . . . . 0.0 117.964 173.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -54.03 -41.16 67.72 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 118.156 -0.926 . . . . 0.0 111.845 -172.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.71 -20.97 57.99 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 127.418 2.287 . . . . 0.0 116.095 -176.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -71.94 -39.88 69.13 Favored 'General case' 0 C--O 1.257 1.483 0 CA-C-O 114.996 -2.431 . . . . 0.0 108.745 166.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.36 -30.38 49.63 Favored 'Isoleucine or valine' 0 C--O 1.17 -3.107 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 164.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.6 t -60.0 -38.77 78.06 Favored 'Isoleucine or valine' 0 C--O 1.271 2.217 0 C-N-CA 117.246 -1.781 . . . . 0.0 113.01 175.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -61.95 -26.43 68.19 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-O 116.461 -1.733 . . . . 0.0 115.204 170.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.8 t -66.74 -42.1 88.95 Favored 'Isoleucine or valine' 0 C--N 1.372 1.549 0 O-C-N 125.509 1.756 . . . . 0.0 110.606 167.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 84.1 m -62.56 -34.3 76.68 Favored 'General case' 0 C--N 1.371 1.525 0 C-N-CA 116.585 -2.046 . . . . 0.0 108.903 174.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.69 -20.94 53.89 Favored Glycine 1 CA--C 1.587 4.59 0 C-N-CA 124.702 1.144 . . . . 0.0 111.333 175.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -74.32 167.9 20.72 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 117.606 -3.291 . . . . 0.0 111.299 -177.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -45.67 141.44 2.87 Favored 'General case' 0 N--CA 1.529 3.514 1 O-C-N 116.011 -4.181 . . . . 0.0 116.465 -174.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.2 m -84.04 130.46 34.87 Favored 'General case' 0 CA--C 1.572 1.817 0 N-CA-C 114.228 1.195 . . . . 0.0 114.228 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 35.0 pt -137.04 -165.48 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.527 3.383 0 CA-C-O 123.135 1.445 . . . . 0.0 108.369 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.7 ptt-85 -128.68 176.79 7.52 Favored 'General case' 0 C--O 1.258 1.535 0 O-C-N 117.923 -2.986 . . . . 0.0 114.405 170.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.3 m -158.35 154.06 22.9 Favored Pre-proline 0 N--CA 1.444 -0.74 0 O-C-N 118.677 -2.515 . . . . 0.0 110.868 -153.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -70.11 -24.36 28.18 Favored 'Trans proline' 0 N--CA 1.439 -1.728 0 C-N-CA 122.648 2.232 . . . . 0.0 115.398 -166.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -130.47 44.05 3.02 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 117.742 -3.099 . . . . 0.0 111.547 -174.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -126.48 5.37 6.89 Favored 'General case' 0 C--O 1.267 2.022 0 O-C-N 118.405 -2.684 . . . . 0.0 113.978 -163.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -62.69 -16.11 55.72 Favored 'General case' 0 C--N 1.38 1.904 0 CA-C-O 116.645 -1.645 . . . . 0.0 110.741 -168.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.417 ' H ' ' HG1' ' A' ' 67' ' ' THR . 34.6 p -56.56 -6.09 0.27 Allowed 'General case' 0 N--CA 1.535 3.822 0 CA-C-N 123.902 3.047 . . . . 0.0 119.153 166.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.332 1.8 pt? -161.58 -16.33 0.04 OUTLIER 'General case' 0 CA--C 1.47 -2.134 0 C-N-CA 127.387 2.275 . . . . 0.0 116.457 176.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.265 59.4 t30 55.8 33.15 20.93 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 121.382 1.901 . . . . 0.0 113.116 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -149.91 130.84 14.28 Favored 'General case' 0 CA--C 1.606 3.114 0 CA-C-O 122.365 1.079 . . . . 0.0 113.173 175.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 9.2 p -138.52 178.87 6.82 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 128.845 2.858 . . . . 0.0 106.795 168.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -139.35 160.11 40.59 Favored 'General case' 0 CA--C 1.589 2.467 1 C-N-CA 134.246 5.018 . . . . 0.0 109.73 175.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -135.87 144.5 45.63 Favored 'General case' 0 C--O 1.244 0.764 0 O-C-N 120.802 -1.186 . . . . 0.0 111.976 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.8 p -57.28 144.83 34.1 Favored 'General case' 0 CA--C 1.578 2.031 0 C-N-CA 127.622 2.369 . . . . 0.0 114.021 -167.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 80.2 mtt-85 -73.9 -15.82 61.13 Favored 'General case' 0 N--CA 1.51 2.57 0 C-N-CA 124.882 1.273 . . . . 0.0 114.003 -175.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -159.61 167.37 28.63 Favored 'General case' 0 CA--C 1.556 1.178 1 C-N-CA 132.189 4.196 . . . . 0.0 112.13 -175.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -81.15 152.99 27.5 Favored 'General case' 0 CA--C 1.487 -1.447 0 O-C-N 125.369 1.668 . . . . 0.0 109.902 177.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -121.16 153.41 58.01 Favored Pre-proline 0 CA--C 1.469 -2.16 0 CA-C-O 116.843 -1.551 . . . . 0.0 106.926 177.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -64.0 153.11 77.82 Favored 'Trans proline' 0 N--CA 1.42 -2.826 0 C-N-CA 121.369 1.379 . . . . 0.0 110.084 156.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 pp -150.47 179.51 8.09 Favored 'General case' 0 CA--C 1.571 1.782 0 C-N-CA 129.498 3.119 . . . . 0.0 116.131 175.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.2 tp -140.66 102.59 4.34 Favored 'General case' 0 C--N 1.308 -1.197 0 C-N-CA 125.913 1.685 . . . . 0.0 107.247 177.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -76.83 138.23 39.7 Favored 'General case' 0 CA--C 1.554 1.096 0 CA-C-O 125.543 2.592 . . . . 0.0 115.281 152.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 89.4 m -123.51 138.15 54.63 Favored 'General case' 0 C--O 1.277 2.517 0 CA-C-N 112.544 -2.116 . . . . 0.0 108.961 -176.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -132.3 128.06 36.94 Favored 'General case' 0 CA--C 1.575 1.924 0 C-N-CA 129.877 3.271 . . . . 0.0 114.813 -166.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.0 tp -80.28 119.48 23.08 Favored 'General case' 0 C--N 1.367 1.354 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 172.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.458 5.4 pt -64.24 -6.45 2.75 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.916 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 -164.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -144.8 106.46 4.59 Favored Pre-proline 0 CA--C 1.569 1.697 0 C-N-CA 128.142 2.577 . . . . 0.0 107.806 -178.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -42.74 -35.35 4.13 Favored 'Trans proline' 0 CA--C 1.578 2.71 0 N-CA-C 116.102 1.539 . . . . 0.0 116.102 164.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -76.0 -10.54 85.15 Favored Glycine 0 CA--C 1.563 3.048 0 N-CA-C 118.303 2.081 . . . . 0.0 118.303 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.01 144.35 40.93 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 117.813 2.523 . . . . 0.0 117.813 173.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -144.23 -32.63 0.42 Allowed 'General case' 0 N--CA 1.531 3.588 0 C-N-CA 117.159 -1.816 . . . . 0.0 110.859 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -92.09 130.21 37.87 Favored 'General case' 0 C--O 1.251 1.16 0 C-N-CA 127.668 2.387 . . . . 0.0 108.632 177.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.267 2.3 pp -56.57 -23.75 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 CA-C-O 116.08 -1.915 . . . . 0.0 114.92 171.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . 0.267 16.7 m -57.36 -8.71 0.83 Allowed 'General case' 0 N--CA 1.51 2.529 0 CA-C-O 117.067 -1.444 . . . . 0.0 114.529 167.379 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -134.53 -36.14 0.88 Allowed 'General case' 0 CA--C 1.578 2.04 0 N-CA-C 117.302 2.334 . . . . 0.0 117.302 -170.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 74.1 m -53.1 132.04 37.53 Favored 'General case' 0 C--N 1.289 -2.058 0 C-N-CA 130.528 3.531 . . . . 0.0 117.387 175.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -135.29 151.29 50.41 Favored 'General case' 0 N--CA 1.525 3.3 0 C-N-CA 128.7 2.8 . . . . 0.0 115.355 -178.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -142.34 148.19 37.53 Favored 'General case' 0 C--N 1.364 1.21 0 CA-C-N 122.977 2.626 . . . . 0.0 108.499 -150.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -146.8 157.57 43.7 Favored 'General case' 0 C--O 1.255 1.365 0 CA-C-O 124.335 2.017 . . . . 0.0 113.008 -177.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -91.18 138.13 31.83 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 129.925 3.29 . . . . 0.0 117.373 -172.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -142.08 72.08 22.94 Favored Pre-proline 0 N--CA 1.5 2.071 0 C-N-CA 124.76 1.224 . . . . 0.0 112.6 172.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -64.68 165.24 21.32 Favored 'Trans proline' 0 C--O 1.293 3.253 0 C-N-CA 124.511 3.474 . . . . 0.0 108.767 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -179.67 -168.26 38.22 Favored Glycine 0 C--O 1.278 2.882 0 O-C-N 118.96 -2.338 . . . . 0.0 112.342 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -153.92 129.48 9.96 Favored 'General case' 0 N--CA 1.437 -1.076 0 C-N-CA 126.346 1.859 . . . . 0.0 112.039 175.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 90.0 mtm-85 -166.43 155.21 10.84 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 130.108 3.363 . . . . 0.0 114.522 -162.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -66.86 176.01 2.22 Favored 'General case' 1 N--CA 1.541 4.088 0 CA-C-O 124.844 2.259 . . . . 0.0 111.191 161.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -156.67 162.91 39.81 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 118.091 -2.881 . . . . 0.0 112.552 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.2 t -132.14 117.93 34.77 Favored 'Isoleucine or valine' 0 C--N 1.368 1.381 0 C-N-CA 130.094 3.357 . . . . 0.0 109.334 -161.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 15.6 m -133.35 152.6 35.73 Favored 'Isoleucine or valine' 0 C--O 1.275 2.441 0 C-N-CA 127.91 2.484 . . . . 0.0 113.59 -172.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -103.58 167.07 10.03 Favored 'General case' 0 N--CA 1.434 -1.257 0 C-N-CA 126.811 2.044 . . . . 0.0 109.76 168.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 91.9 m -160.97 149.34 16.08 Favored 'General case' 0 N--CA 1.506 2.344 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.541 -159.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -155.75 169.91 23.27 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 104.809 -2.293 . . . . 0.0 104.809 -158.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -56.42 139.0 50.32 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-N 110.988 -2.824 . . . . 0.0 116.254 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -42.64 138.94 1.72 Allowed 'General case' 0 N--CA 1.504 2.239 0 C-N-CA 126.414 1.886 . . . . 0.0 111.689 167.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -49.72 147.14 6.57 Favored Pre-proline 0 C--N 1.284 -2.276 0 C-N-CA 128.418 2.687 . . . . 0.0 111.376 163.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -60.13 -19.75 58.06 Favored 'Trans proline' 0 N--CA 1.444 -1.41 0 C-N-CA 122.502 2.135 . . . . 0.0 116.798 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -135.34 -34.53 0.85 Allowed 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 113.082 -3.342 . . . . 0.0 109.881 178.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -75.94 141.16 42.34 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 123.395 2.816 . . . . 0.0 115.462 -170.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.0 m 37.36 58.68 4.18 Favored Pre-proline 0 C--O 1.275 2.421 0 N-CA-C 118.029 2.604 . . . . 0.0 118.029 -178.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -51.21 -29.63 29.96 Favored 'Trans proline' 0 N--CA 1.505 2.187 1 C-N-CA 126.431 4.754 . . . . 0.0 114.926 176.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -45.73 -26.78 0.69 Allowed 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 128.237 2.615 . . . . 0.0 115.831 175.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . 0.324 22.5 m-85 -113.02 89.13 13.18 Favored Pre-proline 0 CA--C 1.591 2.535 1 C-N-CA 131.973 4.109 . . . . 0.0 120.092 -170.5 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -48.36 -34.42 25.17 Favored 'Trans proline' 0 N--CA 1.509 2.408 0 CA-C-N 121.041 1.408 . . . . 0.0 114.274 -175.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 3.6 m -127.87 149.56 32.91 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.442 0 CA-C-O 114.767 -2.539 . . . . 0.0 112.554 177.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 27.5 m -126.45 143.23 45.43 Favored Pre-proline 0 N--CA 1.485 1.319 0 CA-C-N 122.672 2.487 . . . . 0.0 115.366 174.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -73.88 129.86 13.87 Favored 'Trans proline' 0 C--O 1.267 1.939 0 C-N-CA 124.314 3.343 . . . . 0.0 110.421 175.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 15.7 m -127.75 -16.91 2.63 Favored 'Isoleucine or valine' 0 C--O 1.177 -2.761 1 C-N-CA 133.651 4.78 . . . . 0.0 116.041 -171.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -146.92 157.08 43.54 Favored 'General case' 0 CA--C 1.592 2.593 0 CA-C-N 120.692 1.587 . . . . 0.0 111.759 173.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . 0.267 33.1 tp -140.21 129.32 23.61 Favored 'General case' 0 CA--C 1.576 1.943 0 C-N-CA 130.183 3.393 . . . . 0.0 110.051 -177.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -108.88 -39.65 5.26 Favored 'General case' 0 C--N 1.283 -2.315 0 CA-C-O 115.868 -2.015 . . . . 0.0 116.023 -176.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.6 t -153.27 166.96 30.92 Favored 'General case' 0 C--N 1.394 2.512 0 CA-C-O 128.431 3.967 . . . . 0.0 115.57 -178.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 44.0 p -126.41 140.15 52.71 Favored 'General case' 0 C--O 1.261 1.677 0 O-C-N 117.918 -2.989 . . . . 0.0 108.97 167.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.25 0.2 OUTLIER . . . . . 0 CA--C 1.558 1.288 0 O-C-N 127.332 2.895 . . . . 0.0 115.642 -172.069 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo . . . . . 0 CA--C 1.581 2.85 0 CA-C-O 114.336 -2.444 . . . . 0.0 109.219 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -41.72 -28.67 0.72 Allowed 'Trans proline' 0 C--N 1.303 -1.863 0 C-N-CA 124.101 3.201 . . . . 0.0 118.83 -170.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -158.52 15.86 0.2 Allowed 'General case' 0 CA--C 1.547 0.839 1 N-CA-C 122.151 4.13 . . . . 0.0 122.151 -166.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.471 ' CZ ' HD13 ' A' ' 13' ' ' ILE . 32.2 m-85 -143.26 171.67 13.79 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 122.377 1.084 . . . . 0.0 108.746 178.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 p -62.07 157.12 19.69 Favored 'General case' 1 N--CA 1.571 5.6 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 158.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -66.28 -29.53 69.77 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 123.493 2.861 . . . . 0.0 113.164 177.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.07 -30.54 55.52 Favored 'General case' 0 C--N 1.383 2.033 0 C-N-CA 126.857 2.063 . . . . 0.0 110.574 175.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -68.38 -52.05 37.34 Favored 'General case' 0 N--CA 1.518 2.967 0 O-C-N 118.815 -2.428 . . . . 0.0 105.532 177.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 6.2 t-105 -49.65 -50.21 44.11 Favored 'General case' 0 CA--C 1.596 2.737 0 N-CA-C 116.329 1.974 . . . . 0.0 116.329 173.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -49.12 -49.17 43.27 Favored 'General case' 0 C--N 1.282 -2.328 0 CA-C-O 115.023 -2.417 . . . . 0.0 112.967 172.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.13 -60.75 2.89 Favored 'General case' 0 C--N 1.391 2.405 1 C-N-CA 131.977 4.111 . . . . 0.0 110.713 173.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.471 HD13 ' CZ ' ' A' ' 5' ' ' PHE . 18.8 mt -46.72 -32.54 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.513 2.691 0 CA-C-O 123.412 1.577 . . . . 0.0 115.185 -178.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -96.76 -22.76 16.77 Favored 'General case' 0 C--O 1.258 1.519 0 CA-C-O 115.04 -2.409 . . . . 0.0 111.82 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -144.48 -23.29 0.53 Allowed 'General case' 0 C--O 1.268 2.072 0 N-CA-C 118.121 2.637 . . . . 0.0 118.121 -164.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.1 mm -105.67 117.44 51.39 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.155 1 CA-C-N 126.096 4.044 . . . . 0.0 110.442 173.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.4 m -142.45 94.79 2.69 Favored 'General case' 0 C--N 1.343 0.284 0 N-CA-C 105.258 -2.127 . . . . 0.0 105.258 -171.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.4 tp -55.38 -34.68 64.54 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 124.75 2.214 . . . . 0.0 111.875 -176.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -153.58 79.94 5.26 Favored Pre-proline 0 CA--C 1.591 2.521 0 O-C-N 117.686 -3.134 . . . . 0.0 112.645 -168.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -68.02 161.74 42.93 Favored 'Trans proline' 0 N--CA 1.418 -2.96 0 O-C-N 125.277 2.198 . . . . 0.0 116.66 -158.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -86.0 169.3 8.96 Favored 'Trans proline' 0 N--CA 1.432 -2.101 1 C-N-CA 125.592 4.195 . . . . 0.0 111.155 160.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -55.94 146.06 23.29 Favored 'General case' 0 CA--C 1.581 2.157 0 O-C-N 118.751 -2.468 . . . . 0.0 112.823 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 6.8 m -54.62 -33.69 60.9 Favored 'General case' 0 CA--C 1.605 3.061 0 CA-C-N 121.315 1.871 . . . . 0.0 114.105 -176.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.1 p -51.08 -17.0 0.54 Allowed 'General case' 0 N--CA 1.537 3.923 1 C-N-CA 132.248 4.219 . . . . 0.0 114.844 166.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.9 mm -118.12 -40.59 2.33 Favored 'Isoleucine or valine' 0 C--O 1.248 1.021 0 O-C-N 127.624 3.077 . . . . 0.0 112.02 170.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.18 -45.7 75.78 Favored 'General case' 0 N--CA 1.505 2.278 0 CA-C-O 117.236 -1.364 . . . . 0.0 113.015 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 66.7 mmm -62.24 -25.25 67.72 Favored 'General case' 0 N--CA 1.442 -0.873 0 O-C-N 126.674 2.483 . . . . 0.0 115.99 176.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -66.35 -21.81 66.25 Favored 'General case' 0 N--CA 1.491 1.616 1 O-C-N 113.919 -5.488 . . . . 0.0 112.482 -171.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.51 -14.14 48.01 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 117.414 2.376 . . . . 0.0 117.414 170.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . 0.304 39.5 pt -126.26 -48.72 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 CA-C-N 113.929 -1.487 . . . . 0.0 114.782 169.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 -77.98 1.61 20.24 Favored 'General case' 0 N--CA 1.507 2.412 0 CA-C-O 114.196 -2.811 . . . . 0.0 111.177 -168.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -129.85 8.81 5.31 Favored 'General case' 0 CA--C 1.563 1.46 0 CA-C-O 124.943 2.306 . . . . 0.0 111.47 176.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.295 81.9 t80 -136.45 20.68 3.14 Favored 'General case' 0 N--CA 1.505 2.306 0 C-N-CA 126.621 1.968 . . . . 0.0 113.447 -173.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -158.42 148.91 20.18 Favored 'General case' 0 CA--C 1.493 -1.247 1 C-N-CA 132.446 4.298 . . . . 0.0 108.413 -170.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . 0.3 0.6 OUTLIER -61.44 -15.41 36.99 Favored 'General case' 0 CA--C 1.557 1.249 0 N-CA-C 118.025 2.602 . . . . 0.0 118.025 -172.234 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -139.71 160.25 40.32 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 125.146 2.403 . . . . 0.0 111.349 -177.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 33.6 m -66.59 125.03 24.49 Favored 'General case' 0 N--CA 1.515 2.799 0 O-C-N 118.552 -2.592 . . . . 0.0 111.204 158.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -84.59 149.24 26.0 Favored 'General case' 0 C--N 1.366 1.288 0 O-C-N 126.441 2.338 . . . . 0.0 108.506 168.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -78.03 -68.51 0.63 Allowed 'General case' 0 C--N 1.364 1.206 1 C-N-CA 131.792 4.037 . . . . 0.0 106.54 -163.286 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -115.47 148.83 38.98 Favored 'General case' 0 N--CA 1.519 2.992 0 C-N-CA 126.143 1.777 . . . . 0.0 114.057 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -156.42 165.88 35.05 Favored 'General case' 0 C--O 1.246 0.876 0 O-C-N 117.951 -2.968 . . . . 0.0 108.346 166.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 55.1 m -134.62 144.44 47.88 Favored 'General case' 0 CA--C 1.574 1.887 1 C-N-CA 132.635 4.374 . . . . 0.0 110.27 -175.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -145.49 134.97 23.19 Favored 'General case' 0 CA--C 1.61 3.279 0 C-N-CA 128.454 2.701 . . . . 0.0 104.401 -177.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 76.1 mt -119.23 133.74 55.59 Favored 'General case' 0 N--CA 1.532 3.638 0 CA-C-N 113.223 -1.808 . . . . 0.0 112.189 -162.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -89.56 85.58 6.53 Favored 'General case' 0 N--CA 1.508 2.462 0 N-CA-C 116.818 2.155 . . . . 0.0 116.818 -172.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.9 t -160.8 172.13 17.57 Favored 'General case' 0 N--CA 1.513 2.678 0 N-CA-C 104.837 -2.283 . . . . 0.0 104.837 -165.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.2 p -108.13 171.4 7.43 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 118.477 -2.639 . . . . 0.0 113.47 175.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -74.5 -39.07 62.66 Favored 'General case' 0 C--O 1.187 -2.23 0 CA-C-N 120.493 1.497 . . . . 0.0 109.79 -173.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.75 -7.85 1.13 Allowed 'General case' 0 C--N 1.357 0.933 0 N-CA-C 117.708 2.484 . . . . 0.0 117.708 169.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -95.69 -51.1 4.65 Favored 'General case' 0 C--O 1.201 -1.466 0 C-N-CA 128.549 2.739 . . . . 0.0 110.586 177.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . 0.38 1.4 t -58.66 -25.74 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.063 0 CA-C-O 124.075 1.893 . . . . 0.0 112.064 171.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 50.6 t -69.72 -47.97 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 O-C-N 117.672 -3.143 . . . . 0.0 112.517 175.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -63.12 -11.8 22.84 Favored 'General case' 0 CA--C 1.491 -1.311 0 CA-C-O 116.103 -1.903 . . . . 0.0 108.865 174.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 t -86.01 -29.88 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-N 121.848 2.113 . . . . 0.0 113.83 169.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 88.7 m -68.11 -29.53 68.48 Favored 'General case' 0 C--N 1.371 1.503 0 C-N-CA 114.882 -2.727 . . . . 0.0 109.93 164.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -76.71 -5.2 83.19 Favored Glycine 0 C--N 1.359 1.858 0 C-N-CA 128.472 2.939 . . . . 0.0 114.148 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -76.85 172.51 13.01 Favored 'General case' 0 N--CA 1.421 -1.879 0 C-N-CA 130.536 3.534 . . . . 0.0 114.546 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -55.5 146.15 20.97 Favored 'General case' 0 CA--C 1.566 1.563 0 CA-C-N 120.413 1.46 . . . . 0.0 111.15 175.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.8 m -92.09 126.4 37.15 Favored 'General case' 0 N--CA 1.517 2.901 0 O-C-N 126.578 2.424 . . . . 0.0 110.49 -174.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.433 HG13 ' SG ' ' A' ' 71' ' ' CYS . 29.7 pt -117.97 -174.26 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.252 1.186 0 CA-C-N 119.554 1.07 . . . . 0.0 110.976 169.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 -122.98 146.55 47.52 Favored 'General case' 0 N--CA 1.509 2.509 0 C-N-CA 127.83 2.452 . . . . 0.0 111.173 166.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 72.4 m -129.72 177.98 1.92 Allowed Pre-proline 0 CA--C 1.567 1.616 0 CA-C-N 110.382 -3.099 . . . . 0.0 110.012 -169.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . 0.269 54.0 Cg_endo -85.25 -7.87 8.91 Favored 'Trans proline' 0 CA--C 1.488 -1.814 0 C-N-CA 123.657 2.905 . . . . 0.0 116.934 -164.391 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . 0.339 2.2 m80 -140.21 31.38 1.95 Allowed 'General case' 0 CA--C 1.496 -1.108 0 C-N-CA 129.587 3.155 . . . . 0.0 113.032 -171.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -127.47 1.49 6.26 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 126.495 2.372 . . . . 0.0 112.26 -158.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -59.98 -32.33 70.74 Favored 'General case' 0 N--CA 1.519 3.011 0 CA-C-O 126.521 3.058 . . . . 0.0 114.46 -177.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . 0.374 63.8 p -56.0 -11.38 1.05 Allowed 'General case' 0 N--CA 1.514 2.738 0 O-C-N 118.047 -2.908 . . . . 0.0 113.023 169.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -148.33 -5.75 0.43 Allowed 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 122.527 2.421 . . . . 0.0 116.629 168.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.2 t30 55.62 28.05 11.41 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 116.899 2.185 . . . . 0.0 116.899 -176.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -153.06 115.74 4.5 Favored 'General case' 0 CA--C 1.591 2.549 0 O-C-N 117.458 -3.276 . . . . 0.0 105.568 -165.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.433 ' SG ' HG13 ' A' ' 60' ' ' ILE . 6.8 p -137.91 169.93 16.93 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 110.808 -2.905 . . . . 0.0 112.913 169.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -139.58 156.19 47.02 Favored 'General case' 0 C--N 1.373 1.592 0 O-C-N 120.848 -1.157 . . . . 0.0 108.195 -176.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -118.61 172.1 7.73 Favored 'General case' 0 C--O 1.272 2.237 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 172.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 85.2 p -65.21 162.17 17.76 Favored 'General case' 0 C--O 1.244 0.811 0 C-N-CA 128.839 2.856 . . . . 0.0 111.288 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -97.93 -9.13 26.75 Favored 'General case' 0 C--O 1.169 -3.162 0 C-N-CA 126.881 2.072 . . . . 0.0 107.74 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -163.87 176.49 9.42 Favored 'General case' 0 N--CA 1.439 -0.995 0 O-C-N 116.571 -3.831 . . . . 0.0 111.201 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 -82.76 163.18 21.43 Favored 'General case' 0 C--N 1.389 2.302 0 CA-C-O 121.482 0.658 . . . . 0.0 109.366 166.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.4 m -141.42 151.86 62.17 Favored Pre-proline 0 C--O 1.197 -1.702 0 C-N-CA 126.324 1.849 . . . . 0.0 109.946 168.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -64.98 155.08 70.15 Favored 'Trans proline' 0 CA--C 1.56 1.785 0 C-N-CA 121.714 1.609 . . . . 0.0 112.457 160.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.6 pp -155.41 177.47 11.32 Favored 'General case' 0 N--CA 1.421 -1.896 0 O-C-N 118.576 -2.578 . . . . 0.0 114.24 -172.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.2 tp -128.77 109.82 11.63 Favored 'General case' 0 CA--C 1.59 2.491 0 CA-C-N 120.603 1.547 . . . . 0.0 108.215 176.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -84.02 161.05 20.86 Favored 'General case' 0 N--CA 1.424 -1.727 0 CA-C-O 116.464 -1.732 . . . . 0.0 112.687 161.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 68.7 m -153.16 149.55 28.14 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 126.502 2.377 . . . . 0.0 115.467 -174.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -150.52 109.57 3.91 Favored 'General case' 0 C--O 1.257 1.452 0 O-C-N 126.145 2.153 . . . . 0.0 112.25 -145.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.1 tp -68.8 96.15 0.73 Allowed 'General case' 0 C--O 1.199 -1.593 0 O-C-N 126.176 2.172 . . . . 0.0 111.138 169.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.306 0.8 OUTLIER -57.25 -9.4 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.531 3.586 0 N-CA-C 117.126 2.269 . . . . 0.0 117.126 -174.273 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -138.75 86.13 16.08 Favored Pre-proline 0 CA--C 1.563 1.475 0 O-C-N 116.442 -3.911 . . . . 0.0 110.105 169.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -48.66 -25.78 8.46 Favored 'Trans proline' 0 CA--C 1.58 2.797 1 C-N-CA 126.849 5.032 . . . . 0.0 116.001 -168.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -70.17 -19.81 76.02 Favored Glycine 0 C--N 1.356 1.665 0 C-N-CA 127.036 2.255 . . . . 0.0 113.336 178.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.3 147.09 46.71 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 119.414 -2.227 . . . . 0.0 115.774 168.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -148.83 -17.66 0.31 Allowed 'General case' 0 C--N 1.384 2.086 0 C-N-CA 128.191 2.596 . . . . 0.0 114.62 -170.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -103.27 141.84 35.22 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 104.853 -2.277 . . . . 0.0 104.853 176.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 19.8 pt -65.02 -5.39 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.604 3.048 0 N-CA-C 117.365 2.357 . . . . 0.0 117.365 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.0 m -83.83 0.85 45.81 Favored 'General case' 0 C--O 1.265 1.905 0 CA-C-O 123.539 1.638 . . . . 0.0 110.163 176.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -152.45 -9.67 0.19 Allowed 'General case' 0 N--CA 1.516 2.854 0 O-C-N 119.436 -2.04 . . . . 0.0 113.861 -170.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 3.4 m -71.88 149.7 44.93 Favored 'General case' 0 N--CA 1.498 1.956 0 CA-C-N 120.117 1.326 . . . . 0.0 109.184 162.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -164.32 145.94 8.56 Favored 'General case' 0 CA--C 1.563 1.459 0 C-N-CA 130.227 3.411 . . . . 0.0 110.066 -169.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -136.72 169.48 17.66 Favored 'General case' 0 C--N 1.315 -0.919 0 O-C-N 128.673 3.733 . . . . 0.0 114.423 -165.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.57 134.06 6.82 Favored 'General case' 0 CA--C 1.486 -1.498 0 CA-C-N 113.614 -1.63 . . . . 0.0 111.878 -169.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -77.68 128.39 34.01 Favored 'General case' 0 C--N 1.271 -2.805 0 O-C-N 116.552 -3.842 . . . . 0.0 111.599 -164.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . 0.331 2.7 mpt_? -119.87 67.71 11.63 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 124.275 0.985 . . . . 0.0 110.45 174.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -54.96 139.91 79.37 Favored 'Trans proline' 0 N--CA 1.514 2.68 0 O-C-N 116.507 -2.417 . . . . 0.0 113.667 173.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -141.62 -168.96 11.76 Favored Glycine 0 CA--C 1.57 3.525 0 N-CA-C 115.202 0.841 . . . . 0.0 115.202 173.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 45.7 ttt180 -148.53 113.11 5.34 Favored 'General case' 0 CA--C 1.499 -1.012 0 C-N-CA 130.639 3.576 . . . . 0.0 109.661 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 90.7 mtm-85 -158.55 166.36 32.3 Favored 'General case' 0 C--O 1.267 1.977 0 O-C-N 124.703 1.252 . . . . 0.0 107.666 -172.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -81.46 167.78 19.01 Favored 'General case' 0 C--O 1.163 -3.498 0 CA-C-O 116.734 -1.603 . . . . 0.0 110.837 163.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -137.31 159.0 43.19 Favored 'General case' 0 CA--C 1.567 1.634 0 C-N-CA 128.761 2.824 . . . . 0.0 114.672 -176.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 42.0 t -141.76 119.42 8.29 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.375 0 O-C-N 128.271 3.482 . . . . 0.0 109.591 -170.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.0 m -148.32 -178.37 0.56 Allowed 'Isoleucine or valine' 0 C--O 1.171 -3.036 0 O-C-N 117.136 -3.477 . . . . 0.0 109.576 -154.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -155.1 153.71 31.28 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 127.906 2.482 . . . . 0.0 113.4 -172.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 99.1 m -133.48 165.56 24.6 Favored 'General case' 0 N--CA 1.405 -2.722 0 C-N-CA 126.21 1.804 . . . . 0.0 113.491 -157.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -146.25 168.51 20.88 Favored 'General case' 0 C--O 1.281 2.731 0 C-N-CA 127.787 2.435 . . . . 0.0 113.077 175.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -66.55 159.1 28.11 Favored 'General case' 0 C--O 1.208 -1.088 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -48.25 153.21 0.74 Allowed 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 126.558 3.075 . . . . 0.0 116.114 172.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -72.43 142.66 84.47 Favored Pre-proline 0 CA--C 1.554 1.109 0 CA-C-N 113.257 -1.792 . . . . 0.0 112.945 170.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_exo -61.44 -9.57 13.59 Favored 'Trans proline' 0 N--CA 1.506 2.221 1 C-N-CA 125.37 4.047 . . . . 0.0 115.144 -175.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -143.32 -26.96 0.57 Allowed 'General case' 0 C--N 1.399 2.742 0 C-N-CA 126.993 2.117 . . . . 0.0 114.438 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -103.25 146.84 27.83 Favored 'General case' 0 N--CA 1.525 3.314 0 CA-C-N 120.389 1.45 . . . . 0.0 111.501 -163.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.8 m 50.62 57.88 17.29 Favored Pre-proline 0 CA--C 1.549 0.918 0 N-CA-C 119.023 2.971 . . . . 0.0 119.023 -178.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -53.51 -17.54 9.65 Favored 'Trans proline' 0 C--N 1.29 -2.521 0 C-N-CA 124.224 3.283 . . . . 0.0 118.191 176.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -47.25 -23.91 0.63 Allowed 'General case' 0 N--CA 1.423 -1.803 0 C-N-CA 124.896 1.278 . . . . 0.0 113.343 171.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . 0.312 62.7 m-85 -138.9 139.53 24.07 Favored Pre-proline 0 CA--C 1.572 1.798 0 CA-C-N 121.405 1.911 . . . . 0.0 112.18 -159.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -80.26 -28.37 3.05 Favored 'Trans proline' 0 CA--C 1.565 2.034 0 C-N-CA 124.273 3.315 . . . . 0.0 113.273 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.6 m -132.19 159.17 43.29 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.075 0 C-N-CA 126.917 2.087 . . . . 0.0 108.657 -174.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 28.2 m -143.26 142.73 22.13 Favored Pre-proline 0 CA--C 1.564 1.513 0 O-C-N 126.364 2.29 . . . . 0.0 105.884 -173.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -73.19 145.85 39.77 Favored 'Trans proline' 0 CA--C 1.574 2.49 0 CA-C-N 122.33 1.868 . . . . 0.0 113.42 165.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.3 m -139.58 -20.16 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.511 2.59 0 O-C-N 119.934 -1.729 . . . . 0.0 111.884 -170.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . 0.406 ' CD2' ' H ' ' A' ' 129' ' ' LEU . 4.0 t60 -148.81 169.91 19.41 Favored 'General case' 0 C--O 1.181 -2.537 1 O-C-N 115.38 -4.575 . . . . 0.0 110.865 179.668 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.406 ' H ' ' CD2' ' A' ' 128' ' ' HIS . 14.3 tp -145.77 124.62 12.67 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 115.393 -2.242 . . . . 0.0 110.919 -174.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -101.94 -35.02 9.14 Favored 'General case' 0 C--N 1.409 3.171 0 CA-C-N 121.742 2.065 . . . . 0.0 111.678 -171.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 12.2 t -167.24 168.34 13.45 Favored 'General case' 0 C--O 1.256 1.397 0 N-CA-C 115.762 1.764 . . . . 0.0 115.762 -171.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 51.5 p -141.44 152.72 44.5 Favored 'General case' 0 N--CA 1.512 2.655 0 C-N-CA 126.652 1.981 . . . . 0.0 110.917 159.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.355 0.814 0 C-N-CA 128.792 2.837 . . . . 0.0 108.36 -163.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo . . . . . 0 N--CA 1.502 1.981 0 N-CA-C 108.957 -1.209 . . . . 0.0 108.957 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -63.9 -18.36 63.55 Favored 'Trans proline' 0 CA--C 1.572 2.389 1 C-N-CA 127.368 5.379 . . . . 0.0 114.283 -171.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.308 10.9 pt20 -143.38 9.71 1.64 Allowed 'General case' 0 C--O 1.257 1.452 0 C-N-CA 126.272 1.829 . . . . 0.0 114.966 -168.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -144.77 168.19 20.8 Favored 'General case' 0 N--CA 1.52 3.072 0 C-N-CA 127.777 2.431 . . . . 0.0 113.162 -171.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.62 164.76 18.43 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 120.247 1.385 . . . . 0.0 112.297 150.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.262 7.2 tpt180 -55.23 -51.91 65.08 Favored 'General case' 0 N--CA 1.535 3.787 0 O-C-N 119.747 -1.845 . . . . 0.0 108.388 165.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.29 -26.58 47.11 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 115.698 -2.401 . . . . 0.0 111.809 -166.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -57.43 -46.08 83.95 Favored 'General case' 0 N--CA 1.515 2.791 0 C-N-CA 124.389 1.076 . . . . 0.0 108.745 167.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 38.0 t-105 -74.72 -32.31 62.11 Favored 'General case' 0 C--O 1.205 -1.255 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -171.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -53.12 -48.79 67.59 Favored 'General case' 0 C--N 1.372 1.554 0 N-CA-C 120.067 3.358 . . . . 0.0 120.067 161.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.92 -36.07 75.06 Favored 'General case' 0 N--CA 1.504 2.227 0 CA-C-O 124.153 1.93 . . . . 0.0 113.817 -175.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.4 mt -53.8 -30.54 19.23 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.726 0 N-CA-C 117.351 2.352 . . . . 0.0 117.351 163.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -102.91 -18.55 15.0 Favored 'General case' 0 CA--C 1.592 2.574 0 CA-C-O 114.31 -2.757 . . . . 0.0 107.583 -175.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -145.27 6.12 1.12 Allowed 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 114.135 -2.84 . . . . 0.0 114.691 -167.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.3 mm -143.89 115.66 2.64 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.974 1 CA-C-N 126.843 4.383 . . . . 0.0 110.04 -175.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . 0.277 4.4 t -154.08 108.07 2.99 Favored 'General case' 0 C--O 1.259 1.604 0 N-CA-C 116.031 1.863 . . . . 0.0 116.031 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.6 tp -61.21 -60.08 4.32 Favored 'General case' 0 C--N 1.4 2.762 1 O-C-N 131.353 5.408 . . . . 0.0 113.009 -174.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -117.86 81.25 15.28 Favored Pre-proline 0 N--CA 1.522 3.15 0 CA-C-O 123.569 1.652 . . . . 0.0 107.137 173.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -79.6 155.41 24.29 Favored 'Trans proline' 0 CA--C 1.552 1.392 1 C-N-CA 130.437 7.425 . . . . 0.0 110.129 -164.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -85.53 174.17 6.99 Favored 'Trans proline' 0 C--O 1.256 1.411 1 C-N-CA 125.329 4.019 . . . . 0.0 112.433 169.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.0 mmt-85 -58.15 153.22 15.34 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 121.84 0.829 . . . . 0.0 112.16 178.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.1 m -64.53 -19.95 65.92 Favored 'General case' 0 CA--C 1.487 -1.454 0 CA-C-N 114.441 -1.254 . . . . 0.0 113.971 -172.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.7 p -58.5 -38.83 78.47 Favored 'General case' 0 C--N 1.31 -1.13 0 C-N-CA 125.252 1.421 . . . . 0.0 113.373 164.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.4 mm -88.25 -34.01 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 124.493 1.117 . . . . 0.0 109.297 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.65 -49.21 74.1 Favored 'General case' 0 C--N 1.378 1.826 0 O-C-N 118.733 -2.479 . . . . 0.0 107.113 -174.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 87.7 mmm -70.02 -21.93 63.16 Favored 'General case' 0 C--O 1.29 3.233 0 C-N-CA 125.892 1.677 . . . . 0.0 109.694 -165.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -57.24 -32.68 66.79 Favored 'General case' 0 N--CA 1.524 3.253 0 CA-C-O 112.516 -3.611 . . . . 0.0 112.983 170.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.22 -31.69 0.14 Allowed 'General case' 0 CA--C 1.491 -1.289 0 CA-C-N 123.725 2.966 . . . . 0.0 117.812 168.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.5 pt -121.73 -49.03 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.611 3.3 0 O-C-N 124.459 1.099 . . . . 0.0 110.04 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -71.47 -17.75 62.34 Favored 'General case' 0 C--N 1.389 2.306 0 O-C-N 119.315 -2.116 . . . . 0.0 114.829 -172.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.289 2.0 m-20 -97.41 19.33 13.46 Favored 'General case' 0 C--N 1.277 -2.57 0 O-C-N 124.695 1.247 . . . . 0.0 111.847 167.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -142.37 -5.21 0.97 Allowed 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 124.316 1.047 . . . . 0.0 113.279 -172.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -136.11 160.31 39.04 Favored 'General case' 0 CA--C 1.573 1.864 0 O-C-N 117.223 -3.423 . . . . 0.0 112.671 -177.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -60.61 -24.32 65.41 Favored 'General case' 0 C--O 1.174 -2.88 0 N-CA-C 120.122 3.378 . . . . 0.0 120.122 -170.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -143.88 159.34 42.71 Favored 'General case' 0 CA--C 1.603 3.005 0 O-C-N 127.135 2.772 . . . . 0.0 111.75 172.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.1 m -60.48 104.56 0.34 Allowed 'General case' 0 CA--C 1.583 2.24 0 O-C-N 128.947 3.905 . . . . 0.0 114.809 169.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -52.49 126.0 18.05 Favored 'General case' 0 C--N 1.289 -2.028 0 CA-C-O 117.226 -1.369 . . . . 0.0 110.287 156.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -52.28 -49.39 64.23 Favored 'General case' 0 C--O 1.266 1.933 0 C-N-CA 128.895 2.878 . . . . 0.0 115.281 -178.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -149.11 158.29 44.07 Favored 'General case' 0 CA--C 1.587 2.404 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 -163.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -157.14 148.86 22.39 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 127.115 2.166 . . . . 0.0 113.879 173.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 46.6 m -113.07 146.54 38.97 Favored 'General case' 0 C--N 1.29 -2.018 0 C-N-CA 126.832 2.053 . . . . 0.0 114.102 170.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -138.47 138.4 38.07 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 127.265 2.853 . . . . 0.0 111.113 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.0 mt -113.77 132.26 55.91 Favored 'General case' 0 N--CA 1.436 -1.134 0 O-C-N 120.035 -1.666 . . . . 0.0 109.053 -168.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -90.17 60.56 4.84 Favored 'General case' 0 N--CA 1.518 2.951 0 C-N-CA 124.832 1.253 . . . . 0.0 113.128 -177.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.3 t -139.94 -157.5 0.77 Allowed 'General case' 0 N--CA 1.502 2.14 0 C-N-CA 125.544 1.538 . . . . 0.0 109.615 -162.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.0 p -135.52 150.45 49.76 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 120.784 1.629 . . . . 0.0 111.543 175.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -49.17 -45.91 44.68 Favored 'General case' 0 CA--C 1.576 1.964 0 CA-C-N 113.222 -1.808 . . . . 0.0 112.16 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.28 -45.53 34.78 Favored 'General case' 0 N--CA 1.508 2.458 0 N-CA-C 117.862 2.541 . . . . 0.0 117.862 176.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -62.71 -47.83 81.9 Favored 'General case' 0 N--CA 1.423 -1.794 0 C-N-CA 125.219 1.408 . . . . 0.0 112.9 171.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.1 t -57.1 -34.68 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 CA-C-O 117.554 -1.213 . . . . 0.0 113.875 174.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.7 t -76.31 -34.34 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.764 0 CA-C-N 123.3 2.773 . . . . 0.0 107.307 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -65.95 -30.92 71.57 Favored 'General case' 0 C--O 1.259 1.555 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 177.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 70.0 t -72.65 -36.14 52.46 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.353 0 C-N-CA 128.17 2.588 . . . . 0.0 110.722 170.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.4 m -47.06 -26.12 0.99 Allowed 'General case' 0 N--CA 1.496 1.866 2 O-C-N 113.578 -5.701 . . . . 0.0 113.595 158.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -99.08 10.48 61.89 Favored Glycine 1 CA--C 1.592 4.87 0 O-C-N 123.751 0.657 . . . . 0.0 112.483 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -90.06 170.71 10.11 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 124.222 1.963 . . . . 0.0 115.486 167.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . 0.283 16.1 mt-30 -31.09 124.36 0.21 Allowed 'General case' 0 C--N 1.302 -1.495 0 O-C-N 119.38 -2.075 . . . . 0.0 112.963 177.271 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.2 m -92.09 120.46 32.72 Favored 'General case' 0 N--CA 1.506 2.342 0 CA-C-O 112.724 -3.512 . . . . 0.0 111.727 -174.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.8 pt -134.24 166.46 28.7 Favored 'Isoleucine or valine' 0 C--O 1.281 2.755 0 CA-C-N 122.003 2.183 . . . . 0.0 109.822 -168.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.6 ptt85 -87.26 160.68 18.35 Favored 'General case' 0 CA--C 1.586 2.361 0 CA-C-N 121.552 1.978 . . . . 0.0 112.895 162.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.7 m -132.77 150.73 76.54 Favored Pre-proline 0 C--O 1.253 1.266 0 O-C-N 125.212 1.57 . . . . 0.0 113.268 174.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -47.06 -20.69 1.31 Allowed 'Trans proline' 0 CA--C 1.555 1.549 1 C-N-CA 125.983 4.456 . . . . 0.0 117.195 -176.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -133.57 68.1 1.5 Allowed 'General case' 1 N--CA 1.551 4.592 0 CA-C-N 121.58 1.991 . . . . 0.0 110.777 172.853 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -146.1 -7.0 0.56 Allowed 'General case' 0 C--O 1.28 2.676 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 -160.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -60.22 -3.18 0.56 Allowed 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 120.228 3.418 . . . . 0.0 120.228 -169.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.0 p -63.84 -46.03 86.89 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-N 121.541 1.973 . . . . 0.0 112.095 167.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.3 1.7 pt? -122.75 -9.01 8.4 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 118.455 2.761 . . . . 0.0 118.455 -173.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.9 t30 48.65 33.14 3.95 Favored 'General case' 0 CA--C 1.613 3.378 0 C-N-CA 128.876 2.87 . . . . 0.0 112.917 171.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -146.81 111.08 5.12 Favored 'General case' 0 C--O 1.267 2.001 0 CA-C-N 111.763 -2.471 . . . . 0.0 106.677 -171.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.4 p -134.94 172.34 13.13 Favored 'General case' 0 C--O 1.18 -2.564 0 CA-C-N 112.248 -2.251 . . . . 0.0 109.303 171.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -146.57 152.59 39.18 Favored 'General case' 0 CA--C 1.568 1.665 0 C-N-CA 128.718 2.807 . . . . 0.0 110.29 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 46.8 ptt85 -122.83 154.95 37.57 Favored 'General case' 0 C--N 1.378 1.845 0 O-C-N 126.118 2.136 . . . . 0.0 114.755 169.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.1 p -72.81 129.92 39.29 Favored 'General case' 0 C--N 1.366 1.315 0 O-C-N 118.162 -2.836 . . . . 0.0 111.73 -166.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.1 mtt-85 -47.61 -20.11 0.24 Allowed 'General case' 0 N--CA 1.509 2.486 0 N-CA-C 117.498 2.407 . . . . 0.0 117.498 173.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -158.84 150.91 21.2 Favored 'General case' 0 C--N 1.383 2.028 0 O-C-N 126.528 2.393 . . . . 0.0 105.116 -171.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -60.26 158.99 10.56 Favored 'General case' 0 C--N 1.382 2.019 0 CA-C-N 113.341 -1.754 . . . . 0.0 111.878 171.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.8 m -140.34 156.27 69.81 Favored Pre-proline 0 N--CA 1.436 -1.165 0 C-N-CA 129.524 3.13 . . . . 0.0 108.233 175.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -73.01 155.1 52.96 Favored 'Trans proline' 0 C--O 1.277 2.444 0 C-N-CA 117.15 -1.433 . . . . 0.0 112.125 172.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 pp -156.49 174.09 15.94 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-O 117.834 -1.079 . . . . 0.0 109.161 -176.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . 0.25 58.9 tp -143.25 138.14 29.4 Favored 'General case' 0 CA--C 1.482 -1.657 1 C-N-CA 131.711 4.005 . . . . 0.0 110.427 -178.83 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -127.57 141.64 51.59 Favored 'General case' 0 N--CA 1.418 -2.057 0 C-N-CA 127.169 2.187 . . . . 0.0 114.042 176.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 76.5 m -119.03 155.13 31.97 Favored 'General case' 0 C--O 1.201 -1.479 0 CA-C-O 126.452 3.025 . . . . 0.0 112.237 -175.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -148.22 116.62 6.56 Favored 'General case' 0 C--N 1.297 -1.676 1 O-C-N 115.668 -4.395 . . . . 0.0 114.158 -166.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 27.1 tp -63.39 86.88 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 128.06 2.544 . . . . 0.0 111.276 176.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.6 pt -48.78 -22.8 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.577 2.001 0 O-C-N 117.351 -3.343 . . . . 0.0 116.68 -169.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -137.55 109.44 8.7 Favored Pre-proline 0 C--O 1.169 -3.134 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 157.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -60.22 -2.64 1.9 Allowed 'Trans proline' 0 CA--C 1.582 2.886 0 C-N-CA 124.683 3.589 . . . . 0.0 116.279 168.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.31 -19.64 66.6 Favored Glycine 0 CA--C 1.558 2.776 0 N-CA-C 117.386 1.714 . . . . 0.0 117.386 167.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -81.93 153.35 26.34 Favored 'General case' 0 CA--C 1.591 2.53 0 N-CA-C 120.441 3.497 . . . . 0.0 120.441 163.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -138.11 -3.37 1.78 Allowed 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 124.46 1.104 . . . . 0.0 113.335 -176.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -138.87 148.89 44.24 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.289 1.836 . . . . 0.0 112.458 -173.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.5 pt -74.61 -3.93 5.17 Favored 'Isoleucine or valine' 0 CA--C 1.616 3.503 0 CA-C-N 111.566 -2.561 . . . . 0.0 113.89 -171.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . 0.265 1.7 m -75.76 -12.9 60.27 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 120.646 1.566 . . . . 0.0 113.372 159.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -137.52 -8.03 1.7 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 116.655 -3.778 . . . . 0.0 119.897 175.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 99.2 m -65.93 145.05 56.37 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.366 -0.834 . . . . 0.0 108.756 174.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -149.38 152.47 35.82 Favored 'General case' 0 N--CA 1.518 2.94 0 C-N-CA 126.662 1.985 . . . . 0.0 111.016 -177.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -147.05 153.58 40.16 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 118.721 -2.487 . . . . 0.0 113.242 -172.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.59 164.99 25.43 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 122.147 0.975 . . . . 0.0 109.941 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -107.47 124.91 50.58 Favored 'General case' 0 CA--C 1.493 -1.229 0 C-N-CA 127.79 2.436 . . . . 0.0 113.596 -156.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.73 82.03 64.47 Favored Pre-proline 0 CA--C 1.556 1.181 0 O-C-N 118.541 -2.599 . . . . 0.0 107.577 -176.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -45.94 169.63 0.04 OUTLIER 'Trans proline' 0 C--N 1.408 3.71 0 CA-C-O 126.041 2.434 . . . . 0.0 113.946 164.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 174.92 177.31 43.93 Favored Glycine 0 CA--C 1.467 -2.964 0 CA-C-N 110.42 -3.082 . . . . 0.0 107.63 173.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -159.29 103.03 1.61 Allowed 'General case' 0 C--O 1.263 1.804 0 C-N-CA 130.127 3.371 . . . . 0.0 111.535 -173.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 43.4 mtm-85 -150.02 172.14 15.72 Favored 'General case' 0 CA--C 1.571 1.776 0 C-N-CA 129.619 3.168 . . . . 0.0 112.356 -161.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -71.78 175.94 5.32 Favored 'General case' 0 CA--C 1.593 2.603 0 CA-C-N 122.344 2.338 . . . . 0.0 108.853 159.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -135.05 158.02 45.42 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 112.887 -1.96 . . . . 0.0 111.886 168.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.0 t -129.65 113.24 26.68 Favored 'Isoleucine or valine' 0 C--O 1.253 1.254 0 CA-C-N 118.603 0.638 . . . . 0.0 111.031 -174.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 16.8 m -134.02 164.4 34.62 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 O-C-N 120.283 -1.511 . . . . 0.0 114.988 -160.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -112.33 151.94 29.14 Favored 'General case' 0 C--O 1.246 0.898 0 C-N-CA 125.237 1.415 . . . . 0.0 112.32 173.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 63.5 m -137.23 157.68 46.12 Favored 'General case' 0 N--CA 1.512 2.655 0 C-N-CA 128.323 2.649 . . . . 0.0 110.425 -172.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -152.4 171.59 17.8 Favored 'General case' 0 CA--C 1.59 2.481 0 C-N-CA 128.144 2.578 . . . . 0.0 108.816 -165.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -61.65 145.75 51.25 Favored 'General case' 0 N--CA 1.405 -2.687 0 O-C-N 128.236 3.46 . . . . 0.0 108.136 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -57.28 145.38 32.17 Favored 'General case' 0 N--CA 1.532 3.629 0 C-N-CA 128.621 2.768 . . . . 0.0 112.511 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.56 148.85 85.68 Favored Pre-proline 0 C--N 1.359 1.001 0 CA-C-O 124.144 1.926 . . . . 0.0 109.841 166.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -51.8 -25.26 20.53 Favored 'Trans proline' 0 C--N 1.403 3.426 0 C-N-CA 124.945 3.763 . . . . 0.0 115.533 172.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 53.3 mtt85 -147.81 -27.8 0.35 Allowed 'General case' 0 C--O 1.204 -1.313 0 CA-C-O 114.812 -2.518 . . . . 0.0 109.828 -164.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -83.01 144.8 29.71 Favored 'General case' 0 CA--C 1.564 1.485 0 CA-C-N 123.531 2.878 . . . . 0.0 117.481 173.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 42.6 m 48.91 57.89 18.13 Favored Pre-proline 0 C--N 1.306 -1.309 0 C-N-CA 131.441 3.897 . . . . 0.0 114.91 169.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -53.59 -11.52 2.2 Favored 'Trans proline' 0 C--N 1.394 2.945 0 N-CA-C 118.369 2.411 . . . . 0.0 118.369 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -53.69 -21.68 7.5 Favored 'General case' 0 C--O 1.256 1.432 0 O-C-N 117.573 -3.205 . . . . 0.0 110.991 176.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -127.66 133.36 25.01 Favored Pre-proline 1 N--CA 1.543 4.177 0 C-N-CA 125.933 1.693 . . . . 0.0 114.558 -166.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -69.45 -33.67 17.26 Favored 'Trans proline' 0 C--N 1.373 1.84 0 C-N-CA 124.056 3.171 . . . . 0.0 115.294 173.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 31.6 m -147.17 152.4 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 C-N-CA 128.032 2.533 . . . . 0.0 104.236 -170.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 18.8 m -132.69 138.38 31.87 Favored Pre-proline 0 CA--C 1.586 2.337 0 C-N-CA 128.157 2.583 . . . . 0.0 109.729 -171.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -60.71 148.73 90.75 Favored 'Trans proline' 0 C--O 1.257 1.451 1 C-N-CA 127.897 5.731 . . . . 0.0 106.483 166.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 34.3 m -148.42 -4.59 0.1 Allowed 'Isoleucine or valine' 1 N--CA 1.546 4.336 0 CA-C-O 115.927 -1.987 . . . . 0.0 113.213 -173.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -163.02 157.97 21.55 Favored 'General case' 0 C--O 1.283 2.833 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 52.1 tp -129.09 147.42 50.95 Favored 'General case' 0 N--CA 1.518 2.944 0 N-CA-C 105.214 -2.143 . . . . 0.0 105.214 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -123.35 -47.58 1.99 Allowed 'General case' 0 CA--C 1.594 2.655 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . 0.296 13.9 t -149.76 172.01 15.79 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-O 124.612 2.148 . . . . 0.0 107.182 176.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 70.3 p -142.79 140.1 31.23 Favored 'General case' 0 CA--C 1.577 2.009 0 N-CA-C 106.322 -1.732 . . . . 0.0 106.322 168.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.383 0.2 OUTLIER . . . . . 0 C--O 1.253 1.24 0 O-C-N 126.35 2.281 . . . . 0.0 113.548 -169.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo . . . . . 0 C--O 1.268 1.989 0 N-CA-C 110.315 -0.687 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -57.17 -24.85 61.05 Favored 'Trans proline' 0 CA--C 1.485 -1.927 0 N-CA-C 117.178 1.953 . . . . 0.0 117.178 -162.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -134.62 -1.15 2.82 Favored 'General case' 0 CA--C 1.61 3.281 0 N-CA-C 115.275 1.584 . . . . 0.0 115.275 -174.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -135.53 170.65 15.62 Favored 'General case' 0 CA--C 1.613 3.373 0 CA-C-N 120.811 1.641 . . . . 0.0 109.056 -173.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.7 p -77.4 163.81 26.05 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 126.152 2.158 . . . . 0.0 111.529 157.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -56.28 -43.66 79.05 Favored 'General case' 0 C--O 1.178 -2.679 0 O-C-N 127.107 2.754 . . . . 0.0 108.913 172.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.62 -38.25 77.15 Favored 'General case' 0 N--CA 1.5 2.047 1 O-C-N 129.753 4.408 . . . . 0.0 112.872 -178.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -62.29 -52.07 65.18 Favored 'General case' 0 C--N 1.37 1.466 0 CA-C-O 126.794 3.188 . . . . 0.0 111.032 170.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -55.42 -35.69 65.67 Favored 'General case' 0 C--O 1.265 1.887 0 O-C-N 117.318 -3.364 . . . . 0.0 117.342 176.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -51.43 -49.9 60.78 Favored 'General case' 0 C--N 1.272 -2.791 0 C-N-CA 128.028 2.531 . . . . 0.0 109.879 160.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.31 -33.36 67.31 Favored 'General case' 0 N--CA 1.518 2.939 0 CA-C-N 120.08 1.309 . . . . 0.0 112.196 -175.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.3 mt -79.37 -24.93 12.54 Favored 'Isoleucine or valine' 0 C--O 1.276 2.452 0 CA-C-O 112.489 -3.625 . . . . 0.0 108.943 173.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -80.55 -20.4 43.51 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 123.12 2.691 . . . . 0.0 112.119 172.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -149.58 -1.29 0.45 Allowed 'General case' 0 CA--C 1.604 3.025 1 N-CA-C 125.727 5.455 . . . . 0.0 125.727 -161.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.4 mm -120.11 133.98 65.09 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.967 0 C-N-CA 127.915 2.486 . . . . 0.0 106.259 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.2 t -150.66 179.24 8.35 Favored 'General case' 0 N--CA 1.522 3.165 0 CA-C-N 112.719 -2.037 . . . . 0.0 111.105 175.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.6 tp -145.8 -27.42 0.44 Allowed 'General case' 0 C--O 1.197 -1.667 0 O-C-N 117.435 -3.29 . . . . 0.0 112.56 166.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -127.56 58.13 29.5 Favored Pre-proline 0 N--CA 1.485 1.289 0 CA-C-O 114.704 -2.57 . . . . 0.0 111.367 171.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -67.16 156.23 67.2 Favored 'Trans proline' 0 CA--C 1.581 2.836 0 CA-C-N 125.766 3.095 . . . . 0.0 110.395 -163.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -70.47 178.04 5.43 Favored 'Trans proline' 0 C--N 1.369 1.618 0 CA-C-N 120.948 1.374 . . . . 0.0 115.57 169.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 60.0 mmt-85 -40.27 148.99 0.08 Allowed 'General case' 0 C--N 1.309 -1.162 0 CA-C-O 116.594 -1.67 . . . . 0.0 114.35 146.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 80.4 m -69.3 -16.38 63.54 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 127.234 2.214 . . . . 0.0 110.002 178.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.1 p -58.33 -29.75 66.17 Favored 'General case' 0 CA--C 1.566 1.562 1 C-N-CA 132.634 4.374 . . . . 0.0 109.02 169.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 32.5 mm -116.9 -41.67 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.656 0 C-N-CA 128.776 2.83 . . . . 0.0 108.919 -179.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.3 -23.5 5.9 Favored 'General case' 0 N--CA 1.52 3.057 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 88.6 mmm -87.03 -26.05 23.93 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 173.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -59.93 -29.53 68.45 Favored 'General case' 0 CA--C 1.557 1.248 0 O-C-N 119.555 -1.965 . . . . 0.0 114.33 -176.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -42.38 -31.89 0.46 Allowed 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.767 2.027 . . . . 0.0 115.394 166.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.1 pt -114.84 -40.17 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.939 0 C-N-CA 125.302 1.441 . . . . 0.0 111.71 173.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -84.07 -14.52 50.27 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 116.753 -1.594 . . . . 0.0 112.327 -161.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -98.53 -11.3 22.37 Favored 'General case' 0 C--O 1.271 2.217 0 CA-C-O 125.283 2.468 . . . . 0.0 114.258 169.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -100.52 -6.42 25.47 Favored 'General case' 0 C--O 1.278 2.589 1 C-N-CA 132.313 4.245 . . . . 0.0 108.922 -168.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -140.39 162.5 35.16 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 128.173 3.421 . . . . 0.0 114.173 -170.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.8 p-90 -71.32 -27.09 63.15 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-O 113.747 -3.025 . . . . 0.0 115.203 -164.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -135.37 175.92 9.15 Favored 'General case' 0 C--O 1.267 2.014 0 CA-C-N 123.32 2.782 . . . . 0.0 111.276 163.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.2 m -78.43 119.46 21.78 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -67.99 149.14 50.1 Favored 'General case' 0 C--O 1.243 0.76 0 C-N-CA 127.07 2.148 . . . . 0.0 112.396 170.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 62.9 t-20 -75.88 -50.06 16.15 Favored 'General case' 0 CA--C 1.592 2.572 0 O-C-N 125.831 1.957 . . . . 0.0 113.659 -168.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -135.96 155.82 49.68 Favored 'General case' 0 N--CA 1.396 -3.135 0 O-C-N 120.146 -1.596 . . . . 0.0 112.468 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -146.73 173.8 12.04 Favored 'General case' 0 C--O 1.259 1.582 0 O-C-N 117.902 -2.999 . . . . 0.0 108.537 161.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.6 m -133.75 133.3 41.57 Favored 'General case' 0 N--CA 1.51 2.569 0 O-C-N 128.236 3.46 . . . . 0.0 113.455 171.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -122.3 97.42 5.46 Favored 'General case' 0 CA--C 1.577 1.983 1 C-N-CA 132.034 4.133 . . . . 0.0 110.424 178.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.6 mt -59.65 135.29 57.63 Favored 'General case' 0 C--O 1.25 1.124 0 C-N-CA 125.95 1.7 . . . . 0.0 113.147 170.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -93.55 75.38 4.41 Favored 'General case' 0 N--CA 1.517 2.887 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 170.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -149.98 171.65 16.49 Favored 'General case' 0 N--CA 1.512 2.633 0 C-N-CA 124.277 1.031 . . . . 0.0 110.679 171.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.4 p -78.84 145.78 34.06 Favored 'General case' 0 CA--C 1.487 -1.476 0 C-N-CA 125.655 1.582 . . . . 0.0 112.037 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . 0.259 48.2 t80 -57.42 -34.62 69.1 Favored 'General case' 0 CA--C 1.584 2.269 0 O-C-N 118.245 -2.784 . . . . 0.0 111.603 170.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.99 -32.12 72.56 Favored 'General case' 0 C--O 1.264 1.851 0 N-CA-C 118.148 2.647 . . . . 0.0 118.148 174.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -68.25 -53.56 23.78 Favored 'General case' 0 CA--C 1.601 2.904 0 O-C-N 119.559 -1.963 . . . . 0.0 112.822 168.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.7 t -53.53 -38.56 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 C-N-CA 124.587 1.155 . . . . 0.0 110.58 175.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.3 t -71.3 -37.7 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 CA-C-O 123.221 1.486 . . . . 0.0 113.202 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -59.4 -31.26 69.08 Favored 'General case' 0 CA--C 1.589 2.462 0 O-C-N 118.257 -2.777 . . . . 0.0 116.859 161.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.9 t -76.65 -19.37 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 CA-C-O 116.271 -1.823 . . . . 0.0 111.03 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 81.3 m -62.06 -15.12 42.43 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 163.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -108.39 18.02 33.36 Favored Glycine 0 C--N 1.371 2.509 0 O-C-N 119.725 -1.859 . . . . 0.0 112.859 175.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -79.36 171.41 15.21 Favored 'General case' 0 C--N 1.312 -1.046 0 O-C-N 118.597 -2.708 . . . . 0.0 108.365 172.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -30.59 127.15 0.15 Allowed 'General case' 0 C--N 1.385 2.146 0 O-C-N 117.252 -3.405 . . . . 0.0 112.199 170.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.0 m -93.61 72.37 4.31 Favored 'General case' 0 CA--C 1.602 2.97 0 CA-C-O 128.417 3.961 . . . . 0.0 107.318 -173.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 32.7 pt -72.68 -178.42 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 C-N-CA 129.293 3.037 . . . . 0.0 113.595 174.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.4 ptt85 -137.68 148.36 45.63 Favored 'General case' 0 N--CA 1.5 2.062 0 CA-C-O 117.093 -1.432 . . . . 0.0 113.278 -174.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . 0.257 81.8 m -136.18 165.78 33.05 Favored Pre-proline 0 C--N 1.282 -2.326 0 CA-C-N 119.268 0.94 . . . . 0.0 109.466 -169.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -63.47 -17.14 58.66 Favored 'Trans proline' 0 C--O 1.2 -1.392 0 N-CA-C 117.683 2.147 . . . . 0.0 117.683 -176.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -124.28 46.33 2.31 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.341 -1.474 . . . . 0.0 114.902 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -149.29 3.36 0.58 Allowed 'General case' 0 C--O 1.275 2.404 0 C-N-CA 128.398 2.679 . . . . 0.0 114.3 -162.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.5 ptt-85 -48.49 -27.14 2.51 Favored 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 116.644 2.09 . . . . 0.0 116.644 177.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.2 p -72.28 -21.33 61.37 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 117.197 -1.382 . . . . 0.0 111.968 -172.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -127.89 -22.77 3.47 Favored 'General case' 0 C--O 1.197 -1.674 0 N-CA-C 118.025 2.602 . . . . 0.0 118.025 163.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 43.2 t30 64.42 35.87 9.31 Favored 'General case' 0 C--O 1.207 -1.184 0 C-N-CA 126.27 1.828 . . . . 0.0 108.833 170.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -137.28 115.54 11.76 Favored 'General case' 0 N--CA 1.489 1.49 1 C-N-CA 131.994 4.118 . . . . 0.0 109.934 173.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 32.1 p -147.48 171.16 15.96 Favored 'General case' 0 N--CA 1.533 3.68 0 C-N-CA 131.471 3.908 . . . . 0.0 108.163 173.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -148.08 149.08 31.41 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 118.536 -2.602 . . . . 0.0 108.533 -174.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -111.92 169.71 8.65 Favored 'General case' 0 CA--C 1.571 1.777 0 O-C-N 119.835 -1.791 . . . . 0.0 111.421 159.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.4 p -71.97 174.94 6.33 Favored 'General case' 0 C--N 1.377 1.776 0 O-C-N 127.74 3.15 . . . . 0.0 107.202 -162.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -97.03 -35.39 10.85 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 127.775 2.43 . . . . 0.0 115.968 170.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -148.2 153.18 38.43 Favored 'General case' 0 CA--C 1.611 3.304 0 C-N-CA 127.237 2.215 . . . . 0.0 105.241 -169.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 31.0 mtm180 -78.57 150.4 32.81 Favored 'General case' 0 C--N 1.38 1.903 0 CA-C-O 123.842 1.782 . . . . 0.0 114.178 173.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.1 m -130.6 158.54 74.39 Favored Pre-proline 0 N--CA 1.51 2.527 0 CA-C-N 110.052 -3.249 . . . . 0.0 110.226 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.61 159.68 45.49 Favored 'Trans proline' 0 C--O 1.269 2.067 0 O-C-N 124.506 1.793 . . . . 0.0 110.95 171.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 pp -156.4 170.03 23.24 Favored 'General case' 0 C--N 1.279 -2.474 0 O-C-N 119.629 -1.919 . . . . 0.0 110.754 177.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.0 tp -114.03 126.45 55.14 Favored 'General case' 0 C--O 1.265 1.879 0 N-CA-C 118.041 2.608 . . . . 0.0 118.041 161.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -105.24 145.34 30.79 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 127.1 2.16 . . . . 0.0 111.42 165.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 95.8 m -134.92 150.07 50.35 Favored 'General case' 0 C--N 1.368 1.393 0 CA-C-O 116.425 -1.75 . . . . 0.0 113.064 -173.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -152.48 100.87 2.61 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 124.618 3.372 . . . . 0.0 108.37 -143.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.3 tp -64.2 126.29 27.26 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 116.978 -1.487 . . . . 0.0 110.078 178.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 21.7 pt -61.79 -37.91 79.23 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 CA-C-O 114.956 -2.449 . . . . 0.0 115.341 -174.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -148.2 113.46 3.85 Favored Pre-proline 0 N--CA 1.497 1.911 0 O-C-N 126.549 2.406 . . . . 0.0 110.481 -174.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -52.68 -26.87 31.31 Favored 'Trans proline' 0 CA--C 1.487 -1.853 1 CA-C-O 108.88 -4.717 . . . . 0.0 111.712 -178.796 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -37.07 -42.35 0.77 Allowed Glycine 0 N--CA 1.493 2.471 0 CA-C-N 125.019 3.554 . . . . 0.0 120.215 164.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.36 144.53 37.91 Favored 'General case' 0 C--N 1.29 -1.982 0 CA-C-N 121.377 2.589 . . . . 0.0 112.263 -165.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -145.81 -9.48 0.54 Allowed 'General case' 0 N--CA 1.509 2.484 0 N-CA-C 115.917 1.821 . . . . 0.0 115.917 -175.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -93.72 125.49 38.36 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 116.274 -1.822 . . . . 0.0 113.397 168.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 42.1 pt -43.09 -32.67 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 CA-C-N 123.86 3.027 . . . . 0.0 116.141 -179.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.7 m -63.04 -42.57 99.78 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 131.128 3.771 . . . . 0.0 112.105 -175.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . 0.253 18.3 t-20 -104.77 -30.57 9.82 Favored 'General case' 0 N--CA 1.395 -3.18 0 C-N-CA 127.759 2.424 . . . . 0.0 112.011 -177.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 60.6 m -52.38 130.29 30.82 Favored 'General case' 0 CA--C 1.568 1.667 0 CA-C-O 126.655 3.121 . . . . 0.0 113.853 168.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -134.36 150.06 50.89 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-N 112.019 -2.355 . . . . 0.0 110.599 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -133.81 157.5 45.75 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 111.786 -2.461 . . . . 0.0 116.802 -167.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -125.1 153.01 43.62 Favored 'General case' 0 C--O 1.268 2.059 0 CA-C-N 113.81 -1.541 . . . . 0.0 110.599 -173.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -106.96 115.3 29.94 Favored 'General case' 0 C--N 1.289 -2.063 0 C-N-CA 129.495 3.118 . . . . 0.0 109.508 -165.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -129.51 76.01 79.2 Favored Pre-proline 0 CA--C 1.57 1.723 0 N-CA-C 105.002 -2.221 . . . . 0.0 105.002 -178.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -73.17 167.12 28.16 Favored 'Trans proline' 0 C--O 1.267 1.942 0 O-C-N 123.681 1.358 . . . . 0.0 108.977 164.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 168.62 -158.63 31.4 Favored Glycine 1 N--CA 1.525 4.623 0 CA-C-N 112.865 -1.97 . . . . 0.0 110.263 -174.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -146.99 128.69 15.2 Favored 'General case' 0 C--N 1.394 2.517 0 CA-C-O 112.703 -3.523 . . . . 0.0 113.974 -175.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -153.0 160.97 43.06 Favored 'General case' 0 CA--C 1.557 1.248 0 CA-C-N 124.221 3.191 . . . . 0.0 112.183 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -58.43 177.03 0.15 Allowed 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 118.638 2.829 . . . . 0.0 118.638 156.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -138.45 163.07 32.87 Favored 'General case' 0 CA--C 1.583 2.225 0 N-CA-C 116.444 2.016 . . . . 0.0 116.444 167.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.2 t -132.39 131.38 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.18 0 N-CA-C 104.684 -2.339 . . . . 0.0 104.684 176.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.9 m -133.72 149.51 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 C-N-CA 129.169 2.988 . . . . 0.0 111.788 -163.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.84 150.53 30.25 Favored 'General case' 0 C--N 1.366 1.322 0 O-C-N 119.978 -1.701 . . . . 0.0 110.533 161.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 61.1 m -129.06 162.72 27.02 Favored 'General case' 0 C--O 1.25 1.129 0 O-C-N 124.698 1.249 . . . . 0.0 113.921 -178.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -138.82 -178.63 5.41 Favored 'General case' 0 C--O 1.177 -2.746 0 C-N-CA 123.167 0.587 . . . . 0.0 110.602 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -76.04 163.09 27.49 Favored 'General case' 0 CA--C 1.586 2.347 0 N-CA-C 116.007 1.854 . . . . 0.0 116.007 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -61.27 143.13 56.2 Favored 'General case' 0 C--O 1.196 -1.763 0 O-C-N 120.838 -1.164 . . . . 0.0 110.593 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . 0.282 5.5 t70 -65.72 157.2 80.41 Favored Pre-proline 0 C--O 1.189 -2.104 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 149.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . 0.348 52.7 Cg_exo -50.65 -34.19 42.5 Favored 'Trans proline' 0 CA--C 1.577 2.665 0 CA-C-O 114.706 -2.289 . . . . 0.0 111.714 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -131.65 -23.47 2.31 Favored 'General case' 0 CA--C 1.494 -1.206 0 CA-C-N 122.729 2.513 . . . . 0.0 115.822 -159.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -84.17 139.86 32.12 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 117.106 -3.497 . . . . 0.0 107.229 -175.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 43.7 m 38.25 61.81 4.44 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 129.906 3.282 . . . . 0.0 110.436 176.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -77.56 10.84 2.37 Favored 'Trans proline' 0 N--CA 1.435 -1.965 0 C-N-CA 124.176 3.251 . . . . 0.0 114.894 -168.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 35.4 ttt-85 -77.94 -14.13 59.64 Favored 'General case' 0 C--O 1.17 -3.09 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 172.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -128.45 131.64 23.89 Favored Pre-proline 0 C--O 1.258 1.521 0 O-C-N 119.191 -2.193 . . . . 0.0 114.974 -164.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -71.52 -16.47 30.61 Favored 'Trans proline' 0 C--N 1.377 2.062 0 CA-C-N 123.113 2.148 . . . . 0.0 112.391 178.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.2 m -149.56 165.84 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.473 0 CA-C-O 116.678 -1.629 . . . . 0.0 114.413 -172.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.58 138.47 10.57 Favored Pre-proline 0 C--O 1.259 1.595 0 O-C-N 124.706 1.254 . . . . 0.0 111.141 -161.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -57.31 141.45 94.7 Favored 'Trans proline' 1 N--CA 1.367 -5.914 1 C-N-CA 126.115 4.543 . . . . 0.0 113.297 171.628 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 34.4 m -137.22 -17.74 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.769 0 N-CA-C 118.478 2.77 . . . . 0.0 118.478 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -143.42 158.45 43.63 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 117.154 -1.403 . . . . 0.0 113.898 173.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 22.3 tp -116.7 127.64 54.6 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 113.741 -3.028 . . . . 0.0 110.082 176.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -104.58 -35.43 7.85 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-N 123.84 3.018 . . . . 0.0 109.82 -168.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.1 t -166.76 -173.99 2.6 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 124.543 1.137 . . . . 0.0 113.049 160.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 58.5 p -134.69 144.17 47.63 Favored 'General case' 0 N--CA 1.539 3.976 0 O-C-N 118.953 -2.342 . . . . 0.0 114.056 160.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.35 0.2 OUTLIER . . . . . 0 C--N 1.393 2.486 0 CA-C-N 121.819 2.1 . . . . 0.0 112.891 -162.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo . . . . . 0 CA--C 1.562 1.88 0 N-CA-C 114.071 0.758 . . . . 0.0 114.071 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -74.42 -24.92 13.64 Favored 'Trans proline' 0 CA--C 1.566 2.085 0 N-CA-C 119.162 2.716 . . . . 0.0 119.162 -169.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -138.69 3.91 2.31 Favored 'General case' 0 N--CA 1.512 2.635 0 N-CA-C 119.804 3.261 . . . . 0.0 119.804 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -144.07 153.23 41.97 Favored 'General case' 0 N--CA 1.511 2.619 0 C-N-CA 124.446 1.098 . . . . 0.0 109.369 177.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.0 p -77.3 162.32 27.4 Favored 'General case' 0 C--O 1.262 1.715 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.18 164.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -62.33 -31.68 72.34 Favored 'General case' 0 CA--C 1.556 1.184 0 CA-C-O 112.99 -3.386 . . . . 0.0 108.06 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.9 -27.49 62.87 Favored 'General case' 0 CA--C 1.609 3.225 0 CA-C-N 122.757 2.526 . . . . 0.0 113.266 176.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -74.53 -37.08 63.16 Favored 'General case' 0 CA--C 1.569 1.687 0 C-N-CA 128.323 2.649 . . . . 0.0 109.606 169.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -70.57 -46.6 63.19 Favored 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 116.638 2.088 . . . . 0.0 116.638 174.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -33.86 -56.54 0.47 Allowed 'General case' 0 N--CA 1.438 -1.025 0 C-N-CA 127.407 2.283 . . . . 0.0 115.53 158.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.25 -51.35 61.36 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 124.893 1.277 . . . . 0.0 112.335 -177.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.0 mt -59.66 -25.61 32.35 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.994 0 O-C-N 127.928 3.268 . . . . 0.0 110.193 -174.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -88.55 -23.74 23.08 Favored 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 117.228 2.307 . . . . 0.0 117.228 174.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -137.42 -12.55 1.58 Allowed 'General case' 0 C--O 1.26 1.634 0 O-C-N 119.748 -1.845 . . . . 0.0 114.089 -166.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.1 mm -114.97 133.9 59.72 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.359 0 O-C-N 116.554 -3.841 . . . . 0.0 112.818 -169.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.1 t -161.94 -178.15 6.27 Favored 'General case' 0 CA--C 1.583 2.231 0 CA-C-N 112.572 -2.104 . . . . 0.0 111.036 -159.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.6 tp -158.31 -22.97 0.08 Allowed 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 112.411 -2.177 . . . . 0.0 113.315 172.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -157.92 72.04 4.14 Favored Pre-proline 0 CA--C 1.592 2.558 0 CA-C-N 124.844 3.474 . . . . 0.0 106.856 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.33 151.98 49.15 Favored 'Trans proline' 0 C--N 1.398 3.144 0 CA-C-O 122.68 1.033 . . . . 0.0 112.233 -165.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -70.48 174.6 9.89 Favored 'Trans proline' 0 CA--C 1.577 2.628 0 CA-C-O 123.662 1.442 . . . . 0.0 111.021 170.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.4 mmt-85 -58.79 152.98 17.87 Favored 'General case' 0 N--CA 1.428 -1.571 1 O-C-N 115.593 -4.442 . . . . 0.0 109.407 175.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.493 ' SG ' ' HA ' ' A' ' 100' ' ' ASP . 5.6 m -48.65 -34.86 12.59 Favored 'General case' 0 C--N 1.399 2.726 0 C-N-CA 127.945 2.498 . . . . 0.0 113.672 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.3 p -48.6 -48.18 39.37 Favored 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 131.462 3.905 . . . . 0.0 108.813 170.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 37.4 mm -89.24 -35.82 8.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 O-C-N 118.247 -2.783 . . . . 0.0 114.438 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.87 -39.91 55.59 Favored 'General case' 0 N--CA 1.511 2.586 0 O-C-N 119.7 -1.875 . . . . 0.0 113.616 -173.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 83.4 mmm -62.99 -16.15 58.7 Favored 'General case' 0 C--N 1.41 3.213 0 O-C-N 120.146 -1.596 . . . . 0.0 112.168 172.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -65.91 -17.72 64.85 Favored 'General case' 0 N--CA 1.508 2.444 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 165.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.71 -36.77 72.46 Favored 'General case' 0 N--CA 1.411 -2.391 0 O-C-N 119.934 -1.729 . . . . 0.0 114.576 171.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 pt -97.87 -59.87 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.547 0 CA-C-O 123.746 1.736 . . . . 0.0 108.679 173.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -76.45 -11.41 59.88 Favored 'General case' 0 CA--C 1.562 1.438 0 O-C-N 116.783 -3.698 . . . . 0.0 114.994 -159.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -102.69 27.09 7.24 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 128.921 2.888 . . . . 0.0 117.53 165.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -144.09 -37.86 0.31 Allowed 'General case' 0 N--CA 1.498 1.972 0 CA-C-O 114.102 -2.856 . . . . 0.0 105.363 -175.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -86.5 163.53 17.47 Favored 'General case' 0 CA--C 1.571 1.767 0 CA-C-N 120.821 1.646 . . . . 0.0 110.16 170.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 16.1 p-90 -57.05 -29.44 63.41 Favored 'General case' 0 N--CA 1.393 -3.318 1 N-CA-C 122.345 4.202 . . . . 0.0 122.345 174.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -132.39 170.51 14.99 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 127.599 2.36 . . . . 0.0 114.446 171.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 78.3 m -58.4 172.27 0.49 Allowed 'General case' 0 N--CA 1.5 2.04 0 O-C-N 127.239 2.837 . . . . 0.0 116.966 165.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -149.54 144.82 26.49 Favored 'General case' 0 CA--C 1.502 -0.896 0 C-N-CA 131.562 3.945 . . . . 0.0 110.343 172.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -66.97 -48.82 67.35 Favored 'General case' 0 N--CA 1.403 -2.822 0 N-CA-C 121.52 3.896 . . . . 0.0 121.52 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -141.81 150.91 42.28 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-O 123.464 1.602 . . . . 0.0 106.906 -176.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -151.34 148.97 28.79 Favored 'General case' 0 N--CA 1.503 2.185 0 C-N-CA 127.409 2.284 . . . . 0.0 113.611 163.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.2 m -114.82 142.24 46.82 Favored 'General case' 0 C--O 1.195 -1.797 0 O-C-N 128.685 3.74 . . . . 0.0 108.936 174.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -124.0 151.64 43.49 Favored 'General case' 0 CA--C 1.581 2.168 0 O-C-N 118.07 -2.894 . . . . 0.0 112.397 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.3 mt -136.46 132.59 35.58 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-N 121.531 1.969 . . . . 0.0 113.438 -166.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -92.78 77.82 4.82 Favored 'General case' 0 N--CA 1.395 -3.221 0 C-N-CA 128.612 2.765 . . . . 0.0 111.483 -174.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.451 ' HB ' HG11 ' A' ' 78' ' ' VAL . 14.9 t -153.14 159.15 42.68 Favored 'General case' 0 CA--C 1.558 1.268 0 CA-C-N 111.894 -2.412 . . . . 0.0 115.446 -178.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.9 p -74.71 127.31 32.83 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-O 114.333 -2.746 . . . . 0.0 110.893 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -40.63 -42.45 1.71 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 128.901 2.88 . . . . 0.0 108.282 170.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.17 -46.27 54.07 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 129.199 2.999 . . . . 0.0 116.307 170.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -69.29 -35.19 75.76 Favored 'General case' 0 C--N 1.282 -2.331 0 CA-C-N 121.326 1.876 . . . . 0.0 110.66 176.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.0 t -68.75 -36.58 74.96 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.289 0 O-C-N 117.78 -3.075 . . . . 0.0 111.217 177.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 82.0 t -62.28 -47.29 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 125.239 1.587 . . . . 0.0 114.988 161.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . 0.301 21.6 t-20 -52.03 -36.68 50.95 Favored 'General case' 0 CA--C 1.585 2.308 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 165.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.1 t -72.36 -36.85 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.993 0 O-C-N 119.468 -2.02 . . . . 0.0 111.943 176.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 63.3 m -56.72 -10.25 0.98 Allowed 'General case' 0 CA--C 1.592 2.591 0 N-CA-C 117.439 2.385 . . . . 0.0 117.439 157.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.15 -26.31 19.14 Favored Glycine 1 CA--C 1.583 4.285 0 CA-C-O 126.785 3.436 . . . . 0.0 110.296 176.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -62.13 164.16 7.19 Favored 'General case' 0 N--CA 1.506 2.354 0 N-CA-C 118.798 2.888 . . . . 0.0 118.798 170.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -34.32 136.64 0.13 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 128.312 2.645 . . . . 0.0 113.6 174.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 m -73.93 131.32 41.33 Favored 'General case' 0 N--CA 1.525 3.299 0 CA-C-O 117.12 -1.419 . . . . 0.0 112.921 174.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.575 HG13 ' SG ' ' A' ' 71' ' ' CYS . 20.9 pt -136.98 -162.65 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.251 1.183 0 O-C-N 124.456 1.097 . . . . 0.0 108.923 174.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -147.46 153.07 39.11 Favored 'General case' 0 N--CA 1.517 2.893 0 C-N-CA 119.517 -0.873 . . . . 0.0 109.539 -175.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 68.0 m -143.88 153.36 57.32 Favored Pre-proline 0 CA--C 1.607 3.146 0 CA-C-O 116.015 -1.945 . . . . 0.0 109.887 -151.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -54.09 -8.88 1.13 Allowed 'Trans proline' 0 C--O 1.244 0.777 1 N-CA-C 122.965 4.179 . . . . 0.0 122.965 177.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 53.1 m80 -132.86 27.03 4.3 Favored 'General case' 0 CA--C 1.599 2.839 0 CA-C-O 116.466 -1.73 . . . . 0.0 109.817 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -130.49 -5.51 4.21 Favored 'General case' 0 N--CA 1.515 2.794 0 N-CA-C 116.5 2.037 . . . . 0.0 116.5 -168.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.3 ptt-85 -46.07 -17.16 0.03 OUTLIER 'General case' 0 C--N 1.39 2.338 0 O-C-N 119.585 -1.947 . . . . 0.0 116.161 170.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -43.59 -36.1 1.98 Allowed 'General case' 0 N--CA 1.422 -1.839 0 O-C-N 116.937 -3.602 . . . . 0.0 114.95 155.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -150.17 3.32 0.51 Allowed 'General case' 0 N--CA 1.513 2.682 0 CA-C-N 124.576 3.353 . . . . 0.0 113.558 173.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 44.08 47.19 7.37 Favored 'General case' 0 C--O 1.284 2.885 0 C-N-CA 127.432 2.293 . . . . 0.0 114.203 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -134.36 117.91 16.87 Favored 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 125.029 1.331 . . . . 0.0 112.265 166.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.575 ' SG ' HG13 ' A' ' 60' ' ' ILE . 31.3 p -145.2 -178.16 5.92 Favored 'General case' 0 C--N 1.31 -1.14 0 C-N-CA 129.104 2.961 . . . . 0.0 108.336 175.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -148.75 168.92 21.64 Favored 'General case' 0 CA--C 1.446 -3.039 0 C-N-CA 126.138 1.775 . . . . 0.0 112.772 -174.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 29.9 ptt85 -146.33 151.93 38.31 Favored 'General case' 0 N--CA 1.503 2.177 0 CA-C-N 114.08 -1.418 . . . . 0.0 110.474 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 67.8 p -63.77 155.69 29.51 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 126.361 2.288 . . . . 0.0 113.728 -170.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.6 mtt-85 -85.1 -38.03 19.58 Favored 'General case' 0 C--O 1.257 1.456 0 C-N-CA 125.668 1.587 . . . . 0.0 114.263 174.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -142.61 152.06 42.12 Favored 'General case' 0 CA--C 1.574 1.902 1 C-N-CA 132.328 4.251 . . . . 0.0 108.738 -176.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -73.09 167.6 20.8 Favored 'General case' 0 C--O 1.214 -0.776 0 N-CA-C 118.742 2.867 . . . . 0.0 118.742 178.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.451 HG11 ' HB ' ' A' ' 46' ' ' THR . 15.2 m -135.85 148.03 63.53 Favored Pre-proline 0 C--N 1.379 1.884 0 CA-C-O 115.873 -2.013 . . . . 0.0 110.137 175.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -60.96 141.02 93.24 Favored 'Trans proline' 0 CA--C 1.511 -0.674 0 O-C-N 128.614 3.955 . . . . 0.0 109.741 168.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 pp -140.45 160.93 38.92 Favored 'General case' 0 CA--C 1.503 -0.852 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 34.6 tp -117.26 124.99 50.38 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 129.848 3.259 . . . . 0.0 110.139 174.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -117.61 138.13 52.16 Favored 'General case' 0 CA--C 1.595 2.707 0 C-N-CA 127.132 2.173 . . . . 0.0 106.424 176.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 97.2 m -114.44 160.33 19.3 Favored 'General case' 0 C--N 1.291 -1.944 0 CA-C-N 113.067 -1.878 . . . . 0.0 110.736 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -158.22 115.56 2.91 Favored 'General case' 0 N--CA 1.505 2.3 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 -156.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 24.0 tp -86.87 129.86 34.7 Favored 'General case' 0 C--N 1.37 1.461 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -177.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.288 35.8 pt -43.8 -41.6 1.62 Allowed 'Isoleucine or valine' 0 C--O 1.283 2.83 0 N-CA-C 119.405 3.113 . . . . 0.0 119.405 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -139.59 109.36 7.3 Favored Pre-proline 0 C--O 1.21 -0.996 0 C-N-CA 131.517 3.927 . . . . 0.0 113.292 177.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -42.09 -24.32 0.31 Allowed 'Trans proline' 0 CA--C 1.57 2.277 1 C-N-CA 128.587 6.191 . . . . 0.0 120.976 166.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -93.19 12.58 69.53 Favored Glycine 0 CA--C 1.565 3.208 0 O-C-N 124.997 1.436 . . . . 0.0 111.806 -176.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -99.25 146.96 25.65 Favored 'General case' 0 N--CA 1.506 2.373 0 O-C-N 118.443 -2.798 . . . . 0.0 110.27 176.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -134.91 -16.07 1.98 Allowed 'General case' 0 CA--C 1.58 2.103 0 O-C-N 117.782 -3.074 . . . . 0.0 108.733 -156.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -114.2 136.23 53.18 Favored 'General case' 0 CA--C 1.588 2.435 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -164.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 9.0 pt -45.91 -46.05 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.132 0 O-C-N 117.532 -3.23 . . . . 0.0 117.756 174.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.5 m -81.58 13.86 2.87 Favored 'General case' 0 C--O 1.276 2.478 0 C-N-CA 128.095 2.558 . . . . 0.0 113.78 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -136.55 -36.56 0.71 Allowed 'General case' 0 C--N 1.37 1.481 0 CA-C-O 114.274 -2.774 . . . . 0.0 107.81 174.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 56.2 m -66.58 141.28 57.89 Favored 'General case' 0 N--CA 1.413 -2.295 0 CA-C-N 123.848 3.022 . . . . 0.0 111.604 175.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -149.83 157.44 43.2 Favored 'General case' 0 N--CA 1.432 -1.33 0 C-N-CA 130.185 3.394 . . . . 0.0 112.655 178.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -139.71 156.01 47.04 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 115.887 1.81 . . . . 0.0 115.887 -163.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -122.54 153.81 38.73 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 116.867 -1.54 . . . . 0.0 112.667 172.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.493 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -80.75 146.98 30.73 Favored 'General case' 0 N--CA 1.524 3.234 0 CA-C-N 119.876 1.216 . . . . 0.0 111.348 177.538 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -141.36 75.23 23.2 Favored Pre-proline 0 N--CA 1.424 -1.743 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 160.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . 0.466 13.0 Cg_endo -51.65 143.94 35.44 Favored 'Trans proline' 0 CA--C 1.556 1.579 1 C-N-CA 128.994 6.463 . . . . 0.0 114.175 167.769 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -160.28 -176.14 32.04 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 107.239 -2.344 . . . . 0.0 107.239 -165.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -155.17 119.9 4.8 Favored 'General case' 1 N--CA 1.543 4.211 0 CA-C-N 113.616 -1.292 . . . . 0.0 108.359 163.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 73.2 mtm-85 -137.76 175.98 9.11 Favored 'General case' 0 C--O 1.257 1.485 0 C-N-CA 126.607 1.963 . . . . 0.0 111.982 178.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -87.93 167.67 13.53 Favored 'General case' 0 C--N 1.376 1.719 0 N-CA-C 106.779 -1.563 . . . . 0.0 106.779 167.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -148.25 166.87 26.66 Favored 'General case' 0 C--O 1.247 0.937 0 O-C-N 120.33 -1.481 . . . . 0.0 114.73 -176.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 42.6 t -134.43 143.96 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.301 0 C-N-CA 126.26 1.824 . . . . 0.0 106.975 -173.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 10.0 m -141.25 164.58 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.469 -178.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -121.09 153.76 37.02 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 102.047 -3.316 . . . . 0.0 102.047 161.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 77.7 m -139.95 158.24 44.39 Favored 'General case' 0 C--O 1.193 -1.899 0 C-N-CA 126.85 2.06 . . . . 0.0 113.728 -161.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -138.63 173.97 11.03 Favored 'General case' 0 CA--C 1.548 0.865 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 176.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -69.62 158.99 34.25 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 116.918 -3.614 . . . . 0.0 110.863 169.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -66.36 174.55 2.63 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 116.874 2.176 . . . . 0.0 116.874 -175.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -116.16 134.55 22.77 Favored Pre-proline 0 CA--C 1.561 1.369 0 CA-C-N 113.156 -1.838 . . . . 0.0 113.326 164.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -47.45 -13.26 0.15 Allowed 'Trans proline' 1 N--CA 1.542 4.346 1 N-CA-C 122.509 4.003 . . . . 0.0 122.509 177.483 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . 0.269 67.1 mtt85 -133.45 16.27 4.04 Favored 'General case' 0 C--O 1.187 -2.189 0 C-N-CA 126.966 2.106 . . . . 0.0 114.203 -172.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -140.29 145.96 37.94 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-N 112.162 -2.29 . . . . 0.0 114.515 174.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . 0.273 3.5 m 39.28 56.52 6.02 Favored Pre-proline 0 N--CA 1.492 1.642 0 C-N-CA 128.032 2.533 . . . . 0.0 112.694 -177.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -55.46 -20.86 27.9 Favored 'Trans proline' 0 C--N 1.381 2.269 1 C-N-CA 127.647 5.565 . . . . 0.0 116.352 -171.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 33.8 ttt85 -67.89 -17.31 64.44 Favored 'General case' 0 CA--C 1.593 2.63 0 CA-C-O 115.146 -2.359 . . . . 0.0 115.996 175.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -126.68 148.81 66.31 Favored Pre-proline 0 N--CA 1.527 3.384 0 CA-C-N 121.077 1.762 . . . . 0.0 113.918 -164.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -78.65 -24.19 7.63 Favored 'Trans proline' 0 CA--C 1.567 2.14 0 CA-C-N 121.378 1.528 . . . . 0.0 114.251 174.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 29.8 m -137.36 160.18 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 CA-C-O 124.614 2.15 . . . . 0.0 110.097 -177.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 4.0 m -126.37 149.25 66.84 Favored Pre-proline 0 C--O 1.29 3.209 0 O-C-N 117.37 -3.331 . . . . 0.0 116.947 171.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -73.16 147.32 42.38 Favored 'Trans proline' 0 C--N 1.3 -2.019 1 C-N-CA 128.109 5.872 . . . . 0.0 110.561 164.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.4 m -137.7 -14.35 0.59 Allowed 'Isoleucine or valine' 1 N--CA 1.54 4.027 0 N-CA-C 115.547 1.684 . . . . 0.0 115.547 -174.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -161.75 126.42 3.4 Favored 'General case' 0 N--CA 1.51 2.539 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 172.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 8.5 tp -76.32 117.72 18.28 Favored 'General case' 0 C--O 1.187 -2.219 0 C-N-CA 128.858 2.863 . . . . 0.0 103.548 172.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -86.36 -47.53 9.27 Favored 'General case' 0 C--N 1.287 -2.146 0 N-CA-C 116.882 2.179 . . . . 0.0 116.882 174.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 5.2 t -161.91 173.42 14.52 Favored 'General case' 0 C--O 1.205 -1.239 0 CA-C-N 122.385 2.357 . . . . 0.0 113.652 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 64.5 p -126.96 158.74 36.05 Favored 'General case' 0 CA--C 1.491 -1.29 0 O-C-N 126.699 2.5 . . . . 0.0 107.655 169.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.265 0.2 OUTLIER . . . . . 0 N--CA 1.512 2.664 0 CA-C-O 114.309 -2.758 . . . . 0.0 112.101 -173.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.4 mtp85 . . . . . 0 C--O 1.243 0.736 0 N-CA-C 103.725 -2.694 . . . . 0.0 103.725 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -54.2 163.77 3.17 Favored 'Trans proline' 0 CA--C 1.576 2.621 0 O-C-N 127.662 3.454 . . . . 0.0 115.263 155.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -53.37 -33.15 65.18 Favored 'Trans proline' 0 C--O 1.288 2.992 1 C-N-CA 128.119 5.879 . . . . 0.0 112.139 -168.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -128.73 1.99 5.46 Favored 'General case' 0 CA--C 1.616 3.513 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -173.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -160.57 170.34 21.08 Favored 'General case' 0 C--N 1.359 0.982 0 O-C-N 117.912 -2.993 . . . . 0.0 111.712 -174.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.0 p -68.3 165.97 17.47 Favored 'General case' 0 C--N 1.291 -1.944 0 O-C-N 126.491 2.369 . . . . 0.0 111.828 161.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -60.71 -56.83 16.54 Favored 'General case' 0 C--N 1.37 1.477 0 O-C-N 119.483 -2.011 . . . . 0.0 107.439 172.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.62 -39.62 68.11 Favored 'General case' 0 CA--C 1.592 2.566 0 N-CA-C 115.749 1.759 . . . . 0.0 115.749 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -68.41 -43.65 76.75 Favored 'General case' 0 N--CA 1.508 2.471 0 C-N-CA 118.314 -1.354 . . . . 0.0 110.663 174.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.25 51.5 t-105 -59.81 -41.54 91.48 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-O 122.346 1.07 . . . . 0.0 109.192 -177.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -57.39 -40.3 77.95 Favored 'General case' 0 C--O 1.265 1.873 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 171.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.57 -50.45 51.64 Favored 'General case' 0 CA--C 1.561 1.381 0 C-N-CA 127.19 2.196 . . . . 0.0 110.552 175.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.4 mt -56.61 -30.52 32.13 Favored 'Isoleucine or valine' 0 C--O 1.26 1.618 0 CA-C-O 113.449 -3.167 . . . . 0.0 110.267 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -86.63 -42.67 13.25 Favored 'General case' 0 N--CA 1.397 -3.114 0 C-N-CA 131.381 3.872 . . . . 0.0 106.952 -178.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -132.73 -7.21 3.19 Favored 'General case' 0 C--N 1.403 2.927 0 N-CA-C 116.937 2.199 . . . . 0.0 116.937 -158.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.5 mm -119.82 112.15 35.72 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.241 0 CA-C-N 121.947 2.158 . . . . 0.0 106.86 -173.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.1 m -158.29 90.27 1.03 Allowed 'General case' 1 N--CA 1.551 4.591 0 N-CA-C 104.78 -2.304 . . . . 0.0 104.78 -152.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.0 tp -71.02 -32.98 69.9 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-O 115.945 -1.979 . . . . 0.0 111.943 -174.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -147.95 69.67 10.98 Favored Pre-proline 0 C--N 1.279 -2.494 0 C-N-CA 125.673 1.589 . . . . 0.0 107.764 -173.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -69.55 167.12 25.09 Favored 'Trans proline' 0 N--CA 1.501 1.966 0 C-N-CA 122.4 2.066 . . . . 0.0 113.687 -172.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -80.06 173.14 13.02 Favored 'Trans proline' 0 C--O 1.21 -0.89 0 C-N-CA 122.881 2.387 . . . . 0.0 114.626 155.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.4 mmt85 -65.53 146.07 55.31 Favored 'General case' 0 CA--C 1.583 2.215 0 C-N-CA 128.844 2.857 . . . . 0.0 110.442 172.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.521 ' SG ' ' HA ' ' A' ' 100' ' ' ASP . 35.5 m -43.23 -43.98 5.04 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 129.085 2.954 . . . . 0.0 116.958 -173.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.6 p -51.04 -29.15 11.89 Favored 'General case' 0 N--CA 1.519 3.016 0 C-N-CA 127.282 2.233 . . . . 0.0 116.236 172.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 mm -91.22 -49.56 13.31 Favored 'Isoleucine or valine' 0 C--N 1.379 1.89 0 C-N-CA 128.568 2.747 . . . . 0.0 112.753 167.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.29 -36.03 74.83 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 125.424 1.703 . . . . 0.0 112.85 -169.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.452 ' HE1' ' CE1' ' A' ' 98' ' ' TYR . 42.1 mmm -58.92 -32.29 69.42 Favored 'General case' 0 CA--C 1.572 1.805 0 C-N-CA 128.05 2.54 . . . . 0.0 114.635 177.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.3 35.1 mtt180 -51.37 -27.89 11.1 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 127.163 2.185 . . . . 0.0 115.906 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.87 -3.0 2.94 Favored 'General case' 0 N--CA 1.421 -1.877 0 N-CA-C 117.374 2.361 . . . . 0.0 117.374 176.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.4 pt -143.96 -39.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.386 2.158 0 O-C-N 120.362 -1.461 . . . . 0.0 111.571 165.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -69.23 -27.48 65.51 Favored 'General case' 0 CA--C 1.561 1.4 0 O-C-N 117.786 -3.072 . . . . 0.0 112.641 -171.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -97.55 23.55 7.6 Favored 'General case' 0 N--CA 1.529 3.522 0 C-N-CA 127.038 2.135 . . . . 0.0 112.488 167.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -134.06 -20.35 1.94 Allowed 'General case' 0 CA--C 1.577 2.006 0 O-C-N 124.701 1.251 . . . . 0.0 114.27 173.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -108.65 155.6 20.51 Favored 'General case' 0 CA--C 1.484 -1.57 0 C-N-CA 128.169 2.587 . . . . 0.0 113.592 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -18.06 42.04 Favored 'General case' 0 C--O 1.265 1.872 0 N-CA-C 119.916 3.302 . . . . 0.0 119.916 -166.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -139.86 157.38 45.81 Favored 'General case' 0 N--CA 1.489 1.49 1 C-N-CA 132.232 4.213 . . . . 0.0 113.211 173.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 78.8 m -58.39 120.61 9.07 Favored 'General case' 0 N--CA 1.412 -2.346 0 N-CA-C 117.306 2.336 . . . . 0.0 117.306 159.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.511 ' HE2' ' N ' ' A' ' 203' ' ' SGN . 19.9 tttt -77.64 133.52 38.39 Favored 'General case' 0 C--N 1.367 1.358 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 162.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . 0.266 9.1 t-20 -57.29 -42.1 81.08 Favored 'General case' 0 C--N 1.28 -2.447 0 C-N-CA 126.69 1.996 . . . . 0.0 113.051 -175.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -138.1 141.16 40.23 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 117.871 -3.018 . . . . 0.0 104.785 -163.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -148.64 163.25 37.83 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 116.898 2.184 . . . . 0.0 116.898 161.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.2 m -135.36 135.64 40.87 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 122.9 1.333 . . . . 0.0 109.295 -166.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -143.28 93.95 2.55 Favored 'General case' 0 C--O 1.262 1.726 0 CA-C-O 124.519 2.104 . . . . 0.0 106.783 -160.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.3 mt -71.22 116.93 12.1 Favored 'General case' 1 CA--C 1.631 4.067 0 O-C-N 117.86 -3.025 . . . . 0.0 116.984 -178.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -70.54 62.66 0.25 Allowed 'General case' 0 CA--C 1.581 2.167 0 CA-C-O 124.267 1.984 . . . . 0.0 108.263 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.1 t -138.94 166.84 23.42 Favored 'General case' 0 N--CA 1.525 3.316 0 C-N-CA 125.609 1.564 . . . . 0.0 113.488 172.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . 0.325 10.1 p -84.09 137.77 33.39 Favored 'General case' 0 N--CA 1.519 2.987 1 C-N-CA 132.731 4.412 . . . . 0.0 117.364 174.574 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -57.46 -33.42 67.95 Favored 'General case' 0 C--N 1.38 1.907 0 N-CA-C 117.816 2.524 . . . . 0.0 117.816 -177.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.77 -43.99 27.95 Favored 'General case' 0 N--CA 1.446 -0.656 1 CA-C-O 111.528 -4.082 . . . . 0.0 115.591 172.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -62.94 -43.57 98.42 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 127.304 2.877 . . . . 0.0 111.145 171.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . 0.294 2.7 t -66.79 -37.84 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 CA-C-N 113.842 -1.526 . . . . 0.0 109.317 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 42.5 t -62.43 -32.87 56.55 Favored 'Isoleucine or valine' 0 C--O 1.256 1.447 0 N-CA-C 117.617 2.451 . . . . 0.0 117.617 169.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -67.39 -33.78 75.9 Favored 'General case' 0 C--O 1.202 -1.415 0 CA-C-O 116.003 -1.951 . . . . 0.0 110.123 168.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 51.8 t -75.3 -21.38 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.4 -2.945 0 CA-C-N 123.388 2.813 . . . . 0.0 110.57 -176.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 55.2 m -86.96 25.5 1.3 Allowed 'General case' 0 N--CA 1.4 -2.933 0 C-N-CA 125.555 1.542 . . . . 0.0 113.204 162.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.35 14.19 2.99 Favored Glycine 0 CA--C 1.545 1.961 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 163.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -79.72 171.19 15.46 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 120.674 2.237 . . . . 0.0 105.33 170.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -53.53 137.9 35.31 Favored 'General case' 0 C--O 1.283 2.866 0 O-C-N 126.347 2.279 . . . . 0.0 112.489 173.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 62.3 m -69.18 124.57 24.15 Favored 'General case' 0 N--CA 1.532 3.644 0 CA-C-O 123.204 1.478 . . . . 0.0 114.853 175.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.6 pt -118.73 -168.15 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.36 0 CA-C-O 123.012 1.386 . . . . 0.0 107.44 169.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -140.02 158.33 44.24 Favored 'General case' 0 C--N 1.371 1.53 0 N-CA-C 115.678 1.733 . . . . 0.0 115.678 177.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 49.0 m -128.24 169.44 12.69 Favored Pre-proline 0 C--N 1.391 2.406 0 O-C-N 119.65 -1.906 . . . . 0.0 109.657 -163.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -51.4 -38.93 64.2 Favored 'Trans proline' 0 N--CA 1.491 1.331 1 C-N-CA 127.015 5.143 . . . . 0.0 113.623 -177.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -134.67 71.31 1.44 Allowed 'General case' 0 C--N 1.386 2.182 0 N-CA-C 104.571 -2.381 . . . . 0.0 104.571 -166.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -142.48 3.64 1.51 Allowed 'General case' 0 CA--C 1.559 1.326 0 C-N-CA 125.061 1.344 . . . . 0.0 114.598 -157.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -64.51 -23.52 67.3 Favored 'General case' 0 CA--C 1.574 1.866 0 O-C-N 118.75 -2.469 . . . . 0.0 116.267 -172.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 48.3 p -80.63 7.2 10.63 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 124.091 0.869 . . . . 0.0 112.025 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.321 1.9 pt? -143.24 -20.74 0.62 Allowed 'General case' 0 CA--C 1.618 3.58 0 C-N-CA 117.962 -1.495 . . . . 0.0 112.198 164.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.3 t30 39.63 40.78 0.68 Allowed 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 120.162 3.393 . . . . 0.0 120.162 -159.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -152.85 121.38 6.37 Favored 'General case' 0 N--CA 1.408 -2.556 0 C-N-CA 126.949 2.1 . . . . 0.0 107.706 -170.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 31.2 p -147.18 174.13 11.88 Favored 'General case' 0 CA--C 1.568 1.635 1 C-N-CA 134.087 4.955 . . . . 0.0 109.502 169.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -151.41 155.69 39.15 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -113.93 154.44 27.56 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 125.277 1.611 . . . . 0.0 106.778 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.1 p -71.38 140.94 50.34 Favored 'General case' 0 N--CA 1.384 -3.738 0 O-C-N 128.323 3.514 . . . . 0.0 110.839 -178.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -80.26 -21.61 42.57 Favored 'General case' 0 C--O 1.283 2.857 0 CA-C-O 115.742 -2.075 . . . . 0.0 112.295 -173.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -141.67 167.91 21.03 Favored 'General case' 0 C--O 1.277 2.544 0 N-CA-C 105.033 -2.21 . . . . 0.0 105.033 172.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -75.4 154.75 36.98 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 117.741 -3.1 . . . . 0.0 111.874 -171.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.8 m -135.51 153.28 77.59 Favored Pre-proline 0 C--O 1.274 2.36 0 CA-C-O 118.795 -0.622 . . . . 0.0 111.542 166.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . 0.252 61.2 Cg_endo -62.98 168.03 11.27 Favored 'Trans proline' 0 CA--C 1.546 1.125 0 C-N-CA 124.315 3.343 . . . . 0.0 110.347 170.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -163.05 -177.83 5.68 Favored 'General case' 0 C--O 1.186 -2.246 1 O-C-N 112.245 -6.534 . . . . 0.0 117.638 174.174 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.5 tp -137.9 148.36 45.26 Favored 'General case' 0 C--O 1.194 -1.83 0 CA-C-N 112.978 -1.919 . . . . 0.0 112.347 167.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . 0.265 12.2 t60 -125.88 150.3 48.01 Favored 'General case' 0 C--O 1.263 1.799 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 173.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 77.9 m -131.09 153.61 49.14 Favored 'General case' 0 C--O 1.25 1.088 0 C-N-CA 127.05 2.14 . . . . 0.0 109.439 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -145.64 109.52 4.82 Favored 'General case' 0 CA--C 1.602 2.947 0 C-N-CA 128.541 2.736 . . . . 0.0 113.161 -161.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 16.6 tp -65.27 104.67 0.97 Allowed 'General case' 0 CA--C 1.569 1.701 0 C-N-CA 126.419 1.888 . . . . 0.0 110.818 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.301 0.3 OUTLIER -74.44 -13.2 15.53 Favored 'Isoleucine or valine' 0 C--N 1.395 2.579 0 O-C-N 119.337 -2.102 . . . . 0.0 114.674 -162.732 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -140.4 97.76 7.48 Favored Pre-proline 0 C--N 1.37 1.489 0 C-N-CA 129.023 2.929 . . . . 0.0 107.277 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -48.85 -9.5 0.09 OUTLIER 'Trans proline' 0 N--CA 1.498 1.792 1 C-N-CA 128.851 6.368 . . . . 0.0 115.927 172.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -88.56 -15.83 59.47 Favored Glycine 1 CA--C 1.579 4.063 0 CA-C-N 122.43 2.377 . . . . 0.0 111.579 -177.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.43 135.05 49.72 Favored 'General case' 0 N--CA 1.436 -1.167 1 O-C-N 114.961 -4.846 . . . . 0.0 107.326 168.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -119.9 -6.62 10.04 Favored 'General case' 0 C--O 1.267 1.999 0 CA-C-N 111.338 -2.664 . . . . 0.0 113.559 172.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -142.89 159.97 41.22 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 125.416 2.531 . . . . 0.0 113.845 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.6 pt -67.11 -8.43 7.96 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.227 1 O-C-N 116.183 -4.073 . . . . 0.0 119.064 -171.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 55.1 p -78.35 -13.39 59.87 Favored 'General case' 0 C--O 1.25 1.131 0 C-N-CA 127.549 2.34 . . . . 0.0 112.292 171.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -142.84 -20.37 0.66 Allowed 'General case' 0 N--CA 1.416 -2.14 0 N-CA-C 118.562 2.801 . . . . 0.0 118.562 -175.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 82.6 m -67.72 137.95 55.88 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.781 0.8 . . . . 0.0 109.302 175.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -145.54 138.19 25.89 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 128.686 2.794 . . . . 0.0 107.856 -162.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.452 ' CE1' ' HE1' ' A' ' 27' ' ' MET 0.268 27.1 m-85 -135.81 -177.14 4.55 Favored 'General case' 0 C--N 1.353 0.719 0 O-C-N 120.267 -1.52 . . . . 0.0 109.625 -168.042 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -155.41 165.19 37.39 Favored 'General case' 0 CA--C 1.583 2.232 0 C-N-CA 130.915 3.686 . . . . 0.0 113.805 167.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.521 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 5.4 m-20 -93.31 148.5 21.99 Favored 'General case' 0 C--N 1.382 2.02 0 O-C-N 117.888 -3.008 . . . . 0.0 112.656 -169.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -143.9 84.77 9.5 Favored Pre-proline 0 N--CA 1.538 3.931 0 O-C-N 127.28 2.863 . . . . 0.0 117.128 171.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -79.87 157.74 24.22 Favored 'Trans proline' 0 N--CA 1.415 -3.119 1 C-N-CA 125.495 4.13 . . . . 0.0 112.181 -175.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -172.91 161.77 33.09 Favored Glycine 0 CA--C 1.573 3.662 0 O-C-N 126.952 2.658 . . . . 0.0 114.851 -162.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -138.11 112.7 8.85 Favored 'General case' 0 N--CA 1.518 2.957 0 CA-C-O 127.508 3.527 . . . . 0.0 116.693 171.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 81.9 mtm-85 -148.87 164.22 35.13 Favored 'General case' 0 C--O 1.177 -2.72 0 CA-C-N 112.524 -2.126 . . . . 0.0 112.535 -164.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -76.98 174.2 10.89 Favored 'General case' 0 CA--C 1.576 1.952 0 CA-C-O 116.24 -1.838 . . . . 0.0 109.147 168.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -144.06 163.72 32.72 Favored 'General case' 0 CA--C 1.572 1.79 0 CA-C-O 124.345 2.022 . . . . 0.0 107.747 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.5 t -131.59 126.63 58.14 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.17 0 O-C-N 117.343 -3.348 . . . . 0.0 114.24 -176.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.9 m -137.4 158.34 34.98 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.683 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -168.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -117.96 165.27 13.91 Favored 'General case' 0 C--O 1.255 1.343 0 O-C-N 119.351 -2.093 . . . . 0.0 107.494 174.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 3.3 m -158.91 151.62 21.92 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.507 -158.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -157.33 -178.09 7.09 Favored 'General case' 0 N--CA 1.405 -2.702 0 O-C-N 119.005 -2.309 . . . . 0.0 105.596 -175.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -48.4 159.81 0.19 Allowed 'General case' 0 CA--C 1.587 2.369 0 N-CA-C 118.562 2.801 . . . . 0.0 118.562 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -58.19 169.67 0.8 Allowed 'General case' 0 CA--C 1.609 3.213 0 C-N-CA 124.709 1.204 . . . . 0.0 113.823 161.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -99.13 136.16 20.6 Favored Pre-proline 0 N--CA 1.515 2.79 0 C-N-CA 126.762 2.025 . . . . 0.0 109.341 176.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -48.65 -28.49 12.53 Favored 'Trans proline' 0 C--N 1.367 1.544 0 N-CA-C 117.426 2.048 . . . . 0.0 117.426 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 38.2 mtm105 -121.14 16.41 11.55 Favored 'General case' 0 N--CA 1.517 2.918 0 CA-C-O 116.235 -1.841 . . . . 0.0 107.102 -171.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -139.8 134.47 31.83 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 125.543 3.792 . . . . 0.0 113.56 173.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.9 m 38.95 58.17 5.77 Favored Pre-proline 0 N--CA 1.496 1.839 0 N-CA-C 117.83 2.53 . . . . 0.0 117.83 167.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -54.1 -27.94 48.5 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 123.747 2.965 . . . . 0.0 115.678 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 49.6 tpt85 -43.11 -20.48 0.02 OUTLIER 'General case' 0 C--N 1.356 0.883 0 N-CA-C 117.554 2.428 . . . . 0.0 117.554 -177.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -125.14 110.79 26.8 Favored Pre-proline 0 CA--C 1.573 1.828 0 N-CA-C 105.084 -2.191 . . . . 0.0 105.084 -171.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -67.73 -23.34 42.23 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.988 2.459 . . . . 0.0 113.574 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -141.46 138.55 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 CA-C-N 121.625 2.011 . . . . 0.0 106.192 -174.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 23.2 m -137.25 148.86 63.92 Favored Pre-proline 0 C--O 1.255 1.347 0 C-N-CA 127.494 2.317 . . . . 0.0 109.644 -170.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -66.79 161.2 43.06 Favored 'Trans proline' 0 C--N 1.407 3.62 0 C-N-CA 124.098 3.199 . . . . 0.0 113.875 173.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 33.7 m -162.93 -7.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.51 2.568 0 CA-C-O 116.295 -1.812 . . . . 0.0 113.763 -166.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 40.8 t60 -159.51 172.31 18.1 Favored 'General case' 0 C--N 1.367 1.328 0 CA-C-N 122.372 2.351 . . . . 0.0 110.751 171.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 57.8 tp -132.03 131.37 42.42 Favored 'General case' 0 CA--C 1.585 2.308 0 C-N-CA 127.975 2.51 . . . . 0.0 114.435 -175.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -110.76 -51.8 2.84 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 119.348 -2.095 . . . . 0.0 113.805 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 10.0 t -166.14 177.96 6.62 Favored 'General case' 0 CA--C 1.574 1.888 0 CA-C-N 121.379 1.9 . . . . 0.0 113.484 177.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 81.7 p -137.1 148.16 46.52 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 125.331 1.453 . . . . 0.0 113.206 172.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.586 2.343 0 CA-C-O 114.597 -2.62 . . . . 0.0 108.936 -166.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' SGN . . . . . 0.511 ' N ' ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.5 mtp85 . . . . . 0 CA--C 1.574 1.877 0 CA-C-O 115.576 -2.154 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -43.95 158.09 0.13 Allowed 'Trans proline' 0 N--CA 1.521 3.095 0 N-CA-C 121.135 3.475 . . . . 0.0 121.135 148.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -52.92 -25.31 27.31 Favored 'Trans proline' 0 C--N 1.378 2.12 0 N-CA-C 120.312 3.159 . . . . 0.0 120.312 -174.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -130.64 -14.04 3.68 Favored 'General case' 0 C--N 1.359 0.979 0 CA-C-N 121.956 2.162 . . . . 0.0 113.787 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -142.68 178.41 7.65 Favored 'General case' 0 C--O 1.188 -2.134 0 CA-C-O 126.022 2.82 . . . . 0.0 110.5 -177.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.0 p -84.16 162.92 20.06 Favored 'General case' 0 C--N 1.368 1.407 0 O-C-N 118.623 -2.548 . . . . 0.0 108.188 168.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -61.33 -44.34 97.35 Favored 'General case' 0 N--CA 1.53 3.555 0 CA-C-N 119.32 0.964 . . . . 0.0 111.416 -170.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.01 -34.04 70.96 Favored 'General case' 0 CA--C 1.579 2.071 0 N-CA-C 117.55 2.426 . . . . 0.0 117.55 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -56.77 -44.49 81.86 Favored 'General case' 0 CA--C 1.554 1.108 0 O-C-N 124.957 1.411 . . . . 0.0 111.16 161.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -69.91 -29.62 66.84 Favored 'General case' 0 CA--C 1.593 2.633 0 CA-C-N 122.797 2.544 . . . . 0.0 114.422 173.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -65.57 -45.17 84.34 Favored 'General case' 0 N--CA 1.52 3.059 0 CA-C-N 119.908 1.231 . . . . 0.0 113.168 167.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.45 -59.04 6.09 Favored 'General case' 0 CA--C 1.598 2.824 0 C-N-CA 131.092 3.757 . . . . 0.0 109.597 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.3 mt -44.61 -52.4 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.615 3.472 0 CA-C-N 120.44 1.473 . . . . 0.0 110.397 168.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -73.81 -12.55 60.72 Favored 'General case' 0 C--N 1.392 2.429 0 CA-C-N 120.735 1.607 . . . . 0.0 110.019 -169.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -142.64 -13.5 0.76 Allowed 'General case' 0 CA--C 1.584 2.285 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 -164.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.0 mm -131.42 103.12 6.81 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.297 0 O-C-N 116.366 -3.959 . . . . 0.0 105.03 -158.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.9 m -154.84 118.18 4.49 Favored 'General case' 0 C--N 1.382 1.982 0 CA-C-N 114.381 -1.281 . . . . 0.0 109.036 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.5 tp -63.76 -36.94 85.52 Favored 'General case' 0 C--O 1.253 1.256 0 O-C-N 127.58 3.05 . . . . 0.0 110.868 -177.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -144.55 63.45 10.82 Favored Pre-proline 0 N--CA 1.418 -2.057 0 C-N-CA 125.634 1.573 . . . . 0.0 113.244 -172.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -45.63 162.78 0.1 OUTLIER 'Trans proline' 0 CA--C 1.589 3.226 0 O-C-N 126.756 2.977 . . . . 0.0 114.665 174.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -84.25 -174.45 1.84 Allowed 'Trans proline' 0 CA--C 1.493 -1.53 0 C-N-CA 123.574 2.849 . . . . 0.0 112.569 160.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.6 mmt-85 -54.85 137.64 44.71 Favored 'General case' 0 C--O 1.199 -1.575 0 CA-C-O 117.511 -1.233 . . . . 0.0 112.031 161.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 20.9 m -43.27 -35.47 1.48 Allowed 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 117.79 2.515 . . . . 0.0 117.79 172.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.8 p -61.55 -27.86 68.92 Favored 'General case' 0 C--O 1.257 1.474 0 CA-C-O 117.021 -1.466 . . . . 0.0 113.321 176.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.9 mm -85.82 -40.91 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.664 1.585 . . . . 0.0 113.018 170.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.36 -40.53 85.78 Favored 'General case' 0 C--N 1.395 2.562 0 CA-C-O 126.487 3.042 . . . . 0.0 115.731 -169.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 37.1 mmm -56.4 -18.72 11.99 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 113.004 -1.907 . . . . 0.0 113.277 170.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -63.3 -16.42 60.28 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 117.501 -3.25 . . . . 0.0 117.163 171.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.31 -19.31 65.78 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 117.345 -3.347 . . . . 0.0 115.884 174.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.1 pt -138.44 -32.7 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.513 2.709 0 CA-C-O 114.308 -2.758 . . . . 0.0 118.169 164.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -69.23 -9.5 53.34 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-N 121.723 2.056 . . . . 0.0 106.839 -177.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -104.96 6.14 33.31 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 119.263 -2.148 . . . . 0.0 114.636 175.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -135.45 -37.17 0.77 Allowed 'General case' 0 C--N 1.346 0.42 0 O-C-N 118.401 -2.687 . . . . 0.0 110.156 -175.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.81 147.54 52.42 Favored 'General case' 1 N--CA 1.373 -4.284 0 O-C-N 117.938 -2.976 . . . . 0.0 112.026 158.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -46.38 -36.81 6.81 Favored 'General case' 0 N--CA 1.512 2.652 0 N-CA-C 116.164 1.912 . . . . 0.0 116.164 -175.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -144.26 178.9 7.58 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 125.96 2.79 . . . . 0.0 108.779 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 37.1 m -79.7 113.17 17.65 Favored 'General case' 0 CA--C 1.597 2.758 1 O-C-N 115.952 -4.218 . . . . 0.0 114.442 -177.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.537 ' HE2' ' H3 ' ' A' ' 203' ' ' SGN . 43.8 tttt -59.11 138.67 57.46 Favored 'General case' 0 N--CA 1.513 2.722 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 164.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -70.02 -49.85 47.33 Favored 'General case' 0 C--O 1.206 -1.199 0 C-N-CA 128.426 2.69 . . . . 0.0 114.772 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -137.93 147.87 44.76 Favored 'General case' 0 C--O 1.272 2.287 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 -177.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -153.09 159.88 42.85 Favored 'General case' 0 N--CA 1.5 2.067 0 C-N-CA 127.311 2.244 . . . . 0.0 112.197 167.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.2 m -144.24 142.44 30.48 Favored 'General case' 0 CA--C 1.568 1.665 0 O-C-N 128.493 3.621 . . . . 0.0 110.366 -173.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -132.35 131.45 41.92 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 127.553 2.341 . . . . 0.0 111.331 -173.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.9 mt -85.4 129.99 34.69 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 123.627 1.679 . . . . 0.0 109.616 175.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -78.74 57.23 2.03 Favored 'General case' 0 CA--C 1.561 1.384 0 CA-C-O 125.317 2.484 . . . . 0.0 111.474 174.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.6 t -141.77 -173.05 3.68 Favored 'General case' 0 N--CA 1.526 3.356 0 O-C-N 118.266 -2.771 . . . . 0.0 107.125 -176.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.5 p -93.98 149.89 20.84 Favored 'General case' 0 C--O 1.203 -1.348 0 N-CA-C 116.627 2.084 . . . . 0.0 116.627 176.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -52.93 -33.94 53.12 Favored 'General case' 0 CA--C 1.563 1.449 0 O-C-N 117.855 -3.028 . . . . 0.0 110.83 168.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.57 -35.22 75.17 Favored 'General case' 0 C--N 1.385 2.125 0 C-N-CA 124.202 1.001 . . . . 0.0 112.138 -176.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -66.33 -34.24 77.54 Favored 'General case' 0 CA--C 1.576 1.971 0 CA-C-O 116.703 -1.618 . . . . 0.0 113.569 169.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.405 HG13 ' HB3' ' A' ' 126' ' ' PRO . 3.4 t -70.48 -32.53 50.27 Favored 'Isoleucine or valine' 0 C--O 1.259 1.563 0 N-CA-C 115.983 1.845 . . . . 0.0 115.983 173.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.8 t -74.39 -37.6 45.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 C-N-CA 130.569 3.547 . . . . 0.0 110.911 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -53.73 -39.65 65.45 Favored 'General case' 0 CA--C 1.564 1.492 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 157.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.5 t -74.1 -26.29 20.8 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.185 0 O-C-N 120.319 -1.488 . . . . 0.0 108.248 -176.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 34.5 m -67.95 -5.48 17.31 Favored 'General case' 0 CA--C 1.463 -2.373 0 N-CA-C 119.525 3.157 . . . . 0.0 119.525 166.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -119.21 12.99 11.25 Favored Glycine 0 N--CA 1.499 2.873 0 N-CA-C 119.13 2.412 . . . . 0.0 119.13 164.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -66.44 178.74 1.15 Allowed 'General case' 0 CA--C 1.606 3.117 0 N-CA-C 103.414 -2.809 . . . . 0.0 103.414 160.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -46.17 149.49 0.71 Allowed 'General case' 0 CA--C 1.569 1.68 0 C-N-CA 127.151 2.181 . . . . 0.0 113.34 167.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.6 m -79.68 136.51 36.81 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 117.632 2.456 . . . . 0.0 117.632 165.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.9 pt -137.63 176.87 6.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 C-N-CA 127.725 2.41 . . . . 0.0 110.558 173.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -119.91 164.88 15.39 Favored 'General case' 0 N--CA 1.515 2.778 1 O-C-N 115.91 -4.244 . . . . 0.0 111.503 171.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 57.4 m -138.0 160.48 64.29 Favored Pre-proline 0 N--CA 1.486 1.33 0 O-C-N 128.087 3.367 . . . . 0.0 107.606 -172.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -79.8 -9.34 14.49 Favored 'Trans proline' 0 C--O 1.161 -3.336 0 N-CA-C 119.148 2.711 . . . . 0.0 119.148 -164.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -126.17 34.89 4.77 Favored 'General case' 0 C--O 1.269 2.128 0 CA-C-O 123.251 1.5 . . . . 0.0 114.434 170.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -129.52 -14.33 4.19 Favored 'General case' 0 C--N 1.375 1.706 1 O-C-N 116.128 -4.108 . . . . 0.0 113.199 -160.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -50.64 -10.76 0.07 Allowed 'General case' 0 CA--C 1.56 1.349 0 C-N-CA 128.198 2.599 . . . . 0.0 117.206 -163.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.4 p -78.5 -6.83 56.53 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-O 111.874 -3.917 . . . . 0.0 112.51 174.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.51 -6.09 4.19 Favored 'General case' 0 C--N 1.315 -0.912 0 O-C-N 127.694 3.121 . . . . 0.0 113.302 158.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.339 28.5 t30 47.56 36.47 5.34 Favored 'General case' 0 CA--C 1.565 1.555 0 C-N-CA 131.672 3.989 . . . . 0.0 111.49 168.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -148.33 134.3 19.15 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 123.43 1.586 . . . . 0.0 108.433 175.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.2 p -142.31 -172.45 3.6 Favored 'General case' 0 N--CA 1.414 -2.25 0 C-N-CA 129.058 2.943 . . . . 0.0 114.174 162.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -149.29 171.56 16.3 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 125.163 1.385 . . . . 0.0 114.613 -175.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -152.2 167.08 29.72 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 117.394 -3.316 . . . . 0.0 110.225 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.4 p -75.66 144.36 41.7 Favored 'General case' 0 N--CA 1.518 2.95 0 CA-C-O 117.721 -1.133 . . . . 0.0 112.912 -170.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -75.98 -21.06 57.35 Favored 'General case' 0 N--CA 1.419 -2.018 0 CA-C-O 113.963 -2.923 . . . . 0.0 112.414 170.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -146.96 164.31 33.38 Favored 'General case' 0 C--O 1.26 1.611 0 CA-C-N 122.058 2.208 . . . . 0.0 109.334 171.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -65.19 154.35 38.28 Favored 'General case' 0 C--N 1.395 2.544 0 CA-C-O 113.149 -3.31 . . . . 0.0 111.96 -176.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.1 m -133.08 151.81 78.53 Favored Pre-proline 0 C--O 1.275 2.413 0 CA-C-N 121.02 1.736 . . . . 0.0 106.979 166.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -56.28 151.69 42.72 Favored 'Trans proline' 0 C--N 1.389 2.679 0 C-N-CA 121.583 1.522 . . . . 0.0 112.167 161.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.4 pp -154.83 168.04 28.24 Favored 'General case' 1 CA--C 1.644 4.576 0 C-N-CA 127.235 2.214 . . . . 0.0 112.224 -175.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.2 tp -130.22 141.32 50.64 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 125.072 1.349 . . . . 0.0 111.525 167.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -116.86 143.79 45.28 Favored 'General case' 0 C--N 1.373 1.614 0 O-C-N 125.419 1.699 . . . . 0.0 111.164 170.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . 0.255 61.1 m -125.31 141.73 51.91 Favored 'General case' 0 C--O 1.27 2.17 0 CA-C-O 126.648 3.118 . . . . 0.0 110.051 173.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -133.89 126.22 29.98 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-N 108.894 -3.776 . . . . 0.0 115.666 -161.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.0 tp -88.65 98.4 11.65 Favored 'General case' 0 C--O 1.181 -2.534 0 CA-C-O 123.381 1.562 . . . . 0.0 108.133 -175.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.274 1.5 pt -72.28 -5.14 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.822 0 C-N-CA 127.108 2.163 . . . . 0.0 115.858 -170.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -145.48 110.1 4.55 Favored Pre-proline 0 C--O 1.269 2.085 0 O-C-N 118.52 -2.612 . . . . 0.0 107.213 167.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -48.11 -32.47 18.8 Favored 'Trans proline' 0 N--CA 1.5 1.872 1 C-N-CA 131.099 7.866 . . . . 0.0 119.007 169.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -56.56 -41.82 89.57 Favored Glycine 0 C--N 1.362 2.008 0 CA-C-N 111.153 -2.749 . . . . 0.0 118.844 173.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.1 128.45 35.87 Favored 'General case' 0 N--CA 1.423 -1.814 0 C-N-CA 130.024 3.329 . . . . 0.0 115.308 177.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -140.54 -4.82 1.24 Allowed 'General case' 0 N--CA 1.526 3.362 0 CA-C-N 122.787 2.539 . . . . 0.0 115.74 175.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -110.72 146.38 36.38 Favored 'General case' 0 CA--C 1.474 -1.969 0 C-N-CA 124.915 1.286 . . . . 0.0 111.531 171.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.4 pt -47.14 -31.59 1.89 Allowed 'Isoleucine or valine' 0 C--O 1.272 2.282 1 O-C-N 114.786 -4.946 . . . . 0.0 118.226 177.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.2 p -60.58 -20.78 61.51 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 120.79 -1.194 . . . . 0.0 113.214 174.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -131.42 -10.79 3.62 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 115.613 1.708 . . . . 0.0 115.613 177.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 86.2 m -57.15 121.4 9.97 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 117.469 2.396 . . . . 0.0 117.469 169.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -137.01 158.39 44.57 Favored 'General case' 0 C--N 1.386 2.185 0 O-C-N 119.396 -2.065 . . . . 0.0 111.706 -175.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -147.74 153.54 39.39 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 118.327 -1.349 . . . . 0.0 111.56 -155.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -133.36 149.17 51.87 Favored 'General case' 0 CA--C 1.574 1.89 0 CA-C-O 123.456 1.598 . . . . 0.0 112.38 166.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.19 151.87 27.98 Favored 'General case' 0 C--N 1.389 2.308 0 CA-C-N 108.899 -3.773 . . . . 0.0 111.206 -174.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -159.24 88.69 2.07 Favored Pre-proline 0 N--CA 1.516 2.857 0 C-N-CA 130.118 3.367 . . . . 0.0 113.28 -174.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -87.87 163.98 7.5 Favored 'Trans proline' 0 C--O 1.265 1.832 0 C-N-CA 124.192 3.261 . . . . 0.0 115.469 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -164.77 178.94 39.73 Favored Glycine 0 N--CA 1.432 -1.626 0 N-CA-C 117.441 1.736 . . . . 0.0 117.441 -177.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -144.4 114.18 7.24 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-N 121.846 2.823 . . . . 0.0 110.198 166.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 86.7 mtm-85 -144.61 164.29 31.38 Favored 'General case' 0 CA--C 1.593 2.598 0 CA-C-O 112.793 -3.48 . . . . 0.0 112.16 -163.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -72.56 176.9 5.04 Favored 'General case' 0 CA--C 1.501 -0.942 0 O-C-N 127.003 2.689 . . . . 0.0 114.203 158.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -150.11 159.74 44.18 Favored 'General case' 0 N--CA 1.507 2.405 0 C-N-CA 118.22 -1.392 . . . . 0.0 113.152 -176.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.5 t -137.82 118.03 16.02 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.314 0 CA-C-O 123.12 1.438 . . . . 0.0 108.578 -174.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.3 m -129.7 163.33 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.351 0 CA-C-N 113.823 -1.535 . . . . 0.0 113.611 -177.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -123.68 150.07 44.7 Favored 'General case' 0 CA--C 1.572 1.806 0 O-C-N 119.739 -1.851 . . . . 0.0 108.739 -177.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 68.2 m -142.68 163.68 32.15 Favored 'General case' 0 N--CA 1.514 2.774 0 CA-C-N 121.399 1.909 . . . . 0.0 115.027 -160.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -156.6 -179.45 8.2 Favored 'General case' 0 N--CA 1.425 -1.677 0 O-C-N 119.279 -2.138 . . . . 0.0 112.806 -167.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . 0.279 31.3 t-20 -51.83 152.03 3.17 Favored 'General case' 0 N--CA 1.514 2.772 0 CA-C-O 127.509 3.528 . . . . 0.0 107.679 177.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -57.07 159.69 4.14 Favored 'General case' 0 CA--C 1.604 3.031 0 O-C-N 116.764 -3.71 . . . . 0.0 110.085 164.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -63.59 147.18 95.95 Favored Pre-proline 0 C--N 1.347 0.467 0 N-CA-C 118.176 2.658 . . . . 0.0 118.176 156.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -60.05 -22.24 68.62 Favored 'Trans proline' 0 N--CA 1.488 1.147 0 C-N-CA 123.397 2.731 . . . . 0.0 116.858 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 38.9 mtm105 -142.1 29.46 1.65 Allowed 'General case' 0 N--CA 1.502 2.168 0 CA-C-O 116.434 -1.746 . . . . 0.0 110.461 -158.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -148.58 140.91 24.18 Favored 'General case' 0 N--CA 1.515 2.814 0 CA-C-N 122.664 2.484 . . . . 0.0 111.256 171.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . 0.272 4.7 m 46.77 52.11 11.34 Favored Pre-proline 0 CA--C 1.549 0.911 0 CA-C-N 120.804 1.638 . . . . 0.0 113.791 162.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -37.36 -33.88 0.21 Allowed 'Trans proline' 0 C--N 1.373 1.857 1 C-N-CA 127.421 5.414 . . . . 0.0 114.434 175.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 49.8 tpt85 -59.03 -22.93 61.47 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 118.78 2.882 . . . . 0.0 118.78 -175.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . 0.329 30.2 m-85 -115.11 95.71 43.0 Favored Pre-proline 0 N--CA 1.509 2.485 1 O-C-N 129.37 4.169 . . . . 0.0 109.414 -176.308 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -73.08 -22.43 19.4 Favored 'Trans proline' 0 CA--C 1.57 2.32 0 N-CA-C 114.847 1.056 . . . . 0.0 114.847 -170.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . 0.256 4.3 m -129.87 144.28 38.52 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.813 0 C-N-CA 126.255 1.822 . . . . 0.0 113.559 167.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 25.0 m -143.18 162.48 42.72 Favored Pre-proline 0 C--O 1.259 1.573 0 C-N-CA 124.996 1.319 . . . . 0.0 110.981 -167.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.405 ' HB3' HG13 ' A' ' 51' ' ' VAL . 86.4 Cg_endo -74.58 146.65 34.82 Favored 'Trans proline' 0 C--N 1.4 3.238 0 C-N-CA 124.204 3.269 . . . . 0.0 111.559 175.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 35.7 m -124.82 -23.33 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 N-CA-C 118.706 2.854 . . . . 0.0 118.706 176.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -152.54 170.79 19.31 Favored 'General case' 0 C--N 1.39 2.35 0 O-C-N 118.242 -2.786 . . . . 0.0 112.877 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 24.4 tp -129.37 151.62 49.82 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 126.765 2.026 . . . . 0.0 107.347 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -121.84 -50.14 2.07 Favored 'General case' 0 N--CA 1.515 2.781 0 CA-C-O 127.62 3.581 . . . . 0.0 115.316 -168.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.3 t -164.74 172.89 12.45 Favored 'General case' 0 N--CA 1.519 2.997 0 O-C-N 117.256 -3.403 . . . . 0.0 109.17 -173.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 76.1 p -150.78 135.07 16.98 Favored 'General case' 0 C--O 1.279 2.625 0 C-N-CA 126.863 2.065 . . . . 0.0 105.85 177.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.952 0 O-C-N 125.985 2.053 . . . . 0.0 112.741 -160.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 203' ' ' SGN . . . . . 0.537 ' H3 ' ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.7 mtp85 . . . . . 0 CA--C 1.569 1.681 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -46.92 159.15 0.35 Allowed 'Trans proline' 0 N--CA 1.43 -2.256 1 C-N-CA 128.291 5.994 . . . . 0.0 115.323 152.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.274 21.2 Cg_exo -57.24 -22.25 47.83 Favored 'Trans proline' 0 N--CA 1.448 -1.165 0 C-N-CA 124.453 3.435 . . . . 0.0 115.666 -173.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -132.06 -12.85 3.21 Favored 'General case' 0 N--CA 1.516 2.825 0 CA-C-N 123.621 2.919 . . . . 0.0 113.855 176.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -126.9 179.92 5.15 Favored 'General case' 0 C--O 1.19 -2.071 0 O-C-N 117.88 -3.012 . . . . 0.0 111.038 -176.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.7 p -79.29 167.66 20.61 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.088 -1.632 . . . . 0.0 110.753 152.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -64.04 -51.8 62.43 Favored 'General case' 0 N--CA 1.498 1.973 0 CA-C-O 123.441 1.591 . . . . 0.0 111.836 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.2 -43.37 98.37 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.527 -1.358 . . . . 0.0 110.268 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -63.29 -37.83 88.77 Favored 'General case' 0 CA--C 1.558 1.269 0 O-C-N 118.251 -2.78 . . . . 0.0 116.068 175.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.7 t-105 -56.59 -39.63 73.86 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 121.669 3.951 . . . . 0.0 121.669 165.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -52.49 -48.99 65.61 Favored 'General case' 0 C--O 1.249 1.028 0 C-N-CA 126.641 1.976 . . . . 0.0 112.702 161.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.4 -44.23 96.95 Favored 'General case' 0 N--CA 1.405 -2.712 0 O-C-N 119.242 -2.161 . . . . 0.0 112.302 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 52.3 mt -58.24 -27.55 32.73 Favored 'Isoleucine or valine' 0 C--N 1.401 2.815 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . 0.264 56.3 mt-30 -99.79 -22.61 15.28 Favored 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 174.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -133.23 2.43 3.58 Favored 'General case' 0 C--N 1.378 1.815 0 CA-C-O 114.446 -2.692 . . . . 0.0 116.464 -168.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.8 mm -128.51 127.8 67.36 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-O 124.388 2.042 . . . . 0.0 106.468 -178.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.7 m -169.8 120.77 0.67 Allowed 'General case' 0 CA--C 1.479 -1.786 0 O-C-N 119.923 -1.736 . . . . 0.0 113.04 178.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 tp -67.53 -28.29 67.68 Favored 'General case' 0 C--N 1.389 2.297 0 N-CA-C 118.622 2.823 . . . . 0.0 118.622 -178.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -150.73 73.95 8.72 Favored Pre-proline 0 CA--C 1.56 1.347 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -67.09 151.14 82.14 Favored 'Trans proline' 0 CA--C 1.565 2.032 0 O-C-N 125.628 2.383 . . . . 0.0 109.05 -163.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -70.51 179.47 4.08 Favored 'Trans proline' 0 C--O 1.281 2.629 0 C-N-CA 124.336 3.357 . . . . 0.0 108.553 -173.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 46.3 mmt-85 -50.0 137.23 17.46 Favored 'General case' 0 N--CA 1.531 3.579 1 O-C-N 115.606 -4.434 . . . . 0.0 111.357 163.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.474 ' SG ' ' HA ' ' A' ' 100' ' ' ASP . 95.7 m -53.66 -25.3 17.39 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 116.982 -3.573 . . . . 0.0 114.705 175.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.3 p -60.68 -29.0 69.04 Favored 'General case' 0 C--O 1.259 1.558 0 CA-C-O 115.293 -2.289 . . . . 0.0 109.593 169.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.4 mm -94.87 -37.47 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.265 0 CA-C-N 122.788 2.54 . . . . 0.0 111.264 167.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.44 -42.24 98.66 Favored 'General case' 0 C--N 1.28 -2.417 0 CA-C-N 121.292 1.86 . . . . 0.0 111.115 -171.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.477 ' HG3' ' CD1' ' A' ' 98' ' ' TYR . 71.7 mmm -61.14 -32.12 71.83 Favored 'General case' 0 C--N 1.312 -1.059 0 O-C-N 117.263 -3.398 . . . . 0.0 110.488 -177.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -51.48 -21.85 2.71 Favored 'General case' 0 N--CA 1.414 -2.264 0 C-N-CA 124.896 1.278 . . . . 0.0 111.283 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.83 -7.04 4.33 Favored 'General case' 0 C--O 1.278 2.56 0 O-C-N 117.39 -3.319 . . . . 0.0 114.571 175.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -137.89 -39.97 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 CA-C-N 114.386 -1.279 . . . . 0.0 112.274 171.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -74.64 -18.37 60.55 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.962 1.305 . . . . 0.0 113.426 -176.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.425 1.8 m120 -100.19 6.57 44.79 Favored 'General case' 0 C--O 1.212 -0.885 0 C-N-CA 127.957 2.503 . . . . 0.0 115.841 166.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -128.9 9.19 5.79 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-O 122.356 1.074 . . . . 0.0 112.522 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -136.07 161.39 35.83 Favored 'General case' 0 C--N 1.289 -2.049 0 O-C-N 118.44 -2.663 . . . . 0.0 107.514 175.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 -65.46 -21.78 66.68 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 119.116 -2.24 . . . . 0.0 114.687 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 70.6 mtt180 -134.36 166.05 23.74 Favored 'General case' 0 C--O 1.191 -2.005 0 CA-C-N 119.914 1.234 . . . . 0.0 113.681 172.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.6 m -67.24 120.95 14.63 Favored 'General case' 0 C--O 1.269 2.093 0 CA-C-N 113.546 -1.661 . . . . 0.0 110.858 170.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.469 ' HE2' ' H3 ' ' A' ' 203' ' ' SGN . 17.7 tttt -75.04 137.65 41.63 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 127.858 2.463 . . . . 0.0 113.821 160.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -65.8 -40.58 92.03 Favored 'General case' 0 CA--C 1.558 1.27 0 N-CA-C 119.234 3.049 . . . . 0.0 119.234 -178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -136.67 157.29 47.12 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-N 124.085 3.129 . . . . 0.0 112.281 177.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -151.83 152.7 32.98 Favored 'General case' 0 N--CA 1.526 3.351 0 CA-C-N 121.913 2.142 . . . . 0.0 115.272 155.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.2 m -114.96 148.82 38.25 Favored 'General case' 0 C--O 1.275 2.427 0 C-N-CA 125.173 1.389 . . . . 0.0 111.184 176.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -132.02 120.2 22.09 Favored 'General case' 0 N--CA 1.432 -1.348 0 C-N-CA 128.314 2.646 . . . . 0.0 110.709 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.5 mt -86.66 131.08 34.25 Favored 'General case' 0 N--CA 1.419 -2.01 0 C-N-CA 126.416 1.887 . . . . 0.0 111.747 178.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -91.75 51.13 1.8 Allowed 'General case' 0 C--O 1.253 1.287 0 C-N-CA 127.287 2.235 . . . . 0.0 112.292 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -139.02 165.47 27.03 Favored 'General case' 0 C--O 1.278 2.597 0 O-C-N 120.28 -1.513 . . . . 0.0 110.347 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.0 p -78.68 156.23 29.07 Favored 'General case' 0 C--O 1.197 -1.66 0 CA-C-N 122.056 2.207 . . . . 0.0 109.681 -167.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -61.51 -45.37 94.49 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 119.049 -1.061 . . . . 0.0 110.868 -170.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.88 -26.6 64.41 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-O 115.193 -2.337 . . . . 0.0 113.03 175.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -68.25 -31.87 71.65 Favored 'General case' 0 CA--C 1.583 2.227 0 C-N-CA 114.749 -2.78 . . . . 0.0 113.056 171.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.8 t -74.52 -30.08 24.94 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.913 0 C-N-CA 118.638 -1.225 . . . . 0.0 110.632 177.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.76 -40.5 81.54 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 CA-C-O 116.056 -1.926 . . . . 0.0 109.525 169.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -54.58 -30.88 55.71 Favored 'General case' 0 C--O 1.201 -1.483 0 CA-C-N 119.97 1.259 . . . . 0.0 112.571 170.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.4 t -81.58 -33.28 12.2 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.754 0 O-C-N 119.25 -2.156 . . . . 0.0 106.111 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 38.9 m -57.0 -14.66 3.81 Favored 'General case' 0 CA--C 1.573 1.838 0 N-CA-C 118.2 2.667 . . . . 0.0 118.2 161.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -81.47 -26.27 51.73 Favored Glycine 0 N--CA 1.504 3.193 0 C-N-CA 128.428 2.918 . . . . 0.0 116.749 171.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -67.29 156.78 35.53 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 128.574 2.75 . . . . 0.0 112.408 172.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -63.72 -179.57 0.39 Allowed 'General case' 0 CA--C 1.494 -1.184 0 CA-C-O 116.132 -1.889 . . . . 0.0 112.577 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 m -123.27 155.86 36.37 Favored 'General case' 0 CA--C 1.616 3.484 0 N-CA-C 116.69 2.107 . . . . 0.0 116.69 -167.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 pt -134.0 175.36 11.41 Favored 'Isoleucine or valine' 0 C--O 1.285 2.924 1 C-N-CA 131.887 4.075 . . . . 0.0 111.206 170.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -117.01 158.4 24.2 Favored 'General case' 0 CA--C 1.579 2.086 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 170.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 54.9 m -134.93 163.06 53.93 Favored Pre-proline 0 N--CA 1.508 2.434 0 C-N-CA 127.27 2.228 . . . . 0.0 112.732 -163.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . 0.308 31.5 Cg_exo -57.53 -18.72 33.45 Favored 'Trans proline' 0 C--N 1.372 1.796 0 N-CA-C 119.581 2.877 . . . . 0.0 119.581 -167.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -146.5 35.46 0.96 Allowed 'General case' 0 C--O 1.177 -2.725 0 CA-C-O 127.618 3.58 . . . . 0.0 115.55 -163.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -118.87 19.13 13.16 Favored 'General case' 0 N--CA 1.512 2.65 0 O-C-N 118.529 -2.607 . . . . 0.0 113.052 -152.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.1 ptt-85 -59.18 -42.49 90.95 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-O 115.816 -2.04 . . . . 0.0 110.601 -166.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.5 p -62.47 4.67 0.14 Allowed 'General case' 0 CA--C 1.611 3.309 0 CA-C-O 113.91 -2.948 . . . . 0.0 117.173 178.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -147.79 -14.4 0.37 Allowed 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 121.258 1.844 . . . . 0.0 112.748 163.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 32.4 t30 46.82 41.02 9.88 Favored 'General case' 0 CA--C 1.58 2.128 0 CA-C-N 121.831 2.105 . . . . 0.0 115.48 -173.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -158.69 123.54 4.2 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 111.898 -2.41 . . . . 0.0 115.283 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.3 p -135.18 175.76 9.28 Favored 'General case' 0 C--O 1.272 2.262 0 C-N-CA 126.689 1.996 . . . . 0.0 107.801 164.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -147.67 145.36 28.89 Favored 'General case' 0 N--CA 1.498 1.954 0 CA-C-O 116.291 -1.814 . . . . 0.0 109.695 -171.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -123.48 152.31 41.83 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 125.257 1.423 . . . . 0.0 110.832 -175.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.0 p -79.11 160.6 26.98 Favored 'General case' 0 N--CA 1.5 2.048 0 C-N-CA 124.477 1.111 . . . . 0.0 113.133 -169.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -91.52 -11.18 38.14 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 117.579 -3.201 . . . . 0.0 109.193 -177.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -153.39 160.85 42.72 Favored 'General case' 0 C--O 1.208 -1.108 0 CA-C-N 120.751 1.614 . . . . 0.0 111.133 -174.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 32.4 mtm180 -67.65 146.57 53.7 Favored 'General case' 0 C--O 1.189 -2.115 0 O-C-N 118.912 -2.367 . . . . 0.0 109.369 175.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.7 m -129.69 155.36 80.48 Favored Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 119.998 -1.689 . . . . 0.0 113.309 165.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -68.26 165.93 27.01 Favored 'Trans proline' 0 CA--C 1.546 1.081 0 N-CA-C 107.048 -1.943 . . . . 0.0 107.048 171.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 pp -165.53 158.39 15.69 Favored 'General case' 0 N--CA 1.504 2.25 1 O-C-N 132.861 6.351 . . . . 0.0 111.506 -167.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 102' ' ' PRO 0.28 47.0 tp -121.54 127.97 51.53 Favored 'General case' 0 C--O 1.191 -2.009 0 O-C-N 125.676 1.86 . . . . 0.0 110.602 156.896 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -97.12 158.41 15.45 Favored 'General case' 0 C--O 1.182 -2.463 0 O-C-N 118.085 -2.884 . . . . 0.0 113.512 157.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 77.1 m -145.62 141.86 28.55 Favored 'General case' 0 C--O 1.183 -2.396 0 C-N-CA 127.436 2.294 . . . . 0.0 112.966 -169.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -148.04 117.94 7.17 Favored 'General case' 0 CA--C 1.581 2.14 0 CA-C-N 113.617 -1.629 . . . . 0.0 114.776 -150.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.0 tp -66.71 80.77 0.1 Allowed 'General case' 0 CA--C 1.603 3.008 0 C-N-CA 124.642 1.177 . . . . 0.0 110.816 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 46.0 pt -52.55 -19.91 1.84 Allowed 'Isoleucine or valine' 0 C--O 1.189 -2.105 0 N-CA-C 117.43 2.381 . . . . 0.0 117.43 -169.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -117.53 99.97 52.55 Favored Pre-proline 0 N--CA 1.49 1.554 0 CA-C-O 115.896 -2.002 . . . . 0.0 105.647 159.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . 0.284 35.2 Cg_exo -54.41 -29.47 58.87 Favored 'Trans proline' 1 N--CA 1.393 -4.432 0 C-N-CA 122.144 1.896 . . . . 0.0 114.789 173.576 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -57.8 22.08 0.02 OUTLIER Glycine 0 C--O 1.192 -2.483 1 C-N-CA 131.442 4.353 . . . . 0.0 114.866 172.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -132.5 137.84 47.33 Favored 'General case' 0 CA--C 1.568 1.648 0 CA-C-N 122.737 3.268 . . . . 0.0 115.254 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -130.38 -3.44 4.34 Favored 'General case' 0 C--N 1.379 1.87 0 N-CA-C 116.677 2.103 . . . . 0.0 116.677 177.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -120.77 130.29 53.96 Favored 'General case' 0 N--CA 1.404 -2.758 0 O-C-N 116.467 -3.896 . . . . 0.0 106.995 -175.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.292 21.8 pt -49.34 -23.12 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 N-CA-C 116.361 1.986 . . . . 0.0 116.361 176.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.0 p -59.16 -12.52 5.29 Favored 'General case' 0 CA--C 1.576 1.959 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 167.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -145.23 -17.35 0.49 Allowed 'General case' 0 N--CA 1.472 0.672 0 O-C-N 127.325 2.891 . . . . 0.0 115.504 -176.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 65.6 m -56.32 145.63 26.44 Favored 'General case' 0 C--N 1.406 3.046 0 O-C-N 119.335 -2.103 . . . . 0.0 111.459 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -141.22 149.64 41.64 Favored 'General case' 0 N--CA 1.506 2.346 0 O-C-N 126.208 2.192 . . . . 0.0 111.089 -174.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.477 ' CD1' ' HG3' ' A' ' 27' ' ' MET . 58.0 m-85 -140.0 -179.02 5.72 Favored 'General case' 0 C--O 1.277 2.525 0 N-CA-C 117.678 2.473 . . . . 0.0 117.678 -168.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -176.24 157.22 1.74 Allowed 'General case' 0 C--N 1.387 2.208 0 CA-C-O 124.34 2.019 . . . . 0.0 110.126 170.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.474 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -81.9 145.02 30.56 Favored 'General case' 0 C--O 1.289 3.16 0 N-CA-C 119.278 3.066 . . . . 0.0 119.278 -173.499 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -148.18 80.24 8.69 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 118.362 -2.711 . . . . 0.0 105.562 177.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.493 ' HA ' ' HA ' ' A' ' 81' ' ' LEU . 57.8 Cg_endo -69.87 176.55 6.7 Favored 'Trans proline' 0 CA--C 1.49 -1.685 0 C-N-CA 123.838 3.025 . . . . 0.0 111.32 177.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 169.23 -170.37 42.51 Favored Glycine 0 C--N 1.392 3.642 0 CA-C-N 122.34 2.336 . . . . 0.0 115.962 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -145.22 120.19 10.01 Favored 'General case' 0 N--CA 1.432 -1.371 0 O-C-N 117.482 -3.364 . . . . 0.0 109.251 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 66.6 mtm-85 -150.34 172.64 15.08 Favored 'General case' 0 CA--C 1.466 -2.254 0 CA-C-N 121.065 1.757 . . . . 0.0 109.297 -178.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . 0.323 58.0 m-85 -72.89 178.68 4.11 Favored 'General case' 0 C--N 1.267 -3.01 0 O-C-N 118.257 -2.777 . . . . 0.0 112.828 157.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -138.64 156.96 46.98 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 126.802 2.041 . . . . 0.0 110.178 176.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.3 t -121.0 139.65 47.57 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.235 0 C-N-CA 127.58 2.352 . . . . 0.0 107.747 166.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.0 m -139.15 167.64 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 O-C-N 118.24 -2.787 . . . . 0.0 108.115 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -124.73 154.64 40.55 Favored 'General case' 0 CA--C 1.468 -2.203 0 CA-C-O 125.95 2.786 . . . . 0.0 104.842 166.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 86.2 m -144.99 170.09 16.83 Favored 'General case' 0 C--O 1.253 1.271 0 CA-C-N 112.606 -2.088 . . . . 0.0 110.182 -164.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -161.14 163.09 31.55 Favored 'General case' 0 N--CA 1.514 2.764 0 C-N-CA 129.552 3.141 . . . . 0.0 108.138 -172.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -42.03 154.36 0.05 Allowed 'General case' 0 CA--C 1.586 2.35 0 O-C-N 127.085 2.741 . . . . 0.0 107.534 160.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -68.85 158.59 34.17 Favored 'General case' 0 CA--C 1.494 -1.175 0 CA-C-O 124.984 2.326 . . . . 0.0 112.773 174.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -60.1 144.25 87.22 Favored Pre-proline 0 C--N 1.276 -2.605 0 O-C-N 119.657 -1.902 . . . . 0.0 115.994 172.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 99.7 Cg_exo -59.76 0.54 0.58 Allowed 'Trans proline' 0 CA--C 1.557 1.669 0 N-CA-C 118.084 2.302 . . . . 0.0 118.084 174.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -148.59 -3.64 0.46 Allowed 'General case' 0 C--O 1.199 -1.586 0 CA-C-N 122.031 2.196 . . . . 0.0 111.103 -170.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -133.92 139.82 46.4 Favored 'General case' 0 N--CA 1.519 2.976 0 O-C-N 120.134 -1.604 . . . . 0.0 114.892 -171.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.2 m 46.87 53.39 13.57 Favored Pre-proline 0 C--O 1.204 -1.297 0 N-CA-C 116.726 2.121 . . . . 0.0 116.726 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -56.6 -5.28 1.09 Allowed 'Trans proline' 0 N--CA 1.497 1.716 0 O-C-N 117.52 -1.884 . . . . 0.0 115.152 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.7 tpt85 -70.96 -10.59 59.99 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 128.659 2.784 . . . . 0.0 117.272 -168.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.14 143.74 17.97 Favored Pre-proline 0 CA--C 1.472 -2.036 0 C-N-CA 125.755 1.622 . . . . 0.0 114.577 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -76.12 -35.04 2.57 Favored 'Trans proline' 0 C--N 1.387 2.576 0 CA-C-O 115.575 -1.927 . . . . 0.0 113.57 -163.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 12.6 m -131.86 156.95 43.02 Favored 'Isoleucine or valine' 0 C--O 1.262 1.728 0 C-N-CA 125.969 1.708 . . . . 0.0 115.02 178.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 17.4 m -144.82 149.66 43.71 Favored Pre-proline 1 N--CA 1.539 4.015 0 C-N-CA 127.77 2.428 . . . . 0.0 109.697 -169.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -83.29 144.32 11.59 Favored 'Trans proline' 0 N--CA 1.526 3.396 0 N-CA-C 104.703 -2.845 . . . . 0.0 104.703 -176.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . 0.274 14.3 m -123.98 -12.97 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 CA-C-N 115.049 -0.978 . . . . 0.0 113.278 -174.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -155.71 135.09 12.36 Favored 'General case' 0 C--O 1.247 0.937 0 CA-C-O 114.285 -2.769 . . . . 0.0 113.474 -173.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 21.2 tp -85.58 120.44 27.03 Favored 'General case' 0 CA--C 1.494 -1.18 0 CA-C-N 123.559 2.89 . . . . 0.0 108.139 164.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -90.84 -42.37 10.68 Favored 'General case' 0 CA--C 1.563 1.467 0 CA-C-N 123.647 2.93 . . . . 0.0 108.638 -176.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 9.2 t -170.11 166.31 9.08 Favored 'General case' 0 N--CA 1.499 1.985 0 C-N-CA 123.978 0.911 . . . . 0.0 111.356 -175.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.3 p -138.69 121.88 16.93 Favored 'General case' 0 C--N 1.284 -2.244 0 C-N-CA 130.254 3.422 . . . . 0.0 112.254 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.48 -1.713 0 N-CA-C 121.158 3.762 . . . . 0.0 121.158 -159.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 203' ' ' SGN . . . . . 0.469 ' H3 ' ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 . . . . . 0 C--O 1.266 1.95 0 N-CA-C 105.758 -1.941 . . . . 0.0 105.758 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -42.79 136.12 4.75 Favored 'Trans proline' 0 CA--C 1.562 1.91 0 C-N-CA 124.491 3.461 . . . . 0.0 118.159 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -36.93 -16.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.5 1.901 1 C-N-CA 126.056 4.504 . . . . 0.0 119.236 174.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 5' ' ' PHE . 33.8 mt-30 -146.72 -10.77 0.46 Allowed 'General case' 0 C--N 1.406 3.063 0 CA-C-O 116.772 -1.585 . . . . 0.0 110.455 171.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 4' ' ' GLN . 22.8 m-85 -142.26 175.27 9.89 Favored 'General case' 0 CA--C 1.605 3.06 2 CA-C-N 127.679 4.763 . . . . 0.0 111.014 -168.563 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.6 p -78.99 159.03 27.83 Favored 'General case' 0 C--O 1.28 2.694 0 O-C-N 120.864 -1.148 . . . . 0.0 109.264 161.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -50.17 -49.18 53.12 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 118.004 -2.935 . . . . 0.0 113.52 165.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.77 -44.06 73.32 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 126.908 2.083 . . . . 0.0 110.736 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -79.95 -39.23 30.64 Favored 'General case' 0 C--O 1.197 -1.707 0 O-C-N 118.805 -2.434 . . . . 0.0 111.82 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.0 t-105 -55.05 -42.75 73.07 Favored 'General case' 0 N--CA 1.419 -2.014 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 167.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -54.85 -40.9 70.12 Favored 'General case' 0 CA--C 1.594 2.658 0 O-C-N 117.792 -3.068 . . . . 0.0 111.563 164.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.89 -33.49 39.88 Favored 'General case' 0 N--CA 1.427 -1.61 0 CA-C-N 123.677 2.944 . . . . 0.0 112.637 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.4 mt -60.54 -27.61 40.66 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.416 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 170.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -88.54 -23.54 23.14 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 172.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -144.06 -14.21 0.62 Allowed 'General case' 0 CA--C 1.572 1.819 0 CA-C-N 124.041 3.109 . . . . 0.0 111.287 -155.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.6 mm -134.46 125.47 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.017 -1.052 . . . . 0.0 112.349 -171.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . 0.356 13.4 m -164.41 154.08 13.92 Favored 'General case' 0 CA--C 1.48 -1.714 0 C-N-CA 126.937 2.095 . . . . 0.0 108.694 167.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.1 tp -86.22 -24.32 26.1 Favored 'General case' 0 C--O 1.181 -2.547 0 O-C-N 127.209 2.818 . . . . 0.0 116.454 -169.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -142.25 101.76 5.68 Favored Pre-proline 0 C--N 1.299 -1.624 0 C-N-CA 130.298 3.439 . . . . 0.0 109.185 146.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -73.41 163.77 36.84 Favored 'Trans proline' 0 C--N 1.381 2.245 0 CA-C-O 117.609 -1.08 . . . . 0.0 109.497 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -48.89 168.18 0.11 Allowed 'Trans proline' 1 C--N 1.437 5.202 1 C-N-CA 127.49 5.46 . . . . 0.0 116.541 163.222 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -65.03 155.15 35.62 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.265 -1.522 . . . . 0.0 109.598 155.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 81.6 m -55.42 -27.01 45.16 Favored 'General case' 0 C--O 1.26 1.638 0 CA-C-N 113.418 -1.719 . . . . 0.0 113.386 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.9 p -53.17 -31.59 43.47 Favored 'General case' 0 N--CA 1.509 2.509 0 N-CA-C 116.061 1.875 . . . . 0.0 116.061 172.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.0 mm -106.46 -53.44 6.68 Favored 'Isoleucine or valine' 1 C--O 1.15 -4.15 0 CA-C-N 111.757 -2.474 . . . . 0.0 110.373 177.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.26 -48.15 1.78 Allowed 'General case' 0 N--CA 1.424 -1.746 0 C-N-CA 129.502 3.121 . . . . 0.0 110.273 176.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 78.5 mmm -62.47 -36.17 81.63 Favored 'General case' 0 C--O 1.185 -2.309 0 C-N-CA 126.75 2.02 . . . . 0.0 111.769 -175.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.6 mtt-85 -57.97 -21.86 46.49 Favored 'General case' 0 N--CA 1.419 -2.021 0 O-C-N 119.958 -1.714 . . . . 0.0 110.497 -178.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.91 -8.18 0.93 Allowed 'General case' 0 C--N 1.284 -2.262 0 CA-C-N 124.225 3.193 . . . . 0.0 116.881 170.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.1 pt -142.36 -38.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.81 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -69.76 -23.07 63.32 Favored 'General case' 0 C--N 1.28 -2.414 0 CA-C-O 123.247 1.499 . . . . 0.0 109.809 -174.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -113.66 4.64 16.15 Favored 'General case' 0 CA--C 1.588 2.405 0 CA-C-O 115.778 -2.058 . . . . 0.0 112.801 -176.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -125.04 -36.6 2.52 Favored 'General case' 0 C--O 1.184 -2.352 0 O-C-N 126.643 2.464 . . . . 0.0 116.739 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -77.75 163.15 26.39 Favored 'General case' 0 N--CA 1.427 -1.583 0 O-C-N 117.837 -3.039 . . . . 0.0 113.2 152.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -64.94 -16.52 63.42 Favored 'General case' 0 CA--C 1.573 1.864 0 C-N-CA 126.394 1.878 . . . . 0.0 115.826 -171.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -143.41 164.41 30.38 Favored 'General case' 0 CA--C 1.454 -2.727 0 C-N-CA 125.174 1.39 . . . . 0.0 112.748 176.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 59.9 m -66.72 122.96 18.8 Favored 'General case' 1 N--CA 1.546 4.359 0 C-N-CA 130.033 3.333 . . . . 0.0 111.311 173.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.434 ' HE2' ' H3 ' ' A' ' 203' ' ' SGN . 66.8 tttt -70.2 135.84 49.45 Favored 'General case' 0 C--N 1.271 -2.806 0 CA-C-O 117.439 -1.267 . . . . 0.0 111.107 167.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -75.63 -33.97 60.52 Favored 'General case' 0 C--O 1.206 -1.202 0 O-C-N 127.715 3.134 . . . . 0.0 112.828 -177.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -132.42 161.08 34.56 Favored 'General case' 0 CA--C 1.592 2.571 0 CA-C-N 124.261 3.21 . . . . 0.0 109.24 171.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -152.76 170.39 20.42 Favored 'General case' 1 N--CA 1.553 4.713 0 O-C-N 118.418 -2.676 . . . . 0.0 110.584 157.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.1 m -145.68 139.85 26.86 Favored 'General case' 0 C--O 1.244 0.767 0 N-CA-C 103.745 -2.687 . . . . 0.0 103.745 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -124.41 129.01 49.91 Favored 'General case' 0 C--N 1.288 -2.084 0 C-N-CA 126.47 1.908 . . . . 0.0 109.741 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 mp -108.17 153.2 23.52 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 122.788 2.54 . . . . 0.0 111.058 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -101.93 61.81 0.89 Allowed 'General case' 0 C--O 1.265 1.894 0 C-N-CA 128.318 2.647 . . . . 0.0 113.763 -175.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.1 t -141.39 152.47 44.36 Favored 'General case' 0 C--O 1.19 -2.074 0 C-N-CA 128.601 2.761 . . . . 0.0 110.54 176.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.3 p -61.46 144.73 53.68 Favored 'General case' 0 N--CA 1.501 2.089 0 C-N-CA 129.594 3.158 . . . . 0.0 111.947 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -48.17 -42.95 31.06 Favored 'General case' 0 C--O 1.262 1.741 0 CA-C-O 114.399 -2.715 . . . . 0.0 110.48 160.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.83 -36.99 63.13 Favored 'General case' 0 C--O 1.275 2.444 0 O-C-N 126.727 2.517 . . . . 0.0 115.728 176.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.257 22.4 t-20 -67.91 -38.94 83.58 Favored 'General case' 0 C--O 1.258 1.55 0 N-CA-C 117.365 2.357 . . . . 0.0 117.365 168.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.2 t -62.77 -50.77 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.862 0 CA-C-O 115.716 -2.088 . . . . 0.0 109.025 173.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 42.6 t -54.64 -37.03 37.97 Favored 'Isoleucine or valine' 0 C--N 1.368 1.408 0 C-N-CA 128.906 2.882 . . . . 0.0 111.817 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -62.14 -53.68 51.94 Favored 'General case' 0 C--O 1.263 1.811 0 O-C-N 128.462 3.601 . . . . 0.0 111.218 170.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.1 t -57.34 -37.16 55.55 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.682 0 C-N-CA 126.841 2.056 . . . . 0.0 111.752 176.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 71.2 m -61.3 -18.0 56.39 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-O 114.399 -2.715 . . . . 0.0 112.792 172.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.45 -11.9 49.92 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 125.347 1.654 . . . . 0.0 115.884 173.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -48.97 162.85 0.1 Allowed 'General case' 0 CA--C 1.593 2.618 0 O-C-N 117.83 -3.159 . . . . 0.0 110.024 161.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -57.14 156.92 6.56 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-O 127.49 3.519 . . . . 0.0 110.342 -174.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.8 m -102.93 138.17 40.17 Favored 'General case' 0 N--CA 1.483 1.191 0 O-C-N 117.181 -3.449 . . . . 0.0 110.006 -172.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 9.1 pt -134.73 -172.57 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.715 0 C-N-CA 126.435 1.894 . . . . 0.0 112.557 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.9 ptt-85 -122.0 160.27 25.26 Favored 'General case' 0 C--O 1.255 1.382 0 CA-C-N 120.366 1.439 . . . . 0.0 114.743 166.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 90.7 m -134.56 169.6 13.43 Favored Pre-proline 0 C--N 1.285 -2.202 0 O-C-N 125.93 2.019 . . . . 0.0 110.875 -170.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -62.39 -34.7 75.97 Favored 'Trans proline' 0 N--CA 1.422 -2.7 0 N-CA-C 116.594 1.728 . . . . 0.0 116.594 -169.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 50.4 m170 -122.53 53.34 1.26 Allowed 'General case' 0 CA--C 1.561 1.395 0 CA-C-O 126.639 3.114 . . . . 0.0 111.901 -170.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -134.57 -2.29 2.73 Favored 'General case' 0 C--O 1.267 1.99 1 O-C-N 114.32 -5.237 . . . . 0.0 114.401 -142.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . 0.258 38.8 ptt180 -52.69 -36.03 56.51 Favored 'General case' 0 CA--C 1.556 1.202 0 N-CA-C 118.806 2.891 . . . . 0.0 118.806 -172.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 62.8 p -81.64 -3.24 52.95 Favored 'General case' 0 CA--C 1.483 -1.621 0 C-N-CA 129.592 3.157 . . . . 0.0 112.619 -166.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.301 2.7 pt? -134.19 -17.24 2.11 Favored 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 115.528 -2.177 . . . . 0.0 112.81 159.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.271 59.8 t30 31.59 46.52 0.05 Allowed 'General case' 0 CA--C 1.586 2.354 0 C-N-CA 127.091 2.156 . . . . 0.0 112.551 -167.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -149.8 125.95 10.67 Favored 'General case' 0 CA--C 1.571 1.755 0 O-C-N 128.082 3.364 . . . . 0.0 108.403 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 32.0 p -148.87 162.47 39.77 Favored 'General case' 0 N--CA 1.496 1.862 1 O-C-N 116.201 -4.062 . . . . 0.0 112.43 169.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -140.18 150.18 43.88 Favored 'General case' 0 N--CA 1.508 2.47 1 O-C-N 115.594 -4.441 . . . . 0.0 109.178 -171.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -126.61 140.84 52.12 Favored 'General case' 0 CA--C 1.615 3.462 0 C-N-CA 125.997 1.719 . . . . 0.0 110.886 -173.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 51.3 p -56.43 141.92 40.46 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 117.81 2.522 . . . . 0.0 117.81 -177.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.9 mtt-85 -75.53 -10.68 59.66 Favored 'General case' 0 N--CA 1.532 3.658 0 CA-C-N 110.233 -3.167 . . . . 0.0 109.922 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -162.71 166.29 24.57 Favored 'General case' 0 N--CA 1.514 2.73 0 C-N-CA 131.366 3.866 . . . . 0.0 114.751 -176.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 -77.93 158.08 29.5 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.591 1.956 . . . . 0.0 107.424 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.0 m -135.7 152.25 75.75 Favored Pre-proline 0 C--O 1.276 2.451 0 O-C-N 119.582 -1.949 . . . . 0.0 107.712 176.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -63.76 145.04 90.47 Favored 'Trans proline' 0 CA--C 1.473 -2.57 0 C-N-CA 121.887 1.725 . . . . 0.0 110.323 167.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 pp -154.66 175.52 13.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 117.467 -3.271 . . . . 0.0 108.721 -174.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.9 tp -149.51 112.27 4.8 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-O 127.179 3.371 . . . . 0.0 106.906 -175.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -86.68 151.09 23.71 Favored 'General case' 0 C--N 1.384 2.07 0 C-N-CA 129.511 3.125 . . . . 0.0 108.873 173.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 99.2 m -137.75 142.5 40.95 Favored 'General case' 0 N--CA 1.508 2.439 0 CA-C-N 111.859 -2.428 . . . . 0.0 111.355 -178.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . 0.271 13.8 t0 -139.55 154.09 47.57 Favored 'General case' 0 CA--C 1.568 1.672 0 CA-C-N 113.98 -1.464 . . . . 0.0 114.061 -171.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.9 tp -103.78 138.77 39.93 Favored 'General case' 0 C--O 1.304 3.941 0 N-CA-C 104.625 -2.361 . . . . 0.0 104.625 -169.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.332 1.2 pp -81.82 -23.95 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.136 0 O-C-N 119.657 -1.902 . . . . 0.0 112.136 -173.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -123.3 83.83 52.08 Favored Pre-proline 0 CA--C 1.493 -1.212 0 O-C-N 118.979 -2.326 . . . . 0.0 111.225 -172.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . 0.25 26.3 Cg_exo -47.67 19.98 0.01 OUTLIER 'Trans proline' 0 N--CA 1.515 2.783 1 C-N-CA 127.193 5.262 . . . . 0.0 120.148 177.905 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -133.86 -10.43 1.79 Allowed Glycine 0 C--O 1.193 -2.409 0 C-N-CA 127.795 2.617 . . . . 0.0 115.785 170.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.03 133.56 55.48 Favored 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 126.444 1.897 . . . . 0.0 111.593 164.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -141.96 -4.22 1.07 Allowed 'General case' 0 CA--C 1.593 2.622 0 CA-C-O 113.804 -2.998 . . . . 0.0 111.73 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -115.75 136.45 53.04 Favored 'General case' 0 CA--C 1.562 1.442 0 CA-C-N 125.035 3.561 . . . . 0.0 111.405 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 29.1 pt -48.9 -37.59 9.39 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.875 0 C-N-CA 129.285 3.034 . . . . 0.0 113.011 -175.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.2 p -51.49 -19.2 1.33 Allowed 'General case' 0 N--CA 1.508 2.454 0 O-C-N 116.729 -3.732 . . . . 0.0 116.297 165.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -137.82 -22.28 1.09 Allowed 'General case' 0 CA--C 1.59 2.485 0 CA-C-N 121.125 1.784 . . . . 0.0 114.004 -165.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 77.7 m -69.47 132.31 46.12 Favored 'General case' 0 C--O 1.278 2.583 0 C-N-CA 128.423 2.689 . . . . 0.0 115.766 173.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -139.7 153.56 47.26 Favored 'General case' 0 C--N 1.386 2.183 0 C-N-CA 128.049 2.539 . . . . 0.0 109.182 -177.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -128.29 166.19 19.09 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 116.958 2.207 . . . . 0.0 116.958 -169.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -148.95 159.3 44.33 Favored 'General case' 0 N--CA 1.513 2.679 0 N-CA-C 107.038 -1.468 . . . . 0.0 107.038 170.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -85.9 146.69 26.6 Favored 'General case' 0 CA--C 1.488 -1.405 0 C-N-CA 129.86 3.264 . . . . 0.0 112.841 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -141.66 75.43 21.87 Favored Pre-proline 0 C--N 1.352 0.697 0 O-C-N 118.825 -2.422 . . . . 0.0 107.573 167.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -58.4 157.8 25.21 Favored 'Trans proline' 0 C--N 1.398 3.169 0 N-CA-C 117.332 2.012 . . . . 0.0 117.332 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -166.46 -175.93 37.16 Favored Glycine 0 C--N 1.369 2.364 0 N-CA-C 120.343 2.897 . . . . 0.0 120.343 -173.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -151.92 103.98 2.96 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 127.296 2.239 . . . . 0.0 113.979 172.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 59.8 mtm-85 -138.57 166.16 25.03 Favored 'General case' 0 N--CA 1.52 3.05 0 O-C-N 118.458 -2.651 . . . . 0.0 114.741 -175.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -70.18 167.03 18.73 Favored 'General case' 0 N--CA 1.519 2.978 0 CA-C-N 120.191 1.36 . . . . 0.0 109.208 164.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -139.17 160.41 39.86 Favored 'General case' 0 C--N 1.381 1.937 1 O-C-N 114.669 -5.019 . . . . 0.0 117.249 177.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 25.2 t -132.78 133.99 58.76 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 CA-C-N 109.905 -3.316 . . . . 0.0 110.231 -174.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.5 m -136.34 147.16 27.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 124.744 1.278 . . . . 0.0 112.298 -173.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -95.23 157.77 15.75 Favored 'General case' 0 N--CA 1.521 3.088 0 O-C-N 118.131 -2.855 . . . . 0.0 108.902 158.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 30.4 m -150.25 143.9 25.25 Favored 'General case' 0 CA--C 1.584 2.254 0 C-N-CA 128.578 2.751 . . . . 0.0 111.519 -162.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -152.21 165.76 33.84 Favored 'General case' 0 CA--C 1.589 2.478 0 CA-C-N 121.164 1.802 . . . . 0.0 113.686 -168.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -48.44 137.71 11.1 Favored 'General case' 0 C--O 1.259 1.553 0 C-N-CA 126.48 1.912 . . . . 0.0 111.529 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -42.09 152.58 0.08 Allowed 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 121.464 3.876 . . . . 0.0 121.464 170.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -70.87 122.56 87.22 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 118.504 -2.623 . . . . 0.0 107.812 164.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -48.74 -34.93 29.0 Favored 'Trans proline' 0 C--N 1.368 1.583 1 C-N-CA 125.713 4.275 . . . . 0.0 117.872 -177.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 -110.35 18.26 20.03 Favored 'General case' 0 N--CA 1.507 2.377 0 O-C-N 120.692 -1.255 . . . . 0.0 112.102 -168.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -144.78 146.29 32.06 Favored 'General case' 0 N--CA 1.419 -1.978 0 O-C-N 118.484 -2.635 . . . . 0.0 113.707 -172.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . 0.318 6.5 m 50.28 51.46 10.7 Favored Pre-proline 0 CA--C 1.595 2.685 0 N-CA-C 119.515 3.154 . . . . 0.0 119.515 161.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -86.57 19.26 1.42 Allowed 'Trans proline' 0 C--N 1.383 2.377 0 CA-C-N 121.351 1.518 . . . . 0.0 112.87 -160.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -75.1 0.59 15.65 Favored 'General case' 0 CA--C 1.571 1.765 0 O-C-N 118.066 -2.896 . . . . 0.0 116.014 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -146.83 153.27 46.04 Favored Pre-proline 0 C--N 1.377 1.787 0 O-C-N 128.105 3.378 . . . . 0.0 110.291 175.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -84.26 -15.31 6.6 Favored 'Trans proline' 0 C--O 1.266 1.884 1 C-N-CA 126.546 4.83 . . . . 0.0 112.929 173.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 9.3 m -133.39 166.26 29.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 CA-C-N 118.93 0.786 . . . . 0.0 112.268 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 22.2 m -147.04 153.5 45.47 Favored Pre-proline 0 N--CA 1.535 3.795 0 C-N-CA 126.872 2.069 . . . . 0.0 109.816 -176.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -63.31 152.04 81.86 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 124.679 3.586 . . . . 0.0 113.407 170.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 22.9 m -141.7 -11.33 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.523 3.217 0 C-N-CA 115.665 -2.414 . . . . 0.0 116.389 -177.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -164.19 145.65 8.63 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 113.647 -1.615 . . . . 0.0 112.26 -177.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 20.6 tp -102.18 134.13 45.93 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 116.23 -1.843 . . . . 0.0 113.867 172.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -103.28 -54.28 2.64 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 124.974 1.421 . . . . 0.0 110.819 -171.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.9 t -161.06 169.96 21.43 Favored 'General case' 0 C--N 1.379 1.851 0 CA-C-N 114.232 -1.349 . . . . 0.0 112.387 -175.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 43.1 p -137.28 143.75 42.33 Favored 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 126.161 2.163 . . . . 0.0 110.766 165.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.253 0.2 OUTLIER . . . . . 0 C--O 1.269 2.112 0 N-CA-C 117.331 2.345 . . . . 0.0 117.331 -161.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 203' ' ' SGN . . . . . 0.434 ' H3 ' ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 . . . . . 0 C--O 1.191 -1.977 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -55.47 155.26 21.44 Favored 'Trans proline' 0 C--N 1.386 2.502 1 C-N-CA 128.918 6.412 . . . . 0.0 115.287 176.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -70.22 -11.21 29.82 Favored 'Trans proline' 0 N--CA 1.416 -3.08 0 C-N-CA 122.844 2.362 . . . . 0.0 112.954 -159.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -145.96 24.18 1.34 Allowed 'General case' 0 CA--C 1.624 3.806 0 O-C-N 119.516 -1.99 . . . . 0.0 113.716 166.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -140.48 155.94 46.51 Favored 'General case' 0 CA--C 1.555 1.146 1 CA-C-O 128.588 4.042 . . . . 0.0 111.58 -175.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.3 p -71.6 159.34 34.6 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 116.31 -3.994 . . . . 0.0 113.418 145.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -60.56 -49.46 77.44 Favored 'General case' 0 C--N 1.361 1.085 0 CA-C-O 111.724 -3.989 . . . . 0.0 111.375 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . 0.277 . . -45.25 -53.15 8.69 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 127.618 3.074 . . . . 0.0 112.11 172.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -65.94 -35.26 80.12 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 119.79 -1.819 . . . . 0.0 114.617 -178.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -80.09 -32.55 39.22 Favored 'General case' 0 N--CA 1.499 2.02 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.254 174.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -59.76 -36.02 75.79 Favored 'General case' 0 C--O 1.275 2.434 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 164.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.28 -52.39 14.14 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 120.596 -1.315 . . . . 0.0 109.974 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.8 mt -56.79 -32.0 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.556 0 O-C-N 116.505 -3.872 . . . . 0.0 109.702 -178.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -81.14 -18.9 44.8 Favored 'General case' 0 N--CA 1.519 2.992 0 N-CA-C 116.95 2.204 . . . . 0.0 116.95 176.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -153.84 -9.0 0.15 Allowed 'General case' 0 C--O 1.187 -2.219 0 CA-C-O 113.803 -2.998 . . . . 0.0 116.388 -168.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.4 mm -134.91 102.18 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 127.956 3.285 . . . . 0.0 108.381 -176.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.1 m -154.01 104.73 2.67 Favored 'General case' 0 N--CA 1.486 1.346 1 O-C-N 129.771 4.419 . . . . 0.0 107.071 -159.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.7 tp -76.83 -31.27 56.78 Favored 'General case' 0 C--O 1.253 1.28 0 CA-C-O 114.699 -2.572 . . . . 0.0 113.245 -165.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -143.36 50.83 1.47 Allowed Pre-proline 0 N--CA 1.512 2.631 0 CA-C-N 121.903 2.138 . . . . 0.0 110.893 -173.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -69.26 161.25 46.6 Favored 'Trans proline' 0 C--N 1.296 -2.198 1 C-N-CA 129.368 6.712 . . . . 0.0 116.817 -166.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -81.7 179.89 5.37 Favored 'Trans proline' 0 N--CA 1.413 -3.215 0 C-N-CA 124.558 3.505 . . . . 0.0 108.923 173.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -73.09 172.41 11.1 Favored 'General case' 0 C--N 1.374 1.651 0 C-N-CA 118.36 -1.336 . . . . 0.0 110.987 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 77.1 m -60.82 -25.65 66.76 Favored 'General case' 0 CA--C 1.575 1.91 0 CA-C-O 114.516 -2.659 . . . . 0.0 111.169 -177.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.4 p -47.95 -31.5 5.31 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 128.355 2.662 . . . . 0.0 112.36 168.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.3 mm -115.21 -47.01 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 CA-C-O 122.927 1.346 . . . . 0.0 110.544 -177.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.7 -28.58 68.75 Favored 'General case' 0 C--O 1.267 1.983 0 C-N-CA 130.391 3.476 . . . . 0.0 111.01 -168.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 87.3 mmm -64.49 -32.46 74.1 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 173.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -56.62 -29.58 62.35 Favored 'General case' 0 N--CA 1.509 2.515 0 O-C-N 124.385 1.053 . . . . 0.0 113.229 -166.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -12.61 15.49 Favored 'General case' 0 C--O 1.252 1.227 0 C-N-CA 126.95 2.1 . . . . 0.0 113.928 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.5 pt -129.02 -38.22 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 N-CA-C 104.997 -2.223 . . . . 0.0 104.997 173.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -78.28 -28.44 47.58 Favored 'General case' 0 N--CA 1.511 2.597 0 CA-C-N 123.57 2.896 . . . . 0.0 114.044 -171.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -89.69 -33.88 16.45 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 165.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -80.06 -37.24 34.28 Favored 'General case' 0 C--O 1.169 -3.175 0 C-N-CA 127.648 2.379 . . . . 0.0 111.211 -174.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 -86.42 167.42 14.72 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 124.706 1.202 . . . . 0.0 111.406 170.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.22 -12.04 60.45 Favored 'General case' 0 N--CA 1.52 3.041 0 N-CA-C 117.489 2.403 . . . . 0.0 117.489 -165.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -152.13 153.2 33.42 Favored 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 130.707 3.603 . . . . 0.0 107.287 -174.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 83.4 m -57.37 124.4 18.78 Favored 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 130.21 3.404 . . . . 0.0 115.703 162.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -75.17 145.0 42.47 Favored 'General case' 0 CA--C 1.589 2.457 0 C-N-CA 125.484 1.513 . . . . 0.0 114.272 163.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -78.1 -30.25 49.4 Favored 'General case' 0 C--N 1.297 -1.705 0 C-N-CA 129.754 3.221 . . . . 0.0 110.842 -169.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -151.57 150.22 30.06 Favored 'General case' 0 CA--C 1.612 3.333 1 C-N-CA 132.715 4.406 . . . . 0.0 114.154 -174.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -147.87 169.07 20.62 Favored 'General case' 0 C--O 1.205 -1.255 0 C-N-CA 117.08 -1.848 . . . . 0.0 115.393 158.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.8 m -129.77 132.33 46.52 Favored 'General case' 0 N--CA 1.507 2.417 0 C-N-CA 127.365 2.266 . . . . 0.0 110.966 169.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -119.48 135.3 54.83 Favored 'General case' 0 N--CA 1.443 -0.82 0 O-C-N 123.956 0.785 . . . . 0.0 112.009 164.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.1 mp -98.33 133.95 42.02 Favored 'General case' 0 N--CA 1.392 -3.333 0 CA-C-O 124.153 1.93 . . . . 0.0 107.65 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . 0.259 71.5 mtp180 -76.66 56.43 1.14 Allowed 'General case' 0 C--O 1.194 -1.822 0 N-CA-C 118.428 2.751 . . . . 0.0 118.428 167.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.3 t -133.0 178.84 6.57 Favored 'General case' 0 CA--C 1.577 2.013 0 C-N-CA 124.296 1.038 . . . . 0.0 113.737 172.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.7 p -97.59 157.93 15.76 Favored 'General case' 0 C--N 1.289 -2.064 0 O-C-N 118.171 -2.83 . . . . 0.0 107.698 -169.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -56.9 -40.65 76.66 Favored 'General case' 0 CA--C 1.59 2.496 0 C-N-CA 127.393 2.277 . . . . 0.0 111.705 175.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.65 91.57 Favored 'General case' 0 C--O 1.2 -1.531 0 CA-C-O 117.893 -1.051 . . . . 0.0 112.253 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -49.35 -42.31 41.47 Favored 'General case' 0 C--O 1.268 2.051 0 C-N-CA 125.088 1.355 . . . . 0.0 110.631 171.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . 0.287 1.4 t -63.69 -50.16 79.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 CA-C-O 115.263 -2.303 . . . . 0.0 115.323 173.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.2 t -55.42 -27.01 20.09 Favored 'Isoleucine or valine' 0 C--O 1.269 2.109 0 O-C-N 126.788 2.555 . . . . 0.0 116.943 175.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -68.31 -53.77 22.03 Favored 'General case' 0 C--N 1.374 1.655 0 C-N-CA 128.64 2.776 . . . . 0.0 111.021 167.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.0 t -55.38 -35.31 36.63 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.333 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 171.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 80.3 m -63.32 5.16 0.18 Allowed 'General case' 0 N--CA 1.517 2.894 0 C-N-CA 127.898 2.479 . . . . 0.0 113.973 166.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -132.41 5.13 5.24 Favored Glycine 0 CA--C 1.541 1.689 0 CA-C-N 121.681 2.037 . . . . 0.0 110.782 173.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -66.89 167.97 10.63 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 115.813 1.782 . . . . 0.0 115.813 167.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -47.73 140.98 5.85 Favored 'General case' 0 N--CA 1.406 -2.665 0 N-CA-C 117.727 2.492 . . . . 0.0 117.727 175.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.4 m -91.37 115.33 27.95 Favored 'General case' 0 N--CA 1.5 2.043 0 C-N-CA 126.459 1.903 . . . . 0.0 110.379 -169.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 18.8 pt -124.12 -175.02 1.04 Allowed 'Isoleucine or valine' 0 C--O 1.259 1.601 0 O-C-N 125.631 1.832 . . . . 0.0 114.973 170.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -124.3 161.99 24.7 Favored 'General case' 0 C--O 1.267 1.994 0 O-C-N 125.247 1.592 . . . . 0.0 106.746 172.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 85.4 m -133.56 165.8 34.04 Favored Pre-proline 0 N--CA 1.4 -2.945 0 O-C-N 117.972 -2.955 . . . . 0.0 111.105 -169.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -84.55 5.63 6.18 Favored 'Trans proline' 0 N--CA 1.501 1.912 0 C-N-CA 123.827 3.018 . . . . 0.0 115.463 -175.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -136.85 34.92 2.62 Favored 'General case' 0 N--CA 1.518 2.965 0 O-C-N 117.816 -3.053 . . . . 0.0 111.787 169.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -126.15 1.72 7.17 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-O 115.894 -2.003 . . . . 0.0 113.224 -162.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.6 ptt85 -59.1 -20.76 56.42 Favored 'General case' 0 N--CA 1.514 2.73 0 C-N-CA 127.206 2.202 . . . . 0.0 114.853 -165.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.5 p -70.04 -11.92 61.23 Favored 'General case' 0 N--CA 1.528 3.463 0 N-CA-C 117.107 2.262 . . . . 0.0 117.107 175.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -144.61 -8.66 0.65 Allowed 'General case' 0 C--N 1.38 1.925 0 N-CA-C 118.736 2.865 . . . . 0.0 118.736 161.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 62.1 t30 56.24 43.82 25.93 Favored 'General case' 0 C--O 1.166 -3.301 1 CA-C-N 126.152 4.069 . . . . 0.0 111.385 165.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -166.47 102.27 0.6 Allowed 'General case' 0 C--N 1.357 0.895 0 CA-C-N 111.269 -2.696 . . . . 0.0 107.064 -169.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.0 p -140.93 174.43 10.53 Favored 'General case' 0 N--CA 1.524 3.259 0 O-C-N 125.18 1.55 . . . . 0.0 107.703 173.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -140.64 152.44 45.4 Favored 'General case' 0 N--CA 1.515 2.814 0 CA-C-O 113.936 -2.935 . . . . 0.0 114.447 -177.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -126.45 153.29 45.26 Favored 'General case' 0 CA--C 1.491 -1.297 0 CA-C-N 122.385 2.357 . . . . 0.0 110.856 177.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.518 ' HB3' ' CE2' ' A' ' 107' ' ' TYR . 73.3 p -67.02 143.58 56.68 Favored 'General case' 0 N--CA 1.427 -1.606 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 -173.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.4 mtt-85 -56.95 -36.31 70.13 Favored 'General case' 0 C--O 1.26 1.652 0 C-N-CA 127.316 2.247 . . . . 0.0 112.871 173.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -135.33 -176.2 4.19 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-O 125.611 2.624 . . . . 0.0 111.454 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 -79.97 151.55 29.99 Favored 'General case' 0 C--N 1.377 1.77 0 O-C-N 119.374 -2.079 . . . . 0.0 109.331 168.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.0 m -132.11 159.9 70.19 Favored Pre-proline 0 C--N 1.362 1.119 0 O-C-N 123.941 0.775 . . . . 0.0 112.211 167.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.08 153.5 74.8 Favored 'Trans proline' 0 C--N 1.386 2.513 0 C-N-CA 124.576 3.518 . . . . 0.0 113.616 171.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.5 pp -156.47 171.62 19.96 Favored 'General case' 0 CA--C 1.594 2.637 0 C-N-CA 126.187 1.795 . . . . 0.0 115.837 -178.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 63.7 tp -125.93 117.3 23.0 Favored 'General case' 0 CA--C 1.559 1.308 0 O-C-N 126.359 2.287 . . . . 0.0 115.939 160.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -85.6 153.1 22.62 Favored 'General case' 0 C--O 1.253 1.267 0 CA-C-N 120.96 1.709 . . . . 0.0 111.377 162.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 86.6 m -143.05 153.86 43.37 Favored 'General case' 0 CA--C 1.585 2.305 0 O-C-N 125.637 1.835 . . . . 0.0 111.927 -173.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.457 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 20.2 t70 -152.84 129.52 10.82 Favored 'General case' 0 N--CA 1.398 -3.056 0 C-N-CA 124.665 1.186 . . . . 0.0 110.193 -154.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.3 tp -76.16 95.59 3.71 Favored 'General case' 0 N--CA 1.42 -1.964 0 CA-C-O 113.606 -3.093 . . . . 0.0 113.756 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.3 pt -54.71 -21.28 6.91 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.73 0 CA-C-N 124.788 3.449 . . . . 0.0 117.934 -172.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -127.28 111.91 21.37 Favored Pre-proline 0 C--O 1.275 2.446 0 CA-C-O 123.546 1.641 . . . . 0.0 110.324 157.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_exo -62.38 -22.93 74.76 Favored 'Trans proline' 0 N--CA 1.502 2.005 0 C-N-CA 124.113 3.208 . . . . 0.0 113.745 173.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -60.35 -7.04 6.64 Favored Glycine 0 C--N 1.355 1.621 0 CA-C-O 113.426 -3.986 . . . . 0.0 118.802 167.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.15 138.98 31.03 Favored 'General case' 0 CA--C 1.592 2.588 0 O-C-N 128.655 3.209 . . . . 0.0 109.865 -166.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -141.64 -40.05 0.38 Allowed 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 118.501 2.778 . . . . 0.0 118.501 -174.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -83.64 138.52 33.3 Favored 'General case' 0 C--O 1.266 1.953 0 C-N-CA 129.435 3.094 . . . . 0.0 114.746 155.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.8 pt -48.43 -13.36 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.576 1.959 0 N-CA-C 120.183 3.401 . . . . 0.0 120.183 174.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.5 p -72.38 -14.05 61.62 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 126.855 2.062 . . . . 0.0 114.13 176.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -128.4 -24.13 3.12 Favored 'General case' 0 CA--C 1.477 -1.831 0 C-N-CA 124.541 1.136 . . . . 0.0 109.237 176.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 57.3 m -68.5 121.84 17.2 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 117.027 -3.546 . . . . 0.0 113.684 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -149.79 166.87 28.14 Favored 'General case' 0 C--O 1.255 1.374 0 C-N-CA 129.133 2.973 . . . . 0.0 105.978 -173.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.457 ' HA ' ' O ' ' A' ' 84' ' ' ASP . 51.4 m-85 -149.38 160.84 43.09 Favored 'General case' 0 CA--C 1.581 2.144 0 O-C-N 119.817 -1.802 . . . . 0.0 107.794 -152.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -147.75 159.69 43.53 Favored 'General case' 0 N--CA 1.405 -2.694 0 CA-C-O 122.754 1.264 . . . . 0.0 111.058 168.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -97.93 148.39 23.5 Favored 'General case' 0 CA--C 1.578 2.052 0 C-N-CA 126.834 2.054 . . . . 0.0 105.461 -149.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -143.18 88.72 8.03 Favored Pre-proline 0 CA--C 1.583 2.239 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.142 164.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -62.79 154.23 67.39 Favored 'Trans proline' 0 C--N 1.384 2.411 0 C-N-CA 122.267 1.978 . . . . 0.0 112.082 175.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -166.3 -172.22 33.37 Favored Glycine 1 CA--C 1.582 4.251 0 O-C-N 119.197 -2.189 . . . . 0.0 111.195 178.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -157.86 104.32 1.93 Allowed 'General case' 0 C--O 1.278 2.603 0 C-N-CA 128.992 2.917 . . . . 0.0 106.932 -176.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 80.6 mtm-85 -142.64 166.23 25.21 Favored 'General case' 0 N--CA 1.501 2.106 0 C-N-CA 125.878 1.671 . . . . 0.0 113.452 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -70.32 171.89 9.17 Favored 'General case' 0 CA--C 1.584 2.264 0 C-N-CA 128.649 2.78 . . . . 0.0 109.787 156.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.518 ' CE2' ' HB3' ' A' ' 74' ' ' SER . 37.2 p90 -148.61 167.71 24.72 Favored 'General case' 0 C--O 1.3 3.735 0 O-C-N 119.688 -1.882 . . . . 0.0 115.237 -175.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.1 t -132.66 135.96 56.65 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.642 0 CA-C-O 122.666 1.222 . . . . 0.0 108.613 175.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.6 m -135.67 148.43 28.18 Favored 'Isoleucine or valine' 0 C--N 1.385 2.146 0 O-C-N 120.832 -1.167 . . . . 0.0 109.441 -174.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -101.56 153.3 19.86 Favored 'General case' 0 N--CA 1.5 2.055 0 C-N-CA 116.177 -2.209 . . . . 0.0 105.701 164.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 12.5 m -134.47 173.72 11.34 Favored 'General case' 0 C--O 1.271 2.191 0 N-CA-C 116.56 2.059 . . . . 0.0 116.56 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . 0.255 25.3 t0 -152.99 164.44 37.97 Favored 'General case' 0 C--O 1.262 1.74 0 O-C-N 127.068 2.73 . . . . 0.0 111.175 -171.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -88.31 170.16 11.22 Favored 'General case' 0 CA--C 1.579 2.087 0 CA-C-O 115.947 -1.978 . . . . 0.0 111.953 -162.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -63.87 128.39 35.6 Favored 'General case' 0 CA--C 1.562 1.413 0 CA-C-N 121.386 1.903 . . . . 0.0 111.906 -174.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -71.71 129.74 88.02 Favored Pre-proline 0 N--CA 1.504 2.246 0 CA-C-O 116.883 -1.532 . . . . 0.0 111.032 171.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -64.65 -13.01 36.54 Favored 'Trans proline' 0 CA--C 1.573 2.427 0 C-N-CA 123.062 2.508 . . . . 0.0 112.78 -172.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 44.3 mtm180 -111.71 9.08 20.92 Favored 'General case' 0 CA--C 1.565 1.548 0 CA-C-O 113.597 -3.096 . . . . 0.0 114.884 172.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -146.38 151.12 36.95 Favored 'General case' 0 CA--C 1.593 2.597 0 CA-C-N 122.591 2.451 . . . . 0.0 114.581 174.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.6 m 55.36 43.35 1.27 Allowed Pre-proline 0 N--CA 1.515 2.789 0 C-N-CA 126.223 1.809 . . . . 0.0 115.082 169.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -56.28 -11.07 5.46 Favored 'Trans proline' 0 CA--C 1.563 1.975 0 N-CA-C 118.081 2.3 . . . . 0.0 118.081 -176.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -74.64 -14.76 60.8 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 119.477 -2.014 . . . . 0.0 112.107 -177.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -130.46 142.47 45.58 Favored Pre-proline 0 CA--C 1.585 2.318 0 CA-C-N 120.336 1.426 . . . . 0.0 111.401 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.86 -16.34 18.41 Favored 'Trans proline' 0 CA--C 1.576 2.584 0 O-C-N 115.834 -2.771 . . . . 0.0 115.191 -176.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.4 m -141.0 154.09 20.89 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.162 0 O-C-N 127.531 3.019 . . . . 0.0 112.708 -172.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 17.2 m -131.79 151.72 79.07 Favored Pre-proline 0 CA--C 1.58 2.099 0 CA-C-N 123.813 3.006 . . . . 0.0 110.948 171.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.9 158.34 34.74 Favored 'Trans proline' 0 N--CA 1.521 3.146 0 C-N-CA 122.558 2.172 . . . . 0.0 113.645 172.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 35.7 m -138.63 -27.49 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.443 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -173.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -153.06 156.42 38.72 Favored 'General case' 0 C--N 1.282 -2.367 0 C-N-CA 131.508 3.923 . . . . 0.0 115.268 -176.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.13 130.02 40.61 Favored 'General case' 0 C--O 1.251 1.144 0 CA-C-N 124.036 3.107 . . . . 0.0 105.614 176.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -85.52 -48.96 8.45 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 129.119 2.967 . . . . 0.0 115.958 -177.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.7 t -165.05 -174.51 3.32 Favored 'General case' 0 C--O 1.192 -1.957 0 C-N-CA 125.49 1.516 . . . . 0.0 114.278 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 78.2 p -132.85 144.05 49.94 Favored 'General case' 0 C--O 1.286 2.986 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.098 165.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.276 0.2 OUTLIER . . . . . 0 N--CA 1.516 2.846 0 N-CA-C 120.185 3.402 . . . . 0.0 120.185 -176.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 203' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 . . . . . 0 CA--C 1.476 -1.887 0 CA-C-O 115.732 -2.08 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -45.36 144.49 4.54 Favored 'Trans proline' 0 N--CA 1.443 -1.493 0 C-N-CA 123.14 2.56 . . . . 0.0 114.344 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -44.03 -20.19 0.27 Allowed 'Trans proline' 1 N--CA 1.38 -5.167 1 C-N-CA 127.517 5.478 . . . . 0.0 122.332 -179.567 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -157.77 13.37 0.22 Allowed 'General case' 0 CA--C 1.581 2.156 0 O-C-N 119.133 -2.23 . . . . 0.0 115.245 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -140.01 169.19 18.16 Favored 'General case' 0 CA--C 1.59 2.519 0 C-N-CA 126.884 2.074 . . . . 0.0 108.598 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 53.2 p -89.8 157.55 17.89 Favored 'General case' 0 N--CA 1.507 2.418 0 CA-C-O 123.676 1.703 . . . . 0.0 112.958 157.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -48.72 -32.86 9.13 Favored 'General case' 0 C--N 1.406 3.045 0 O-C-N 119.597 -1.94 . . . . 0.0 114.012 174.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.66 -44.33 64.47 Favored 'General case' 0 CA--C 1.566 1.576 0 C-N-CA 128.961 2.904 . . . . 0.0 110.233 176.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -70.15 -41.41 73.9 Favored 'General case' 0 CA--C 1.558 1.265 0 CA-C-O 125.709 2.671 . . . . 0.0 111.463 -177.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.348 65.1 t-105 -71.1 -27.11 63.36 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 116.483 -3.886 . . . . 0.0 114.093 174.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -61.06 -50.4 73.44 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 119.408 -2.058 . . . . 0.0 109.807 161.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.27 -48.47 80.35 Favored 'General case' 0 C--N 1.371 1.54 0 N-CA-C 117.977 2.584 . . . . 0.0 117.977 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . 0.255 27.6 mt -57.68 -34.44 47.6 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.07 0 C-N-CA 127.773 2.429 . . . . 0.0 116.767 172.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -78.33 -22.09 48.57 Favored 'General case' 0 C--N 1.286 -2.183 0 CA-C-O 117.526 -1.226 . . . . 0.0 114.163 170.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.356 93.6 m-70 -137.26 -32.34 0.78 Allowed 'General case' 0 N--CA 1.505 2.277 0 N-CA-C 119.718 3.229 . . . . 0.0 119.718 -159.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.9 mm -119.49 113.62 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 117.889 -3.007 . . . . 0.0 114.027 -169.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -157.52 111.29 2.57 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-N 111.034 -2.803 . . . . 0.0 105.281 -170.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.287 13.1 tp -59.15 -15.62 15.51 Favored 'General case' 0 CA--C 1.565 1.546 0 N-CA-C 118.23 2.678 . . . . 0.0 118.23 175.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -156.28 67.31 4.51 Favored Pre-proline 0 C--N 1.407 3.072 0 CA-C-O 126.589 3.09 . . . . 0.0 114.147 173.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -66.92 132.63 28.81 Favored 'Trans proline' 0 C--O 1.283 2.77 1 C-N-CA 128.095 5.863 . . . . 0.0 110.635 -174.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -68.32 -176.52 1.13 Allowed 'Trans proline' 0 C--O 1.186 -2.095 0 C-N-CA 124.93 3.754 . . . . 0.0 109.989 -174.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 56.3 mmt-85 -45.71 140.25 3.56 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 126.993 3.283 . . . . 0.0 108.27 164.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 55.4 m -66.01 -26.84 67.72 Favored 'General case' 0 CA--C 1.582 2.189 0 O-C-N 117.394 -3.316 . . . . 0.0 109.632 -178.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.0 p -38.91 -46.12 1.27 Allowed 'General case' 0 C--O 1.177 -2.731 0 C-N-CA 126.462 1.905 . . . . 0.0 114.595 159.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.1 mm -89.25 -54.19 8.13 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.51 0 CA-C-O 116.492 -1.718 . . . . 0.0 110.317 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.49 -42.74 83.3 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 116.947 -1.501 . . . . 0.0 108.552 -169.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 27.2 mmm -48.81 -36.81 17.55 Favored 'General case' 0 N--CA 1.426 -1.667 0 CA-C-N 121.941 2.155 . . . . 0.0 114.97 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -57.27 -31.41 65.57 Favored 'General case' 0 C--O 1.274 2.355 0 C-N-CA 129.282 3.033 . . . . 0.0 112.861 -173.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.53 -29.09 9.78 Favored 'General case' 1 CA--C 1.634 4.192 0 C-N-CA 129.762 3.225 . . . . 0.0 112.452 179.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.9 pt -125.99 -45.14 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.414 -2.25 0 C-N-CA 126.921 2.089 . . . . 0.0 111.946 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -59.41 -11.97 5.24 Favored 'General case' 0 C--O 1.195 -1.798 0 N-CA-C 116.638 2.088 . . . . 0.0 116.638 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -116.74 -2.64 11.84 Favored 'General case' 0 CA--C 1.589 2.476 0 O-C-N 118.249 -2.782 . . . . 0.0 112.836 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -105.34 -4.66 21.26 Favored 'General case' 0 CA--C 1.572 1.812 0 C-N-CA 128.524 2.73 . . . . 0.0 113.083 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -139.13 170.84 15.23 Favored 'General case' 1 N--CA 1.56 5.063 0 C-N-CA 125.606 1.563 . . . . 0.0 110.479 178.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -53.28 -32.51 48.97 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 118.033 2.605 . . . . 0.0 118.033 -173.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -143.73 170.04 16.61 Favored 'General case' 0 C--O 1.2 -1.514 0 CA-C-O 126.633 3.111 . . . . 0.0 110.813 -167.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 89.3 m -79.94 103.26 9.71 Favored 'General case' 0 CA--C 1.565 1.54 0 O-C-N 119.333 -2.105 . . . . 0.0 108.858 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -67.72 136.13 53.8 Favored 'General case' 0 C--N 1.378 1.812 0 N-CA-C 101.812 -3.403 . . . . 0.0 101.812 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -62.02 -47.62 83.95 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 117.911 2.56 . . . . 0.0 117.911 176.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -130.24 157.42 42.55 Favored 'General case' 0 C--N 1.283 -2.317 0 O-C-N 116.939 -3.601 . . . . 0.0 106.859 -177.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -164.45 166.66 20.33 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 125.837 1.96 . . . . 0.0 115.684 159.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.8 m -139.62 133.2 30.35 Favored 'General case' 0 CA--C 1.562 1.425 0 C-N-CA 117.199 -1.8 . . . . 0.0 108.618 -165.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -136.17 109.69 7.97 Favored 'General case' 0 C--O 1.185 -2.309 0 C-N-CA 125.579 1.551 . . . . 0.0 108.86 -165.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -101.02 143.1 31.56 Favored 'General case' 0 CA--C 1.463 -2.402 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 -160.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -95.09 63.75 2.69 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 -171.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.8 t -141.23 -166.59 2.21 Favored 'General case' 0 CA--C 1.572 1.821 0 C-N-CA 126.886 2.074 . . . . 0.0 109.315 -178.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.2 p -141.55 150.4 42.06 Favored 'General case' 0 C--O 1.194 -1.822 0 O-C-N 119.283 -2.135 . . . . 0.0 114.667 -175.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.455 ' CZ ' ' HD2' ' A' ' 126' ' ' PRO . 44.3 t80 -55.04 -51.48 66.17 Favored 'General case' 0 C--O 1.188 -2.158 0 N-CA-C 115.907 1.817 . . . . 0.0 115.907 -165.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.89 -43.83 49.59 Favored 'General case' 0 CA--C 1.569 1.699 0 O-C-N 117.977 -2.952 . . . . 0.0 111.462 166.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -69.43 -21.65 63.73 Favored 'General case' 0 CA--C 1.505 -0.76 0 O-C-N 117.069 -3.519 . . . . 0.0 115.823 174.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 43.2 t -75.8 -40.87 39.76 Favored 'Isoleucine or valine' 0 CA--C 1.61 3.254 0 O-C-N 120.005 -1.685 . . . . 0.0 112.79 168.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.5 t -58.61 -31.12 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 118.032 -2.917 . . . . 0.0 107.472 177.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -56.1 -23.45 34.11 Favored 'General case' 0 N--CA 1.518 2.963 0 CA-C-N 122.995 2.634 . . . . 0.0 116.337 167.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.5 t -76.99 -31.99 19.19 Favored 'Isoleucine or valine' 0 C--N 1.362 1.129 0 O-C-N 116.774 -3.704 . . . . 0.0 112.222 171.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 63.8 m -70.03 -0.23 7.21 Favored 'General case' 0 CA--C 1.579 2.093 0 O-C-N 124.324 1.015 . . . . 0.0 109.027 175.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -109.12 2.12 31.4 Favored Glycine 0 C--O 1.265 2.081 0 C-N-CA 127.857 2.646 . . . . 0.0 111.571 168.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -78.57 -176.58 4.9 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 120.792 2.296 . . . . 0.0 111.44 174.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -61.37 154.59 23.65 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 119.356 -2.09 . . . . 0.0 110.928 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.1 m -84.27 126.74 33.45 Favored 'General case' 0 C--O 1.26 1.627 0 CA-C-O 127.676 3.608 . . . . 0.0 113.968 169.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 14.6 pt -124.68 -179.29 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.843 0 CA-C-N 111.772 -2.467 . . . . 0.0 111.158 166.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -125.37 144.26 50.59 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 -173.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 69.6 m -140.97 155.54 68.81 Favored Pre-proline 0 CA--C 1.578 2.048 0 C-N-CA 126.6 1.96 . . . . 0.0 112.929 -160.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -74.7 -11.74 22.1 Favored 'Trans proline' 0 C--N 1.408 3.659 0 N-CA-C 117.589 2.111 . . . . 0.0 117.589 -170.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -136.49 40.24 2.62 Favored 'General case' 0 N--CA 1.504 2.25 0 C-N-CA 118.324 -1.351 . . . . 0.0 109.843 -174.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -128.21 -4.11 5.58 Favored 'General case' 0 CA--C 1.602 2.953 0 C-N-CA 129.781 3.232 . . . . 0.0 116.273 -159.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -50.1 -35.05 23.96 Favored 'General case' 0 C--O 1.185 -2.319 0 C-N-CA 128.937 2.895 . . . . 0.0 113.134 -164.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.2 p -64.11 -10.7 24.14 Favored 'General case' 0 C--N 1.385 2.134 1 O-C-N 129.211 4.069 . . . . 0.0 118.646 177.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -135.94 -18.28 1.6 Allowed 'General case' 0 C--N 1.381 1.965 0 CA-C-O 115.679 -2.105 . . . . 0.0 111.959 167.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.423 38.9 t-20 60.91 20.69 10.97 Favored 'General case' 0 CA--C 1.569 1.676 1 C-N-CA 131.882 4.073 . . . . 0.0 115.14 -177.944 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -135.75 130.09 33.58 Favored 'General case' 0 C--N 1.28 -2.453 0 C-N-CA 126.523 1.929 . . . . 0.0 110.815 -174.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 30.3 p -154.1 171.99 18.25 Favored 'General case' 0 CA--C 1.59 2.507 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 -178.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -148.15 143.57 27.19 Favored 'General case' 0 N--CA 1.507 2.398 0 O-C-N 118.893 -2.379 . . . . 0.0 108.211 -167.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -113.96 148.76 36.34 Favored 'General case' 0 C--N 1.385 2.149 0 C-N-CA 126.461 1.904 . . . . 0.0 108.65 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.425 ' HB3' ' CD1' ' A' ' 107' ' ' TYR . 82.3 p -71.16 143.11 50.64 Favored 'General case' 0 N--CA 1.501 2.111 0 CA-C-O 125.346 2.498 . . . . 0.0 112.772 -171.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.5 mtt-85 -63.99 -24.51 67.75 Favored 'General case' 0 C--O 1.25 1.1 0 CA-C-O 125.73 2.681 . . . . 0.0 116.079 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -140.36 174.34 10.61 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-O 112.438 -3.649 . . . . 0.0 113.45 -177.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -81.76 150.81 27.74 Favored 'General case' 0 C--O 1.266 1.958 0 O-C-N 127.7 3.125 . . . . 0.0 113.515 166.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 104' ' ' ARG . 3.3 m -119.65 153.49 54.33 Favored Pre-proline 0 C--O 1.274 2.392 0 O-C-N 127.193 2.808 . . . . 0.0 110.628 177.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -68.61 146.61 67.89 Favored 'Trans proline' 0 CA--C 1.557 1.674 0 N-CA-C 104.324 -2.991 . . . . 0.0 104.324 155.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 pp -153.08 154.16 34.29 Favored 'General case' 0 C--O 1.255 1.374 0 O-C-N 119.876 -1.765 . . . . 0.0 111.533 173.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . 0.288 19.1 tp -108.36 110.68 22.31 Favored 'General case' 0 CA--C 1.485 -1.537 0 CA-C-N 112.13 -2.305 . . . . 0.0 110.328 170.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . 0.268 70.7 t60 -88.61 141.73 28.28 Favored 'General case' 0 C--O 1.2 -1.523 0 N-CA-C 102.655 -3.091 . . . . 0.0 102.655 162.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 84.9 m -113.66 154.57 27.02 Favored 'General case' 0 C--N 1.267 -2.992 0 C-N-CA 127.918 2.487 . . . . 0.0 111.983 171.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . 0.262 57.7 t0 -139.5 173.07 11.92 Favored 'General case' 0 N--CA 1.409 -2.521 0 C-N-CA 129.961 3.304 . . . . 0.0 112.238 -178.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.0 tp -128.9 124.86 36.29 Favored 'General case' 0 C--O 1.266 1.969 0 C-N-CA 131.409 3.884 . . . . 0.0 108.25 -172.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.271 29.3 pt -72.73 -16.94 18.18 Favored 'Isoleucine or valine' 0 C--N 1.376 1.75 0 N-CA-C 116.424 2.009 . . . . 0.0 116.424 -171.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -141.46 106.47 6.01 Favored Pre-proline 0 C--O 1.207 -1.155 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . 0.326 9.4 Cg_endo -53.98 -12.83 3.82 Favored 'Trans proline' 1 N--CA 1.551 4.858 1 C-N-CA 126.987 5.125 . . . . 0.0 116.596 167.992 . . . . . . . . 4 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -77.26 -37.35 32.19 Favored Glycine 0 C--O 1.249 1.045 0 O-C-N 125.016 1.448 . . . . 0.0 115.408 173.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -49.94 127.32 16.17 Favored 'General case' 0 C--O 1.271 2.217 0 O-C-N 128.66 3.212 . . . . 0.0 113.49 -177.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . 0.255 40.0 mt-30 -134.64 0.64 3.01 Favored 'General case' 0 N--CA 1.529 3.513 0 O-C-N 118.196 -2.815 . . . . 0.0 116.578 -176.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -131.99 136.27 47.16 Favored 'General case' 0 C--O 1.27 2.18 0 C-N-CA 128.58 2.752 . . . . 0.0 105.597 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 8.8 pt -55.61 -22.05 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.499 0 O-C-N 118.884 -2.385 . . . . 0.0 115.294 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.4 p -65.39 -14.02 59.95 Favored 'General case' 1 N--CA 1.561 5.122 0 C-N-CA 125.645 1.578 . . . . 0.0 114.006 172.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -125.24 -44.1 1.9 Allowed 'General case' 0 N--CA 1.427 -1.606 0 C-N-CA 129.52 3.128 . . . . 0.0 116.906 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 57.8 m -53.6 126.56 22.18 Favored 'General case' 1 C--O 1.311 4.33 1 O-C-N 129.388 4.18 . . . . 0.0 114.597 173.132 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 46.5 mtt180 -148.11 153.86 39.42 Favored 'General case' 0 C--N 1.37 1.469 0 CA-C-O 125.977 2.798 . . . . 0.0 105.116 -172.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -129.97 161.09 31.7 Favored 'General case' 0 N--CA 1.434 -1.275 0 CA-C-N 113.163 -1.835 . . . . 0.0 113.992 -155.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -140.25 146.47 38.65 Favored 'General case' 0 C--O 1.25 1.099 0 O-C-N 125.228 1.58 . . . . 0.0 112.721 -171.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.496 ' C ' ' HD2' ' A' ' 101' ' ' ARG . 7.1 m-20 -97.99 141.21 31.23 Favored 'General case' 0 CA--C 1.469 -2.141 0 CA-C-O 125.777 2.703 . . . . 0.0 110.39 -172.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.496 ' HD2' ' C ' ' A' ' 100' ' ' ASP . 2.7 mpt_? -144.72 73.86 15.08 Favored Pre-proline 0 N--CA 1.494 1.769 0 CA-C-N 111.213 -2.722 . . . . 0.0 113.663 175.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -57.32 159.08 16.69 Favored 'Trans proline' 0 CA--C 1.544 1.015 0 C-N-CA 124.016 3.144 . . . . 0.0 118.608 171.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -178.89 175.57 47.42 Favored Glycine 1 CA--C 1.61 5.971 0 N-CA-C 117.987 1.955 . . . . 0.0 117.987 172.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.434 ' HA ' ' O ' ' A' ' 78' ' ' VAL . 31.3 ttt180 -122.27 111.92 17.51 Favored 'General case' 0 C--O 1.281 2.721 0 O-C-N 126.978 2.222 . . . . 0.0 113.923 178.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 86.8 mtm-85 -158.13 163.63 37.41 Favored 'General case' 0 C--O 1.247 0.973 0 CA-C-O 116.219 -1.848 . . . . 0.0 114.736 -172.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -67.77 176.58 2.44 Favored 'General case' 0 CA--C 1.573 1.835 0 C-N-CA 125.943 1.697 . . . . 0.0 106.838 165.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.425 ' CD1' ' HB3' ' A' ' 74' ' ' SER . 14.5 p90 -160.46 170.5 20.85 Favored 'General case' 0 N--CA 1.512 2.634 0 O-C-N 124.279 0.987 . . . . 0.0 109.261 -173.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 74.7 t -147.99 130.69 7.43 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.427 0 O-C-N 125.447 1.717 . . . . 0.0 106.742 -163.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.2 m -142.1 169.81 13.03 Favored 'Isoleucine or valine' 0 C--O 1.258 1.529 0 C-N-CA 126.192 1.797 . . . . 0.0 111.751 -172.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -126.81 145.12 50.75 Favored 'General case' 0 C--O 1.27 2.164 0 C-N-CA 127.723 2.409 . . . . 0.0 113.035 165.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 50.9 m -133.88 159.03 41.92 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 128.84 3.837 . . . . 0.0 119.519 -167.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -130.87 158.29 40.59 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 112.606 -2.088 . . . . 0.0 113.511 -175.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -75.56 149.91 38.22 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-O 115.853 -2.023 . . . . 0.0 108.301 178.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -45.29 136.67 5.13 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 119.673 3.212 . . . . 0.0 119.673 175.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -69.63 131.85 89.5 Favored Pre-proline 0 C--N 1.267 -3.016 0 O-C-N 124.496 1.123 . . . . 0.0 108.09 175.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -67.65 -8.23 21.72 Favored 'Trans proline' 0 N--CA 1.41 -3.411 0 N-CA-C 117.919 2.238 . . . . 0.0 117.919 175.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -133.51 10.35 4.04 Favored 'General case' 0 N--CA 1.507 2.392 0 C-N-CA 128.429 2.692 . . . . 0.0 112.63 -174.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -146.75 140.4 25.84 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 128.684 2.794 . . . . 0.0 116.933 172.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.0 m 46.86 59.09 16.66 Favored Pre-proline 0 N--CA 1.495 1.778 0 N-CA-C 118.432 2.753 . . . . 0.0 118.432 168.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -29.3 -22.19 0.0 OUTLIER 'Trans proline' 0 CA--C 1.564 2.015 1 N-CA-C 126.858 5.676 . . . . 0.0 126.858 170.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -73.86 -24.94 59.81 Favored 'General case' 0 C--O 1.199 -1.564 0 C-N-CA 126.799 2.04 . . . . 0.0 109.454 -161.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -120.1 102.82 45.84 Favored Pre-proline 0 CA--C 1.559 1.32 0 CA-C-O 116.633 -1.651 . . . . 0.0 111.961 -166.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . 0.251 36.0 Cg_exo -49.02 -25.91 9.57 Favored 'Trans proline' 0 N--CA 1.438 -1.737 1 C-N-CA 125.307 4.005 . . . . 0.0 118.817 174.427 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.7 m -147.84 153.51 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.714 1 N-CA-C 99.488 -4.264 . . . . 0.0 99.488 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 18.3 m -138.77 143.01 35.9 Favored Pre-proline 0 CA--C 1.59 2.51 0 C-N-CA 129.958 3.303 . . . . 0.0 106.989 -175.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.455 ' HD2' ' CZ ' ' A' ' 48' ' ' PHE . 88.9 Cg_endo -79.93 142.57 15.74 Favored 'Trans proline' 0 N--CA 1.426 -2.455 0 C-N-CA 123.216 2.611 . . . . 0.0 111.846 176.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 31.2 m -124.38 -12.08 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.221 0 N-CA-C 119.223 3.046 . . . . 0.0 119.223 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -164.4 152.45 12.4 Favored 'General case' 0 N--CA 1.509 2.508 0 C-N-CA 125.501 1.52 . . . . 0.0 111.467 -171.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 66.6 tp -120.51 131.5 54.74 Favored 'General case' 0 N--CA 1.505 2.286 0 C-N-CA 127.842 2.457 . . . . 0.0 112.466 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -97.57 -50.45 4.49 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 14.9 t -172.74 161.16 4.68 Favored 'General case' 0 C--O 1.248 1.009 0 CA-C-O 123.738 1.732 . . . . 0.0 108.51 -164.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 77.3 p -128.66 129.83 46.38 Favored 'General case' 0 N--CA 1.522 3.13 0 N-CA-C 101.514 -3.513 . . . . 0.0 101.514 175.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 112.931 -3.414 . . . . 0.0 115.426 -173.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 203' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 . . . . . 0 CA--C 1.57 1.725 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -45.6 138.13 11.19 Favored 'Trans proline' 0 CA--C 1.549 1.235 0 N-CA-C 118.729 2.55 . . . . 0.0 118.729 156.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -52.47 -11.6 1.29 Allowed 'Trans proline' 0 C--N 1.392 2.855 0 O-C-N 127.764 3.507 . . . . 0.0 119.414 -176.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -141.35 -6.39 1.05 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 118.128 2.64 . . . . 0.0 118.128 174.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -128.15 164.64 22.04 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 120.864 -1.148 . . . . 0.0 112.959 -172.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 59.7 p -73.42 160.06 32.34 Favored 'General case' 1 N--CA 1.555 4.812 0 O-C-N 117.479 -3.263 . . . . 0.0 103.678 157.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -59.4 -28.56 67.02 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-O 115.211 -2.328 . . . . 0.0 113.12 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.47 -32.18 24.15 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 126.21 2.194 . . . . 0.0 113.104 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.17 -44.2 95.22 Favored 'General case' 0 C--O 1.274 2.349 0 O-C-N 118.952 -2.343 . . . . 0.0 108.018 168.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -60.02 -39.91 87.49 Favored 'General case' 0 C--O 1.18 -2.56 0 N-CA-C 119.474 3.139 . . . . 0.0 119.474 168.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -53.71 -46.35 70.73 Favored 'General case' 0 C--O 1.253 1.258 0 CA-C-O 127.297 3.427 . . . . 0.0 112.762 164.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.47 -36.28 63.31 Favored 'General case' 0 CA--C 1.566 1.564 0 O-C-N 117.183 -3.448 . . . . 0.0 112.085 -168.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.7 mt -68.94 -35.26 68.35 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.091 0 C-N-CA 118.121 -1.431 . . . . 0.0 112.162 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -67.01 -26.22 66.67 Favored 'General case' 0 CA--C 1.57 1.715 0 CA-C-O 114.694 -2.574 . . . . 0.0 114.348 174.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -150.8 -7.59 0.27 Allowed 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 117.659 2.466 . . . . 0.0 117.659 -161.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.0 mm -119.1 110.37 29.57 Favored 'Isoleucine or valine' 0 C--O 1.259 1.564 0 O-C-N 118.008 -2.932 . . . . 0.0 107.567 -174.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.2 m -150.86 124.08 8.84 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 120.146 -1.596 . . . . 0.0 112.601 155.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 18' ' ' LEU . 10.6 tp -42.17 -36.49 1.2 Allowed 'General case' 0 C--N 1.385 2.152 0 N-CA-C 118.712 2.856 . . . . 0.0 118.712 169.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -142.25 80.53 14.87 Favored Pre-proline 0 C--O 1.188 -2.147 0 O-C-N 126.027 2.08 . . . . 0.0 111.483 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.45 170.58 19.6 Favored 'Trans proline' 0 CA--C 1.565 2.062 0 O-C-N 123.22 1.116 . . . . 0.0 112.209 -174.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -86.42 171.6 7.41 Favored 'Trans proline' 0 CA--C 1.567 2.153 0 C-N-CA 122.383 2.055 . . . . 0.0 110.513 176.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -49.93 138.32 15.44 Favored 'General case' 0 C--N 1.295 -1.803 0 CA-C-O 116.862 -1.542 . . . . 0.0 114.168 161.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 64.3 m -56.31 -29.41 61.2 Favored 'General case' 0 N--CA 1.527 3.406 0 O-C-N 125.846 1.966 . . . . 0.0 115.339 -169.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.8 p -45.1 -30.92 1.21 Allowed 'General case' 1 N--CA 1.539 4.022 0 N-CA-C 119.786 3.254 . . . . 0.0 119.786 166.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 30.8 mm -97.06 -45.81 12.78 Favored 'Isoleucine or valine' 1 C--O 1.142 -4.603 0 CA-C-O 126.622 3.106 . . . . 0.0 109.368 177.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.87 -41.55 58.15 Favored 'General case' 0 C--N 1.393 2.474 0 O-C-N 116.901 -3.624 . . . . 0.0 113.098 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 79.9 mmm -66.67 -18.44 65.37 Favored 'General case' 0 CA--C 1.572 1.812 1 CA-C-N 126.327 4.148 . . . . 0.0 110.702 -173.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -71.97 -29.58 64.4 Favored 'General case' 0 C--O 1.243 0.761 0 O-C-N 119.394 -2.066 . . . . 0.0 110.116 -163.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.3 -11.47 6.57 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 117.539 2.422 . . . . 0.0 117.539 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.8 pt -130.35 -36.73 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.261 0 C-N-CA 127.39 2.276 . . . . 0.0 112.182 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -73.23 -24.43 60.49 Favored 'General case' 0 C--N 1.379 1.871 0 O-C-N 118.362 -2.711 . . . . 0.0 111.776 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -97.3 14.34 26.41 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 126.487 1.915 . . . . 0.0 111.39 173.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -139.27 -6.17 1.4 Allowed 'General case' 1 N--CA 1.553 4.719 0 O-C-N 119.599 -1.938 . . . . 0.0 111.217 -168.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -140.15 168.2 20.36 Favored 'General case' 0 CA--C 1.591 2.552 0 O-C-N 119.344 -2.097 . . . . 0.0 108.667 -176.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.1 p-90 -55.02 -23.64 20.6 Favored 'General case' 0 CA--C 1.568 1.656 0 N-CA-C 116.454 2.02 . . . . 0.0 116.454 -167.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . 0.316 88.3 mtt180 -152.33 -179.7 7.78 Favored 'General case' 0 C--O 1.27 2.165 1 O-C-N 115.813 -4.304 . . . . 0.0 111.377 179.036 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 59.0 m -79.99 130.99 35.71 Favored 'General case' 0 CA--C 1.559 1.312 0 O-C-N 118.626 -2.547 . . . . 0.0 107.832 173.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -75.33 142.29 43.22 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 117.628 -3.17 . . . . 0.0 105.846 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -64.21 -54.46 33.21 Favored 'General case' 0 C--O 1.184 -2.38 0 CA-C-N 114.111 -1.404 . . . . 0.0 112.376 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -138.48 143.54 39.64 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 126.408 2.318 . . . . 0.0 111.428 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -141.77 172.74 12.28 Favored 'General case' 0 CA--C 1.492 -1.263 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 167.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . 0.301 1.6 m -139.78 145.21 37.92 Favored 'General case' 0 C--O 1.275 2.415 0 C-N-CA 128.45 2.7 . . . . 0.0 111.421 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -140.41 133.69 29.74 Favored 'General case' 0 C--O 1.28 2.683 0 CA-C-O 123.943 1.83 . . . . 0.0 113.555 166.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.5 mt -100.01 139.82 35.11 Favored 'General case' 0 C--N 1.378 1.838 0 O-C-N 117.105 -3.497 . . . . 0.0 109.465 -168.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -85.97 61.98 7.17 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 126.468 1.907 . . . . 0.0 107.827 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.8 t -152.67 161.0 43.15 Favored 'General case' 0 C--O 1.193 -1.892 0 CA-C-O 114.369 -2.729 . . . . 0.0 110.055 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.3 p -110.87 160.48 16.73 Favored 'General case' 0 N--CA 1.509 2.5 0 CA-C-O 127.939 3.733 . . . . 0.0 110.337 -163.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -61.83 -29.88 70.46 Favored 'General case' 0 C--O 1.261 1.685 0 O-C-N 118.19 -2.819 . . . . 0.0 112.629 -164.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.16 -25.68 59.87 Favored 'General case' 0 N--CA 1.434 -1.238 0 C-N-CA 126.119 1.768 . . . . 0.0 108.123 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -89.29 -20.29 24.27 Favored 'General case' 0 CA--C 1.557 1.25 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.8 t -82.25 -40.77 17.45 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.825 0 N-CA-C 104.024 -2.584 . . . . 0.0 104.024 175.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 25.3 t -57.37 -29.51 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 120.923 -1.111 . . . . 0.0 110.943 172.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -69.23 -26.02 64.6 Favored 'General case' 0 N--CA 1.508 2.466 0 O-C-N 120.096 -1.627 . . . . 0.0 113.795 170.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.491 ' C ' ' H ' ' A' ' 56' ' ' GLY . 47.2 t -78.41 -37.91 22.18 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 O-C-N 124.703 1.252 . . . . 0.0 112.787 168.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 63.1 m -59.54 5.17 0.03 OUTLIER 'General case' 0 CA--C 1.586 2.359 0 CA-C-O 125.407 2.527 . . . . 0.0 116.91 158.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 54' ' ' VAL . . . -123.61 38.36 2.47 Favored Glycine 0 N--CA 1.476 1.314 0 N-CA-C 121.143 3.217 . . . . 0.0 121.143 161.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.262 44.6 t-20 -113.99 179.75 3.87 Favored 'General case' 0 N--CA 1.513 2.697 0 C-N-CA 117.295 -1.762 . . . . 0.0 107.739 169.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -56.74 148.34 20.63 Favored 'General case' 0 C--N 1.382 2.017 0 O-C-N 120.332 -1.48 . . . . 0.0 113.231 -178.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.6 m -79.84 117.37 20.66 Favored 'General case' 0 N--CA 1.405 -2.689 0 C-N-CA 127.582 2.353 . . . . 0.0 109.611 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 19.5 pt -119.0 176.32 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 130.655 3.582 . . . . 0.0 113.205 171.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.5 ptt-85 -107.48 149.36 28.05 Favored 'General case' 0 N--CA 1.51 2.571 1 O-C-N 116.278 -4.014 . . . . 0.0 113.263 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 92.3 m -144.29 150.12 47.2 Favored Pre-proline 0 CA--C 1.566 1.576 0 CA-C-N 120.016 1.28 . . . . 0.0 112.356 176.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -56.39 -24.02 49.88 Favored 'Trans proline' 0 C--O 1.216 -0.601 1 C-N-CA 127.617 5.545 . . . . 0.0 114.36 -161.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -122.84 37.56 4.38 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 -169.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -147.13 -8.66 0.45 Allowed 'General case' 0 C--N 1.369 1.441 0 O-C-N 119.92 -1.737 . . . . 0.0 112.499 -152.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 46.6 ptt85 -49.63 -19.96 0.7 Allowed 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 120.896 3.665 . . . . 0.0 120.896 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.3 p -58.07 -46.44 85.44 Favored 'General case' 0 C--N 1.286 -2.189 0 CA-C-N 122.257 2.299 . . . . 0.0 110.124 168.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -104.52 -17.97 14.53 Favored 'General case' 0 CA--C 1.563 1.446 0 CA-C-N 119.501 1.046 . . . . 0.0 110.435 176.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.2 t30 43.83 42.25 4.34 Favored 'General case' 0 C--N 1.392 2.451 0 C-N-CA 126.489 1.915 . . . . 0.0 115.592 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -141.78 103.82 4.42 Favored 'General case' 0 C--N 1.283 -2.303 0 O-C-N 126.502 2.377 . . . . 0.0 113.387 -173.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 24.7 p -125.74 175.36 7.67 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 118.79 -2.444 . . . . 0.0 109.401 174.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -145.84 162.51 37.54 Favored 'General case' 0 C--O 1.277 2.533 0 CA-C-O 115.758 -2.068 . . . . 0.0 112.66 175.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -119.63 153.14 35.97 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 126.648 1.979 . . . . 0.0 111.272 177.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.472 ' HB3' ' CE2' ' A' ' 107' ' ' TYR . 93.6 p -62.46 152.06 35.52 Favored 'General case' 0 C--O 1.26 1.654 0 C-N-CA 125.851 1.66 . . . . 0.0 114.358 175.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 66.1 mtt-85 -71.53 -9.17 57.79 Favored 'General case' 0 N--CA 1.525 3.29 0 N-CA-C 104.175 -2.528 . . . . 0.0 104.175 -175.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -174.65 168.05 3.75 Favored 'General case' 0 N--CA 1.51 2.546 0 N-CA-C 115.525 1.676 . . . . 0.0 115.525 -155.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 64.5 mtm180 -74.33 145.75 43.64 Favored 'General case' 0 C--O 1.186 -2.242 0 O-C-N 118.727 -2.483 . . . . 0.0 112.31 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.7 m -121.21 141.57 33.3 Favored Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 118.041 -2.912 . . . . 0.0 114.557 164.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -67.83 134.61 32.85 Favored 'Trans proline' 0 C--O 1.282 2.712 0 CA-C-O 126.982 2.826 . . . . 0.0 109.698 159.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.1 pp -130.28 160.75 32.98 Favored 'General case' 0 CA--C 1.584 2.267 0 CA-C-N 111.168 -2.742 . . . . 0.0 114.381 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 tp -116.72 107.47 14.7 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 168.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -86.33 136.97 32.94 Favored 'General case' 0 CA--C 1.566 1.578 0 O-C-N 118.651 -2.53 . . . . 0.0 114.073 172.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 87.2 m -124.0 136.38 54.25 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 124.383 1.052 . . . . 0.0 110.995 -175.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -135.5 111.0 9.14 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 127.792 3.182 . . . . 0.0 111.152 -157.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.9 tp -75.73 86.63 2.76 Favored 'General case' 0 CA--C 1.574 1.869 0 C-N-CA 130.016 3.327 . . . . 0.0 106.839 173.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.307 13.4 pt -56.33 -0.26 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.516 2.825 0 C-N-CA 130.492 3.517 . . . . 0.0 119.069 -172.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -140.01 129.12 13.49 Favored Pre-proline 0 CA--C 1.612 3.36 0 N-CA-C 116.944 2.202 . . . . 0.0 116.944 -165.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -89.96 16.91 1.62 Allowed 'Trans proline' 0 CA--C 1.572 2.422 0 CA-C-O 115.313 -2.036 . . . . 0.0 115.406 -175.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -125.31 -13.47 3.52 Favored Glycine 0 C--O 1.19 -2.609 0 N-CA-C 108.713 -1.755 . . . . 0.0 108.713 173.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . 0.268 . . -57.99 143.43 43.19 Favored 'General case' 0 C--N 1.4 2.787 0 CA-C-N 119.796 1.798 . . . . 0.0 111.662 170.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -144.85 -23.3 0.51 Allowed 'General case' 0 C--N 1.305 -1.336 0 O-C-N 119.577 -1.952 . . . . 0.0 115.832 174.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -136.8 153.83 50.7 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 116.826 2.158 . . . . 0.0 116.826 174.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 27.7 pt -55.92 -21.01 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.623 0 C-N-CA 130.346 3.458 . . . . 0.0 114.497 -174.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.1 p -66.09 12.58 0.06 Allowed 'General case' 0 N--CA 1.496 1.828 0 CA-C-O 115.436 -2.221 . . . . 0.0 112.548 159.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -161.92 -39.48 0.04 OUTLIER 'General case' 0 C--N 1.281 -2.41 0 CA-C-N 123.032 2.651 . . . . 0.0 113.377 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.8 m -36.75 97.93 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 130.428 3.491 . . . . 0.0 113.266 165.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -83.18 163.93 20.49 Favored 'General case' 0 N--CA 1.528 3.461 0 C-N-CA 129.024 2.93 . . . . 0.0 108.261 162.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -144.18 151.87 40.1 Favored 'General case' 0 C--N 1.383 2.059 0 C-N-CA 125.592 1.557 . . . . 0.0 112.108 -169.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -135.6 143.95 45.87 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.907 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.64 143.69 49.68 Favored 'General case' 0 CA--C 1.58 2.131 0 C-N-CA 125.254 1.422 . . . . 0.0 111.956 175.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -137.65 89.58 15.36 Favored Pre-proline 0 CA--C 1.589 2.444 0 C-N-CA 127.668 2.387 . . . . 0.0 113.677 167.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -63.75 151.73 83.78 Favored 'Trans proline' 0 N--CA 1.491 1.367 1 C-N-CA 126.568 4.845 . . . . 0.0 110.538 174.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -163.73 174.81 39.95 Favored Glycine 0 N--CA 1.498 2.82 0 C-N-CA 130.652 3.977 . . . . 0.0 118.245 163.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -144.6 112.74 6.42 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 173.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 56.4 mtm-85 -148.49 176.03 10.65 Favored 'General case' 0 C--O 1.2 -1.511 0 C-N-CA 126.148 1.779 . . . . 0.0 112.783 -175.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -85.61 175.42 8.78 Favored 'General case' 0 C--N 1.287 -2.111 0 O-C-N 118.115 -2.866 . . . . 0.0 110.295 164.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.472 ' CE2' ' HB3' ' A' ' 74' ' ' SER . 8.6 p90 -148.03 158.43 44.06 Favored 'General case' 0 C--O 1.285 2.95 0 O-C-N 125.64 1.837 . . . . 0.0 108.371 -173.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 23.2 t -132.25 126.15 55.36 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.053 0 O-C-N 127.083 2.74 . . . . 0.0 109.763 -170.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.7 m -127.75 176.67 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.059 0 N-CA-C 114.552 1.316 . . . . 0.0 114.552 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -136.66 151.65 49.53 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.256 -0.903 . . . . 0.0 110.088 169.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 22.2 m -134.13 -177.52 4.62 Favored 'General case' 0 C--O 1.273 2.333 0 C-N-CA 127.64 2.376 . . . . 0.0 114.223 -163.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -156.44 171.57 20.03 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 113.08 -1.873 . . . . 0.0 115.359 -175.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -73.33 142.54 47.08 Favored 'General case' 0 N--CA 1.517 2.895 0 C-N-CA 123.434 0.694 . . . . 0.0 110.78 173.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -45.13 148.84 0.54 Allowed 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 127.64 2.376 . . . . 0.0 115.883 173.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -67.98 137.9 92.4 Favored Pre-proline 0 C--O 1.258 1.543 0 N-CA-C 116.352 1.982 . . . . 0.0 116.352 169.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -69.21 -3.18 11.12 Favored 'Trans proline' 0 N--CA 1.404 -3.788 0 C-N-CA 122.332 2.021 . . . . 0.0 115.626 -172.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -145.75 10.78 1.22 Allowed 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 116.42 -1.753 . . . . 0.0 112.817 -172.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -135.59 129.02 32.26 Favored 'General case' 0 C--N 1.366 1.323 0 C-N-CA 125.82 1.648 . . . . 0.0 111.856 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 71.5 m 71.37 62.19 0.42 Allowed Pre-proline 0 N--CA 1.518 2.961 0 N-CA-C 121.083 3.735 . . . . 0.0 121.083 162.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -53.94 -12.83 3.77 Favored 'Trans proline' 0 CA--C 1.589 3.246 0 C-N-CA 124.55 3.5 . . . . 0.0 116.744 175.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -60.28 -23.51 64.21 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 116.761 -3.712 . . . . 0.0 116.878 178.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -138.37 128.66 15.16 Favored Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 118.89 -2.382 . . . . 0.0 114.087 -175.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.51 -27.1 23.32 Favored 'Trans proline' 0 C--N 1.372 1.801 0 C-N-CA 121.902 1.735 . . . . 0.0 115.606 -174.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 18.4 m -143.88 152.21 16.13 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.711 0 C-N-CA 128.417 2.687 . . . . 0.0 104.582 -178.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 3.2 m -133.15 147.17 64.1 Favored Pre-proline 0 C--O 1.271 2.214 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -72.58 149.76 49.95 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 O-C-N 124.499 1.789 . . . . 0.0 110.463 174.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 26.6 m -134.13 -12.67 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.453 0 N-CA-C 119.006 2.965 . . . . 0.0 119.006 175.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -151.37 160.17 43.9 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 125.613 1.565 . . . . 0.0 111.489 172.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 19.6 tp -126.28 107.84 10.71 Favored 'General case' 0 N--CA 1.506 2.331 0 C-N-CA 128.971 2.908 . . . . 0.0 107.573 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -82.86 -52.99 6.21 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 117.193 2.294 . . . . 0.0 117.193 -170.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.0 t -162.27 179.57 7.78 Favored 'General case' 0 CA--C 1.566 1.561 0 CA-C-N 112.887 -1.961 . . . . 0.0 113.839 -176.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 53.4 p -149.11 141.21 23.91 Favored 'General case' 0 C--O 1.253 1.284 1 C-N-CA 133.692 4.797 . . . . 0.0 111.08 -175.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.435 -1.223 1 C-N-CA 132.646 4.379 . . . . 0.0 118.849 -168.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 203' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.421 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 59.3 ttt180 . . . . . 0 CA--C 1.551 1.009 0 CA-C-O 119.576 -0.249 . . . . 0.0 110.622 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 1' ' ' ARG . 84.1 Cg_exo -54.89 149.89 39.96 Favored 'Trans proline' 0 N--CA 1.431 -2.182 0 C-N-CA 124.628 3.552 . . . . 0.0 111.328 -178.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -56.06 -6.62 1.34 Allowed 'Trans proline' 0 CA--C 1.546 1.108 2 C-N-CA 126.794 4.996 . . . . 0.0 123.142 -171.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -162.6 16.92 0.08 Allowed 'General case' 0 N--CA 1.428 -1.573 0 O-C-N 126.539 2.399 . . . . 0.0 113.598 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -145.25 -169.29 3.17 Favored 'General case' 0 C--N 1.391 2.379 0 CA-C-O 122.664 1.221 . . . . 0.0 109.015 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.0 p -90.87 165.98 13.32 Favored 'General case' 0 N--CA 1.507 2.421 0 C-N-CA 127.438 2.295 . . . . 0.0 114.438 148.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -50.75 -46.49 59.32 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 167.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.79 -47.69 83.99 Favored 'General case' 0 CA--C 1.581 2.148 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.253 -174.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -71.64 -32.04 67.5 Favored 'General case' 0 C--O 1.259 1.591 0 CA-C-N 112.851 -1.977 . . . . 0.0 110.345 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 48.2 t-105 -75.82 -35.13 60.1 Favored 'General case' 0 CA--C 1.474 -1.955 0 CA-C-N 122.513 2.415 . . . . 0.0 114.0 175.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -45.0 -65.11 0.57 Allowed 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 116.845 -1.55 . . . . 0.0 110.361 154.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.23 83.02 Favored 'General case' 0 N--CA 1.39 -3.448 0 C-N-CA 124.282 1.033 . . . . 0.0 111.086 -168.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.2 mt -57.04 -29.15 30.73 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.501 0 C-N-CA 125.845 1.658 . . . . 0.0 112.885 173.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -92.17 -22.48 19.82 Favored 'General case' 0 C--O 1.281 2.726 0 CA-C-O 115.241 -2.314 . . . . 0.0 112.323 -176.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -138.26 -22.95 1.02 Allowed 'General case' 0 CA--C 1.594 2.656 0 N-CA-C 119.193 3.034 . . . . 0.0 119.193 -169.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . 0.372 49.8 mm -120.53 80.66 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.582 2.208 0 CA-C-N 120.521 1.509 . . . . 0.0 108.024 -159.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.2 m -130.15 112.87 13.81 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 125.254 1.422 . . . . 0.0 109.49 -170.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 tp -67.19 -26.24 66.53 Favored 'General case' 0 CA--C 1.571 1.755 0 CA-C-N 122.472 2.397 . . . . 0.0 117.128 -165.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -149.01 57.57 3.0 Favored Pre-proline 0 C--N 1.318 -0.786 0 O-C-N 118.792 -2.443 . . . . 0.0 116.298 177.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -56.71 169.84 1.61 Allowed 'Trans proline' 0 C--O 1.272 2.202 0 C-N-CA 122.916 2.411 . . . . 0.0 111.442 -170.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . 0.281 0.3 OUTLIER -71.96 179.53 4.77 Favored 'Trans proline' 0 CA--C 1.565 2.054 1 C-N-CA 130.171 7.247 . . . . 0.0 112.868 164.336 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -54.42 147.44 13.8 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 165.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.508 ' SG ' ' HA ' ' A' ' 100' ' ' ASP . 88.9 m -47.43 -30.69 3.51 Favored 'General case' 0 C--O 1.282 2.807 0 N-CA-C 119.493 3.146 . . . . 0.0 119.493 169.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 p -52.49 -46.17 66.47 Favored 'General case' 0 C--N 1.397 2.672 0 CA-C-N 119.745 1.157 . . . . 0.0 112.301 169.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.8 mm -83.79 -43.64 17.97 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.894 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 174.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.01 -32.68 74.52 Favored 'General case' 0 C--N 1.313 -0.992 0 O-C-N 118.478 -2.639 . . . . 0.0 117.824 -175.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 84.4 mmm -57.16 -29.71 63.85 Favored 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 163.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -61.79 -22.78 65.74 Favored 'General case' 0 C--N 1.376 1.749 0 CA-C-O 117.78 -1.105 . . . . 0.0 110.821 -177.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.67 -18.48 54.1 Favored 'General case' 0 N--CA 1.513 2.68 0 N-CA-C 115.018 1.488 . . . . 0.0 115.018 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.1 pt -127.63 -38.15 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 126.097 1.759 . . . . 0.0 111.016 175.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.274 48.7 m-20 -73.73 -20.49 60.5 Favored 'General case' 0 CA--C 1.493 -1.229 0 CA-C-O 115.372 -2.251 . . . . 0.0 111.68 -175.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -110.19 19.02 19.36 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 123.742 2.974 . . . . 0.0 109.647 172.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -120.53 -5.71 9.78 Favored 'General case' 0 C--O 1.272 2.263 0 C-N-CA 130.325 3.45 . . . . 0.0 115.943 169.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -134.41 162.99 30.7 Favored 'General case' 0 N--CA 1.511 2.61 0 C-N-CA 127.287 2.235 . . . . 0.0 112.855 175.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -57.39 -22.66 44.3 Favored 'General case' 1 C--O 1.308 4.157 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 -171.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -139.6 156.81 46.65 Favored 'General case' 0 C--O 1.259 1.592 0 C-N-CA 127.674 2.39 . . . . 0.0 113.497 -171.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.1 m -82.21 111.82 18.66 Favored 'General case' 0 C--N 1.362 1.139 0 CA-C-O 116.11 -1.9 . . . . 0.0 113.88 174.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.457 ' HE2' ' O ' ' A' ' 40' ' ' GLN . 78.7 tttt -54.94 135.5 48.38 Favored 'General case' 0 CA--C 1.484 -1.584 0 C-N-CA 125.23 1.412 . . . . 0.0 111.428 171.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -76.67 -32.95 58.27 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 129.856 3.262 . . . . 0.0 112.483 -175.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.457 ' O ' ' HE2' ' A' ' 38' ' ' LYS . 88.7 mm-40 -145.36 143.72 30.29 Favored 'General case' 0 CA--C 1.573 1.862 0 N-CA-C 104.458 -2.423 . . . . 0.0 104.458 -173.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.412 ' ND2' ' CE1' ' A' ' 43' ' ' PHE . 15.5 t30 -155.64 161.24 40.83 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.183 -1.573 . . . . 0.0 109.273 168.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -136.62 137.72 40.41 Favored 'General case' 0 C--O 1.267 1.988 0 CA-C-N 112.515 -2.13 . . . . 0.0 112.16 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.412 ' CE1' ' ND2' ' A' ' 41' ' ' ASN . 14.9 m-85 -131.08 143.13 50.44 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 128.228 2.611 . . . . 0.0 107.613 -172.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mp -134.44 137.87 44.33 Favored 'General case' 0 C--N 1.401 2.821 0 C-N-CA 117.361 -1.735 . . . . 0.0 108.608 -165.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -96.36 42.51 1.09 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.346 1.458 . . . . 0.0 114.21 -174.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 t -106.01 167.39 9.83 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 129.957 3.303 . . . . 0.0 110.262 165.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.3 p -95.79 160.71 14.34 Favored 'General case' 0 CA--C 1.583 2.235 0 CA-C-N 121.867 2.121 . . . . 0.0 110.142 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -54.76 -52.95 60.96 Favored 'General case' 0 C--N 1.388 2.259 0 CA-C-N 114.876 -1.057 . . . . 0.0 113.061 -176.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.55 -29.06 67.65 Favored 'General case' 0 C--N 1.388 2.259 0 O-C-N 118.696 -2.503 . . . . 0.0 115.019 176.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -62.0 -38.91 90.37 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 120.892 1.678 . . . . 0.0 114.893 164.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.1 t -71.98 -34.84 52.06 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.018 0 CA-C-O 116.888 -1.53 . . . . 0.0 111.52 171.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.6 t -67.06 -35.14 73.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 CA-C-N 121.68 2.036 . . . . 0.0 110.137 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -66.83 -28.95 68.77 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-O 111.703 -3.999 . . . . 0.0 114.234 164.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.79 -37.37 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.322 0 CA-C-N 123.434 2.834 . . . . 0.0 114.947 163.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 35.3 m -50.09 -28.79 7.72 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 119.381 -2.074 . . . . 0.0 115.504 165.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.21 17.18 59.59 Favored Glycine 0 C--N 1.373 2.62 0 CA-C-O 114.418 -3.434 . . . . 0.0 116.576 170.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -84.54 166.41 17.23 Favored 'General case' 0 CA--C 1.593 2.604 0 CA-C-O 125.11 2.386 . . . . 0.0 108.552 167.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -44.67 147.8 0.57 Allowed 'General case' 0 CA--C 1.551 1.013 0 O-C-N 118.809 -2.432 . . . . 0.0 115.872 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.5 m -102.09 142.69 32.97 Favored 'General case' 0 C--O 1.273 2.294 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 -167.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.5 pt -150.65 -179.03 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.582 2.2 0 CA-C-N 113.237 -1.801 . . . . 0.0 109.791 -171.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.9 ptt-85 -115.99 152.68 33.04 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 126.926 2.09 . . . . 0.0 114.438 176.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 83.5 m -147.11 153.95 45.78 Favored Pre-proline 0 C--N 1.409 3.167 0 CA-C-O 124.22 1.962 . . . . 0.0 109.346 -171.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -74.04 -8.94 21.72 Favored 'Trans proline' 0 CA--C 1.591 3.356 0 O-C-N 116.965 -2.176 . . . . 0.0 117.726 -165.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -120.25 37.05 4.35 Favored 'General case' 0 C--O 1.265 1.882 0 O-C-N 126.581 2.425 . . . . 0.0 114.471 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -140.66 0.42 1.63 Allowed 'General case' 0 C--O 1.263 1.793 0 O-C-N 118.599 -2.563 . . . . 0.0 111.795 -152.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -57.03 -37.06 71.22 Favored 'General case' 0 CA--C 1.597 2.772 0 N-CA-C 117.668 2.47 . . . . 0.0 117.668 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.2 p -41.96 -30.0 0.25 Allowed 'General case' 0 C--O 1.176 -2.766 0 C-N-CA 127.824 2.45 . . . . 0.0 116.554 175.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -134.51 5.3 3.44 Favored 'General case' 0 N--CA 1.519 2.988 0 O-C-N 126.426 2.329 . . . . 0.0 115.563 168.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 31.44 52.92 0.2 Allowed 'General case' 0 N--CA 1.536 3.872 1 C-N-CA 131.749 4.02 . . . . 0.0 113.209 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -159.65 125.82 4.34 Favored 'General case' 0 CA--C 1.595 2.696 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 15.7 p -138.58 176.69 8.47 Favored 'General case' 0 CA--C 1.57 1.739 0 O-C-N 126.499 2.374 . . . . 0.0 112.704 169.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -155.33 163.43 40.13 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-O 116.589 -1.672 . . . . 0.0 112.48 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -130.62 151.49 51.02 Favored 'General case' 1 N--CA 1.54 4.067 0 C-N-CA 129.207 3.003 . . . . 0.0 116.009 170.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.9 p -64.65 154.05 37.64 Favored 'General case' 0 N--CA 1.432 -1.366 0 N-CA-C 116.733 2.123 . . . . 0.0 116.733 -173.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -76.25 -21.66 56.07 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 -169.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -150.58 178.55 8.97 Favored 'General case' 0 N--CA 1.416 -2.142 0 C-N-CA 128.787 2.835 . . . . 0.0 115.49 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -84.12 155.09 22.79 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-O 122.318 1.056 . . . . 0.0 109.86 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.8 m -149.95 148.4 24.97 Favored Pre-proline 0 CA--C 1.563 1.463 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 171.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -54.02 146.69 46.55 Favored 'Trans proline' 0 N--CA 1.498 1.789 0 O-C-N 118.748 -1.238 . . . . 0.0 111.865 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 pp -155.52 -171.91 3.95 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 125.41 1.484 . . . . 0.0 111.558 176.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 47.5 tp -144.55 135.7 25.22 Favored 'General case' 0 CA--C 1.602 2.965 0 O-C-N 128.292 3.495 . . . . 0.0 108.98 -178.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -122.08 150.55 41.99 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 127.398 2.279 . . . . 0.0 109.296 169.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 62.9 m -129.19 153.42 47.75 Favored 'General case' 0 C--O 1.183 -2.441 0 CA-C-N 119.913 1.233 . . . . 0.0 111.671 -172.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -139.37 125.66 20.18 Favored 'General case' 0 CA--C 1.57 1.732 0 CA-C-O 125.735 2.683 . . . . 0.0 109.443 -175.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.0 tp -72.31 94.31 1.59 Allowed 'General case' 0 CA--C 1.595 2.699 0 C-N-CA 129.434 3.093 . . . . 0.0 107.064 172.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 28.6 pt -58.35 -25.42 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 CA-C-O 112.923 -3.417 . . . . 0.0 110.219 -161.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -125.1 104.54 29.36 Favored Pre-proline 0 N--CA 1.415 -2.196 0 CA-C-N 123.377 2.808 . . . . 0.0 111.495 -156.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . 0.284 94.8 Cg_exo -37.8 -39.23 0.78 Allowed 'Trans proline' 0 C--O 1.273 2.257 1 C-N-CA 128.021 5.814 . . . . 0.0 117.81 177.42 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -75.25 -29.36 60.39 Favored Glycine 1 CA--C 1.617 6.445 0 N-CA-C 119.258 2.463 . . . . 0.0 119.258 -177.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . 0.334 . . -74.15 130.96 40.79 Favored 'General case' 0 C--O 1.252 1.185 0 C-N-CA 125.386 1.474 . . . . 0.0 109.391 -171.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -138.08 -21.56 1.08 Allowed 'General case' 0 N--CA 1.51 2.528 0 CA-C-O 115.104 -2.379 . . . . 0.0 114.319 171.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -93.82 133.15 37.52 Favored 'General case' 0 CA--C 1.572 1.801 0 CA-C-O 124.839 2.257 . . . . 0.0 110.961 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.1 pt -41.58 -29.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.38 1.898 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 176.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 84.9 p -65.47 -24.56 67.19 Favored 'General case' 0 C--O 1.27 2.177 0 CA-C-N 121.115 1.779 . . . . 0.0 113.204 178.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -115.14 -37.18 4.17 Favored 'General case' 0 N--CA 1.517 2.899 0 N-CA-C 105.432 -2.062 . . . . 0.0 105.432 -160.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 74.4 m -53.28 136.13 37.34 Favored 'General case' 0 CA--C 1.62 3.652 0 CA-C-O 122.396 1.093 . . . . 0.0 112.73 -174.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -136.3 158.22 44.94 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 105.364 -2.087 . . . . 0.0 105.364 173.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -152.03 149.0 28.37 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 128.156 3.41 . . . . 0.0 113.471 -156.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -141.62 142.34 33.44 Favored 'General case' 0 N--CA 1.411 -2.406 0 C-N-CA 127.062 2.145 . . . . 0.0 114.466 -174.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.508 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 3.1 m-20 -84.13 158.56 21.33 Favored 'General case' 0 C--O 1.267 2.0 0 O-C-N 119.856 -1.777 . . . . 0.0 110.374 -172.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -145.41 82.86 9.4 Favored Pre-proline 0 CA--C 1.495 -1.137 0 C-N-CA 128.24 2.616 . . . . 0.0 108.598 162.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -58.95 179.6 0.19 Allowed 'Trans proline' 0 N--CA 1.5 1.885 1 C-N-CA 125.395 4.063 . . . . 0.0 110.582 174.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 161.86 -170.13 37.47 Favored Glycine 0 N--CA 1.515 3.951 0 CA-C-O 116.231 -2.427 . . . . 0.0 113.441 172.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 66.3 ttt-85 -146.57 123.05 11.05 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 121.029 2.415 . . . . 0.0 112.498 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -156.04 161.43 40.43 Favored 'General case' 0 N--CA 1.531 3.614 0 CA-C-N 124.878 3.49 . . . . 0.0 111.661 -166.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -66.3 162.76 19.45 Favored 'General case' 0 CA--C 1.569 1.687 0 CA-C-N 120.997 1.726 . . . . 0.0 107.639 162.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -139.45 156.9 46.66 Favored 'General case' 0 N--CA 1.399 -2.983 0 O-C-N 118.299 -2.751 . . . . 0.0 109.911 -173.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.6 t -120.98 135.3 61.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 -175.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.1 m -140.1 168.9 16.86 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.86 0 O-C-N 118.079 -2.888 . . . . 0.0 109.63 -166.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -131.87 146.51 52.16 Favored 'General case' 0 CA--C 1.588 2.43 0 O-C-N 120.751 -1.218 . . . . 0.0 109.822 159.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 24.3 m -133.91 163.22 30.0 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-O 125.381 2.515 . . . . 0.0 109.275 -176.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -143.9 167.9 21.22 Favored 'General case' 0 N--CA 1.424 -1.766 0 O-C-N 119.899 -1.751 . . . . 0.0 113.368 175.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -58.79 142.57 49.86 Favored 'General case' 0 C--N 1.278 -2.506 0 C-N-CA 127.87 2.468 . . . . 0.0 114.989 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . 0.305 11.0 ptm180 -35.44 121.78 0.6 Allowed 'General case' 0 C--N 1.304 -1.383 0 O-C-N 127.403 2.939 . . . . 0.0 113.162 171.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -49.14 130.69 16.18 Favored Pre-proline 0 C--N 1.307 -1.261 0 C-N-CA 129.903 3.281 . . . . 0.0 111.364 166.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . 0.324 55.1 Cg_endo -61.49 -10.24 15.7 Favored 'Trans proline' 0 C--O 1.187 -2.051 0 C-N-CA 123.585 2.857 . . . . 0.0 117.037 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 59.1 mtm180 -134.85 8.68 3.54 Favored 'General case' 0 CA--C 1.563 1.453 0 O-C-N 117.768 -3.083 . . . . 0.0 114.982 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . 0.277 33.3 t70 -139.22 156.05 47.36 Favored 'General case' 0 N--CA 1.513 2.699 0 N-CA-C 119.543 3.164 . . . . 0.0 119.543 177.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 38.0 m 33.81 58.87 1.89 Allowed Pre-proline 0 CA--C 1.563 1.445 0 C-N-CA 128.692 2.797 . . . . 0.0 117.795 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -49.47 -22.49 6.27 Favored 'Trans proline' 1 N--CA 1.575 6.321 0 CA-C-N 122.301 1.857 . . . . 0.0 111.7 174.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.403 ' NE ' ' HA ' ' A' ' 121' ' ' ARG 0.269 2.3 tpm_? -62.73 -17.86 61.58 Favored 'General case' 0 CA--C 1.559 1.321 0 C-N-CA 127.975 2.51 . . . . 0.0 112.796 177.529 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -125.72 92.28 46.76 Favored Pre-proline 0 C--N 1.287 -2.145 0 C-N-CA 129.046 2.939 . . . . 0.0 116.655 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . 0.285 71.8 Cg_endo -65.93 -19.92 58.06 Favored 'Trans proline' 0 CA--C 1.586 3.098 1 C-N-CA 126.148 4.566 . . . . 0.0 113.126 -169.83 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 1.5 m -136.34 151.82 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.715 0 CA-C-N 111.632 -2.531 . . . . 0.0 105.978 175.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 9.7 m -150.42 143.75 16.77 Favored Pre-proline 0 N--CA 1.394 -3.246 0 CA-C-O 115.183 -2.342 . . . . 0.0 113.382 -172.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -72.14 152.14 56.08 Favored 'Trans proline' 0 N--CA 1.425 -2.513 0 C-N-CA 124.001 3.134 . . . . 0.0 109.348 -174.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 26.7 m -128.46 -11.78 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.533 3.688 0 C-N-CA 125.408 1.483 . . . . 0.0 110.792 174.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -167.25 172.21 10.06 Favored 'General case' 0 CA--C 1.58 2.121 0 O-C-N 116.386 -3.946 . . . . 0.0 110.595 -167.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.7 tp -147.37 122.58 10.21 Favored 'General case' 0 C--O 1.208 -1.114 0 C-N-CA 129.457 3.103 . . . . 0.0 108.097 175.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -113.49 -26.75 8.16 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 119.531 3.16 . . . . 0.0 119.531 -167.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.5 t -174.37 176.63 2.38 Favored 'General case' 0 CA--C 1.495 -1.173 0 C-N-CA 126.666 1.987 . . . . 0.0 112.778 171.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 43.1 p -143.19 146.99 34.18 Favored 'General case' 0 CA--C 1.596 2.748 0 CA-C-O 114.502 -2.666 . . . . 0.0 113.971 174.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.254 1.332 0 CA-C-O 116.046 -1.931 . . . . 0.0 113.834 -168.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 203' ' ' SGN . . . . . 0.405 ' HO3' ' HB2' ' A' ' 40' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 33.0 ttt85 . . . . . 0 CA--C 1.506 -0.719 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -49.66 138.7 32.26 Favored 'Trans proline' 0 C--N 1.392 2.822 0 C-N-CA 121.549 1.499 . . . . 0.0 109.242 169.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.35 68.2 Cg_exo -36.35 -34.1 0.15 Allowed 'Trans proline' 0 N--CA 1.417 -2.99 0 C-N-CA 123.681 2.921 . . . . 0.0 119.167 175.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -143.17 15.96 1.89 Allowed 'General case' 0 C--O 1.187 -2.2 0 O-C-N 118.627 -2.546 . . . . 0.0 115.953 -173.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -139.26 166.27 24.99 Favored 'General case' 0 C--O 1.194 -1.848 0 CA-C-O 126.358 2.98 . . . . 0.0 110.659 -169.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.3 p -80.63 164.88 22.54 Favored 'General case' 0 C--N 1.407 3.085 1 O-C-N 116.262 -4.024 . . . . 0.0 109.152 148.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -62.27 -31.98 72.63 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 174.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.48 -28.44 31.18 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 119.958 -1.714 . . . . 0.0 111.588 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -63.62 -38.3 90.6 Favored 'General case' 0 C--N 1.385 2.116 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 160.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -60.26 -48.18 82.84 Favored 'General case' 0 CA--C 1.575 1.908 0 O-C-N 118.181 -2.824 . . . . 0.0 112.187 172.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -52.62 -41.63 63.87 Favored 'General case' 0 CA--C 1.561 1.374 0 CA-C-O 116.488 -1.72 . . . . 0.0 111.463 174.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.79 -49.06 64.41 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-O 114.367 -2.73 . . . . 0.0 104.743 -177.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.5 mt -59.82 -46.51 93.61 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 CA-C-O 126.287 2.946 . . . . 0.0 116.113 -161.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -65.9 -37.98 87.51 Favored 'General case' 0 N--CA 1.411 -2.395 0 CA-C-N 112.531 -2.122 . . . . 0.0 116.083 175.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -133.58 -4.93 2.91 Favored 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 119.595 3.184 . . . . 0.0 119.595 -156.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.6 mm -125.81 108.13 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 C-N-CA 124.911 1.284 . . . . 0.0 111.866 174.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.8 m -149.02 129.34 13.76 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.086 2.155 . . . . 0.0 109.41 172.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 tp -73.17 -41.4 63.92 Favored 'General case' 0 N--CA 1.504 2.248 0 C-N-CA 128.111 2.564 . . . . 0.0 113.559 -176.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.5 p-10 -140.84 52.37 3.05 Favored Pre-proline 0 CA--C 1.578 2.032 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -173.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -69.1 165.53 29.91 Favored 'Trans proline' 0 N--CA 1.503 2.076 0 C-N-CA 122.331 2.021 . . . . 0.0 113.815 -161.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -79.23 -177.8 4.15 Favored 'Trans proline' 0 C--O 1.257 1.461 0 C-N-CA 124.148 3.232 . . . . 0.0 107.858 167.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.1 mtt-85 -63.92 155.4 30.9 Favored 'General case' 1 N--CA 1.545 4.306 0 C-N-CA 125.245 1.418 . . . . 0.0 113.909 176.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 73.2 m -58.2 -32.3 68.15 Favored 'General case' 0 N--CA 1.428 -1.575 0 O-C-N 116.614 -3.803 . . . . 0.0 119.685 -176.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.5 p -40.76 -26.83 0.04 OUTLIER 'General case' 0 N--CA 1.505 2.28 0 N-CA-C 119.194 3.035 . . . . 0.0 119.194 159.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 23.4 mm -109.74 -47.74 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.303 0 CA-C-N 118.82 0.736 . . . . 0.0 110.275 170.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.56 -43.23 45.88 Favored 'General case' 0 CA--C 1.562 1.411 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -176.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 10.2 mmm -65.13 -22.3 66.91 Favored 'General case' 0 N--CA 1.509 2.519 0 O-C-N 121.66 -0.65 . . . . 0.0 110.155 -176.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -63.73 -22.53 66.95 Favored 'General case' 0 C--N 1.38 1.901 0 CA-C-O 117.605 -1.188 . . . . 0.0 112.6 -174.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.55 -27.26 64.39 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 176.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.404 HD12 ' H ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -111.32 -25.31 3.57 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.303 0 N-CA-C 119.471 3.138 . . . . 0.0 119.471 160.249 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -83.0 -23.63 33.23 Favored 'General case' 0 CA--C 1.588 2.432 0 O-C-N 118.464 -2.647 . . . . 0.0 115.404 -174.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -100.92 22.74 11.67 Favored 'General case' 0 C--O 1.196 -1.743 0 CA-C-N 114.724 -1.125 . . . . 0.0 113.435 166.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -136.72 -59.57 0.71 Allowed 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 114.621 -2.609 . . . . 0.0 107.368 -169.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -65.02 163.27 15.04 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 122.27 2.305 . . . . 0.0 111.779 172.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -69.28 -7.86 40.77 Favored 'General case' 0 CA--C 1.579 2.086 0 C-N-CA 128.535 2.734 . . . . 0.0 113.024 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -147.96 146.31 28.92 Favored 'General case' 0 CA--C 1.596 2.749 0 C-N-CA 126.295 1.838 . . . . 0.0 110.653 -170.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 88.2 m -65.94 127.19 31.07 Favored 'General case' 0 N--CA 1.502 2.158 0 CA-C-O 124.698 2.19 . . . . 0.0 111.521 167.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -75.61 132.78 40.86 Favored 'General case' 0 N--CA 1.516 2.872 0 C-N-CA 127.575 2.35 . . . . 0.0 111.272 172.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -72.25 -53.79 11.48 Favored 'General case' 0 C--N 1.373 1.609 0 CA-C-N 112.836 -1.984 . . . . 0.0 108.232 -168.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -128.13 152.69 47.71 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-O 116.373 -1.775 . . . . 0.0 115.315 -175.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -157.61 155.51 30.26 Favored 'General case' 0 C--O 1.269 2.09 0 CA-C-N 125.13 3.604 . . . . 0.0 111.592 170.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.2 m -126.65 141.65 51.79 Favored 'General case' 0 N--CA 1.506 2.364 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -178.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -133.77 125.55 28.75 Favored 'General case' 0 C--O 1.195 -1.795 0 CA-C-O 117.261 -1.352 . . . . 0.0 109.59 -172.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.1 mt -103.74 135.43 45.3 Favored 'General case' 0 N--CA 1.424 -1.727 0 CA-C-O 115.776 -2.059 . . . . 0.0 108.959 -166.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . 0.314 63.8 mtp180 -82.1 64.73 6.91 Favored 'General case' 0 N--CA 1.511 2.578 0 C-N-CA 128.898 2.879 . . . . 0.0 109.749 174.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.7 t -133.7 -165.63 1.66 Allowed 'General case' 0 C--N 1.371 1.514 0 C-N-CA 126.36 1.864 . . . . 0.0 109.771 170.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.6 p -140.44 145.52 37.09 Favored 'General case' 0 CA--C 1.607 3.172 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -51.13 -45.96 61.79 Favored 'General case' 0 CA--C 1.481 -1.703 0 CA-C-O 117.115 -1.422 . . . . 0.0 111.385 -175.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.8 1.08 1.45 Allowed 'General case' 0 N--CA 1.414 -2.273 0 O-C-N 125.973 2.046 . . . . 0.0 112.146 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -119.04 -6.93 10.44 Favored 'General case' 0 N--CA 1.431 -1.4 0 CA-C-O 124.797 2.237 . . . . 0.0 115.426 172.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.6 t -84.66 -28.07 6.81 Favored 'Isoleucine or valine' 0 C--N 1.388 2.272 0 C-N-CA 130.655 3.582 . . . . 0.0 111.732 169.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.2 t -55.96 -35.05 39.48 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.197 0 O-C-N 118.176 -2.828 . . . . 0.0 112.045 173.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -68.13 -25.11 65.12 Favored 'General case' 0 N--CA 1.507 2.409 0 O-C-N 127.811 3.194 . . . . 0.0 117.619 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.1 t -67.69 -30.92 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.382 0 O-C-N 117.226 -3.421 . . . . 0.0 114.94 174.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 72.6 m -65.79 -31.75 72.89 Favored 'General case' 0 C--O 1.208 -1.08 0 CA-C-O 115.619 -2.134 . . . . 0.0 106.088 175.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.02 -13.69 45.23 Favored Glycine 0 C--N 1.38 3.004 0 CA-C-O 127.006 3.559 . . . . 0.0 112.698 -168.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -55.07 173.06 0.1 Allowed 'General case' 0 C--N 1.301 -1.513 0 O-C-N 117.396 -3.414 . . . . 0.0 111.056 163.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -51.97 142.85 14.85 Favored 'General case' 0 N--CA 1.512 2.657 1 O-C-N 116.068 -4.145 . . . . 0.0 117.003 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.6 m -82.02 143.71 31.38 Favored 'General case' 0 N--CA 1.495 1.786 1 O-C-N 113.878 -5.514 . . . . 0.0 114.517 -178.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . 0.269 7.3 pt -137.06 -174.5 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.204 -1.333 0 C-N-CA 131.216 3.807 . . . . 0.0 109.966 177.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.2 ptt-85 -131.84 141.73 49.51 Favored 'General case' 0 N--CA 1.478 0.942 1 C-N-CA 131.711 4.004 . . . . 0.0 116.056 173.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 76.7 m -128.35 155.53 78.31 Favored Pre-proline 0 N--CA 1.392 -3.35 0 C-N-CA 128.893 2.877 . . . . 0.0 115.824 -174.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -91.29 18.19 1.27 Allowed 'Trans proline' 0 CA--C 1.547 1.128 0 O-C-N 124.902 2.001 . . . . 0.0 112.931 -162.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -140.08 39.75 1.95 Allowed 'General case' 0 N--CA 1.508 2.454 0 C-N-CA 124.877 1.271 . . . . 0.0 109.014 -177.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -154.15 12.42 0.42 Allowed 'General case' 0 N--CA 1.519 2.984 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -160.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -51.42 -18.58 1.08 Allowed 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 115.706 1.743 . . . . 0.0 115.706 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.9 p -56.12 -24.45 40.7 Favored 'General case' 0 N--CA 1.51 2.568 0 CA-C-O 125.31 2.481 . . . . 0.0 117.423 171.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -154.7 -10.67 0.13 Allowed 'General case' 0 C--O 1.245 0.863 0 O-C-N 119.772 -1.83 . . . . 0.0 114.468 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 58.8 t30 54.89 47.12 22.98 Favored 'General case' 0 CA--C 1.492 -1.276 0 O-C-N 118.843 -2.411 . . . . 0.0 116.135 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -155.66 120.95 4.86 Favored 'General case' 0 C--O 1.253 1.281 0 O-C-N 117.645 -3.159 . . . . 0.0 108.586 175.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 24.6 p -138.23 -175.61 4.17 Favored 'General case' 0 CA--C 1.621 3.704 0 C-N-CA 129.48 3.112 . . . . 0.0 105.723 174.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -157.45 172.97 17.62 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 125.573 1.549 . . . . 0.0 108.663 -170.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -149.28 157.2 43.15 Favored 'General case' 0 CA--C 1.57 1.715 0 O-C-N 118.245 -2.784 . . . . 0.0 115.483 178.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 27.6 p -70.64 153.52 42.77 Favored 'General case' 0 CA--C 1.49 -1.346 0 C-N-CA 126.019 1.727 . . . . 0.0 113.864 -171.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.9 mtt-85 -86.68 -13.25 46.0 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 118.93 -2.356 . . . . 0.0 111.606 -175.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -164.78 170.71 15.15 Favored 'General case' 0 CA--C 1.58 2.11 0 C-N-CA 126.383 1.873 . . . . 0.0 114.623 -170.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -88.44 143.7 26.83 Favored 'General case' 0 CA--C 1.498 -1.045 0 C-N-CA 125.322 1.449 . . . . 0.0 110.904 -169.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.9 m -127.88 144.99 53.39 Favored Pre-proline 0 N--CA 1.519 3.021 0 C-N-CA 130.055 3.342 . . . . 0.0 110.329 173.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -57.05 144.14 90.76 Favored 'Trans proline' 0 N--CA 1.441 -1.595 1 C-N-CA 126.353 4.702 . . . . 0.0 109.474 162.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -134.22 173.62 11.4 Favored 'General case' 0 C--O 1.272 2.264 1 C-N-CA 134.108 4.963 . . . . 0.0 113.457 175.773 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.8 tp -128.77 154.38 46.44 Favored 'General case' 0 N--CA 1.509 2.479 0 C-N-CA 125.787 1.635 . . . . 0.0 107.355 157.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -136.14 139.25 42.77 Favored 'General case' 0 C--O 1.257 1.493 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 167.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 69.3 m -109.5 148.73 30.7 Favored 'General case' 0 CA--C 1.491 -1.308 0 C-N-CA 125.792 1.637 . . . . 0.0 111.059 -173.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -144.94 88.88 1.92 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 127.0 2.12 . . . . 0.0 110.325 -159.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 17.7 tp -61.74 108.91 1.08 Allowed 'General case' 0 CA--C 1.577 2.001 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 177.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.5 pt -59.65 -9.83 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.581 2.146 0 N-CA-C 117.737 2.495 . . . . 0.0 117.737 -177.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -127.35 122.5 22.91 Favored Pre-proline 0 CA--C 1.592 2.585 0 O-C-N 119.246 -2.159 . . . . 0.0 110.52 -171.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -65.83 -13.69 41.03 Favored 'Trans proline' 0 C--O 1.196 -1.583 1 C-N-CA 125.45 4.1 . . . . 0.0 112.805 172.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -108.63 -25.55 5.68 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 126.208 1.861 . . . . 0.0 115.049 -167.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.02 128.16 34.79 Favored 'General case' 0 CA--C 1.573 1.863 0 C-N-CA 118.971 -1.092 . . . . 0.0 109.61 -174.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -138.82 -2.66 1.7 Allowed 'General case' 0 C--O 1.262 1.736 0 C-N-CA 125.183 1.393 . . . . 0.0 108.847 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -114.4 134.27 55.11 Favored 'General case' 0 C--O 1.284 2.905 0 N-CA-C 116.644 2.091 . . . . 0.0 116.644 164.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 37.2 pt -63.42 -10.44 6.59 Favored 'Isoleucine or valine' 0 C--O 1.273 2.316 0 C-N-CA 124.135 0.974 . . . . 0.0 112.178 -168.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.3 p -48.59 -31.09 6.08 Favored 'General case' 0 CA--C 1.467 -2.246 0 N-CA-C 117.561 2.43 . . . . 0.0 117.561 162.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -139.48 -20.64 0.93 Allowed 'General case' 0 CA--C 1.574 1.903 0 CA-C-O 116.457 -1.735 . . . . 0.0 113.291 -164.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 4.2 m -70.93 120.65 16.81 Favored 'General case' 0 C--O 1.27 2.15 0 O-C-N 125.518 1.761 . . . . 0.0 111.628 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.2 mtt-85 -128.04 165.22 20.73 Favored 'General case' 0 C--O 1.257 1.494 0 C-N-CA 126.805 2.042 . . . . 0.0 111.025 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -144.55 162.11 37.41 Favored 'General case' 0 CA--C 1.586 2.341 0 CA-C-O 123.882 1.801 . . . . 0.0 107.999 -156.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.04 157.9 36.74 Favored 'General case' 0 C--N 1.385 2.118 0 CA-C-N 112.016 -2.356 . . . . 0.0 116.072 163.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -112.8 106.61 14.98 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-O 126.467 3.032 . . . . 0.0 105.918 -163.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -103.8 88.56 1.91 Allowed Pre-proline 0 N--CA 1.534 3.768 0 O-C-N 117.559 -3.213 . . . . 0.0 113.226 172.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -46.99 173.37 0.03 OUTLIER 'Trans proline' 0 CA--C 1.586 3.123 0 C-N-CA 123.366 2.711 . . . . 0.0 116.575 165.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 177.58 -173.01 45.77 Favored Glycine 1 CA--C 1.581 4.159 0 O-C-N 120.066 -1.646 . . . . 0.0 112.125 156.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 56.7 ttt-85 -140.26 103.27 4.55 Favored 'General case' 0 C--N 1.4 2.784 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 -176.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 86.7 mtm-85 -151.43 150.08 30.01 Favored 'General case' 0 N--CA 1.509 2.524 0 N-CA-C 116.327 1.973 . . . . 0.0 116.327 -166.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -62.27 168.64 3.3 Favored 'General case' 0 N--CA 1.499 1.98 0 CA-C-N 112.871 -1.968 . . . . 0.0 109.244 169.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -151.15 154.45 36.93 Favored 'General case' 0 C--O 1.21 -1.0 0 O-C-N 120.399 -1.438 . . . . 0.0 112.893 -177.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.49 132.27 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.184 0 N-CA-C 105.793 -1.929 . . . . 0.0 105.793 -165.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.7 m -148.96 157.88 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 CA-C-O 124.542 2.115 . . . . 0.0 108.348 -164.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -123.47 162.76 22.21 Favored 'General case' 0 C--N 1.373 1.617 0 O-C-N 119.144 -2.223 . . . . 0.0 110.551 167.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 10.6 m -134.95 -179.66 5.75 Favored 'General case' 0 CA--C 1.587 2.402 0 CA-C-N 113.094 -1.867 . . . . 0.0 112.959 -162.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -144.13 164.12 31.59 Favored 'General case' 0 C--O 1.208 -1.127 0 C-N-CA 131.147 3.779 . . . . 0.0 113.454 -176.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -62.11 146.94 49.04 Favored 'General case' 0 C--O 1.262 1.711 0 C-N-CA 125.287 1.435 . . . . 0.0 107.435 169.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -45.06 141.67 2.2 Favored 'General case' 0 N--CA 1.503 2.197 0 CA-C-N 122.199 2.272 . . . . 0.0 112.723 163.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -63.68 152.66 85.74 Favored Pre-proline 0 C--O 1.263 1.779 0 C-N-CA 125.512 1.525 . . . . 0.0 110.696 -171.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -47.97 -27.1 8.3 Favored 'Trans proline' 0 CA--C 1.559 1.766 0 C-N-CA 124.007 3.138 . . . . 0.0 116.118 168.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 61.3 mtm180 -147.97 -32.61 0.26 Allowed 'General case' 0 N--CA 1.531 3.617 0 N-CA-C 119.397 3.11 . . . . 0.0 119.397 168.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -65.02 159.49 23.02 Favored 'General case' 0 N--CA 1.514 2.754 0 CA-C-N 121.869 2.122 . . . . 0.0 116.201 -177.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 48.9 m 40.63 49.91 3.46 Favored Pre-proline 0 C--N 1.369 1.437 0 N-CA-C 118.877 2.917 . . . . 0.0 118.877 170.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -73.14 -10.84 24.79 Favored 'Trans proline' 0 C--N 1.321 -0.919 0 N-CA-C 118.827 2.587 . . . . 0.0 118.827 -169.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -42.47 -28.99 0.25 Allowed 'General case' 0 CA--C 1.475 -1.922 0 CA-C-O 114.727 -2.558 . . . . 0.0 112.742 158.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -124.08 134.62 25.56 Favored Pre-proline 0 N--CA 1.516 2.857 0 CA-C-N 124.05 3.114 . . . . 0.0 112.535 -174.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -73.74 -11.72 24.07 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 O-C-N 127.874 3.565 . . . . 0.0 115.939 -176.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.2 m -141.94 163.42 19.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.771 1 C-N-CA 132.544 4.338 . . . . 0.0 109.041 -174.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 10.0 m -136.56 147.95 61.78 Favored Pre-proline 0 N--CA 1.509 2.519 0 CA-C-O 116.7 -1.619 . . . . 0.0 113.814 156.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -84.44 135.75 6.22 Favored 'Trans proline' 0 CA--C 1.573 2.435 1 C-N-CA 125.559 4.173 . . . . 0.0 108.31 168.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 18.0 m -146.03 6.37 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.265 1.903 1 O-C-N 129.146 4.029 . . . . 0.0 118.57 -163.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -163.26 136.95 5.84 Favored 'General case' 0 CA--C 1.569 1.693 1 O-C-N 115.013 -4.805 . . . . 0.0 109.141 172.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 57.8 tp -84.59 140.56 31.3 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 128.453 2.701 . . . . 0.0 112.078 169.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . 0.267 23.0 t70 -113.83 -54.48 2.6 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 176.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 14.1 t -165.22 175.68 9.06 Favored 'General case' 0 CA--C 1.593 2.632 0 O-C-N 123.973 0.796 . . . . 0.0 110.62 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 49.6 p -131.8 146.93 52.42 Favored 'General case' 0 CA--C 1.58 2.133 0 C-N-CA 126.772 2.029 . . . . 0.0 109.712 163.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.518 2.929 0 N-CA-C 119.355 3.094 . . . . 0.0 119.355 -175.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 203' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 . . . . . 0 CA--C 1.551 1.012 0 CA-C-O 119.637 -0.22 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -42.87 145.78 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 125.079 2.094 . . . . 0.0 112.624 172.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -42.97 -11.22 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.384 1 C-N-CA 127.806 5.671 . . . . 0.0 119.764 -175.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -163.86 5.01 0.04 OUTLIER 'General case' 0 C--O 1.263 1.77 0 O-C-N 118.151 -2.843 . . . . 0.0 114.87 -174.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -147.4 164.21 34.04 Favored 'General case' 0 N--CA 1.504 2.239 0 CA-C-O 123.983 1.849 . . . . 0.0 109.172 178.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.7 p -67.56 167.25 13.29 Favored 'General case' 0 CA--C 1.571 1.775 0 O-C-N 120.234 -1.541 . . . . 0.0 110.23 164.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -78.01 -30.55 50.08 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 117.513 -3.242 . . . . 0.0 105.245 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.43 -42.56 78.28 Favored 'General case' 0 N--CA 1.42 -1.975 0 C-N-CA 127.194 2.198 . . . . 0.0 110.469 171.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -73.42 -44.14 58.97 Favored 'General case' 0 CA--C 1.586 2.328 0 C-N-CA 125.468 1.507 . . . . 0.0 109.851 176.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -69.87 -41.82 74.3 Favored 'General case' 0 N--CA 1.483 1.185 1 O-C-N 116.119 -4.113 . . . . 0.0 114.453 -173.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -53.05 -48.05 67.96 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-O 123.367 1.556 . . . . 0.0 112.842 168.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . 0.257 . . -58.42 -59.01 6.01 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-O 114.843 -2.503 . . . . 0.0 113.76 170.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.82 -16.01 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.279 0 CA-C-N 121.327 1.876 . . . . 0.0 112.407 -177.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -90.95 -14.16 32.1 Favored 'General case' 0 C--N 1.377 1.778 0 C-N-CA 115.958 -2.297 . . . . 0.0 113.163 174.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -169.05 -5.21 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.232 0 CA-C-N 124.832 3.469 . . . . 0.0 115.707 -145.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.7 mm -127.72 99.51 5.3 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.842 0 CA-C-N 124.196 3.18 . . . . 0.0 110.877 -178.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -147.57 105.95 3.78 Favored 'General case' 0 C--O 1.208 -1.118 0 O-C-N 118.068 -2.895 . . . . 0.0 108.219 -170.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.1 tp -50.46 -42.06 53.82 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 129.385 3.074 . . . . 0.0 115.223 -174.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . 0.318 44.6 p-10 -147.85 54.64 1.93 Allowed Pre-proline 0 C--O 1.195 -1.816 0 CA-C-N 119.421 1.01 . . . . 0.0 108.36 -162.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -68.67 167.87 21.63 Favored 'Trans proline' 0 N--CA 1.506 2.255 1 C-N-CA 125.776 4.318 . . . . 0.0 114.576 -157.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -85.91 -166.07 0.31 Allowed 'Trans proline' 0 C--O 1.253 1.252 0 C-N-CA 122.626 2.217 . . . . 0.0 113.141 176.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.4 mtt-85 -68.1 147.72 51.94 Favored 'General case' 0 N--CA 1.417 -2.125 0 C-N-CA 124.759 1.224 . . . . 0.0 110.659 171.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 79.0 m -52.25 -23.06 5.07 Favored 'General case' 0 N--CA 1.507 2.41 0 N-CA-C 119.284 3.068 . . . . 0.0 119.284 168.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.5 p -50.4 -37.81 39.58 Favored 'General case' 0 C--N 1.307 -1.247 0 C-N-CA 125.637 1.575 . . . . 0.0 113.144 163.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.6 mm -99.73 -53.57 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.295 0 N-CA-C 105.67 -1.974 . . . . 0.0 105.67 -172.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . 0.269 . . -66.71 -33.73 76.29 Favored 'General case' 0 CA--C 1.602 2.947 0 C-N-CA 124.543 1.137 . . . . 0.0 113.552 -169.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.7 mmm -71.06 -14.54 62.36 Favored 'General case' 0 N--CA 1.533 3.702 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 176.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -58.08 -34.05 69.74 Favored 'General case' 0 N--CA 1.507 2.42 0 N-CA-C 105.789 -1.93 . . . . 0.0 105.789 177.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.294 . . -57.15 -15.1 4.84 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 126.165 1.786 . . . . 0.0 114.506 -173.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.75 -30.16 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 CA-C-N 120.994 1.724 . . . . 0.0 108.549 167.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -86.46 -22.01 26.72 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-O 126.418 3.009 . . . . 0.0 117.208 -168.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -88.48 -7.75 56.02 Favored 'General case' 0 CA--C 1.581 2.146 0 O-C-N 116.681 -3.762 . . . . 0.0 108.509 171.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -111.57 -19.12 12.64 Favored 'General case' 0 N--CA 1.527 3.397 0 C-N-CA 130.28 3.432 . . . . 0.0 115.335 -169.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -118.21 153.16 34.34 Favored 'General case' 0 C--O 1.252 1.237 0 CA-C-O 124.591 2.139 . . . . 0.0 113.266 170.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -65.06 -3.38 3.56 Favored 'General case' 0 N--CA 1.51 2.544 0 N-CA-C 120.005 3.335 . . . . 0.0 120.005 -170.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -145.98 168.28 21.25 Favored 'General case' 0 C--N 1.368 1.405 0 CA-C-O 125.483 2.563 . . . . 0.0 111.479 158.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 76.9 m -61.9 112.7 2.42 Favored 'General case' 0 N--CA 1.511 2.611 0 O-C-N 117.496 -3.253 . . . . 0.0 112.55 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -62.15 122.28 15.19 Favored 'General case' 0 CA--C 1.597 2.782 0 CA-C-O 114.971 -2.442 . . . . 0.0 112.424 165.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -55.59 -32.6 63.2 Favored 'General case' 0 N--CA 1.414 -2.268 0 N-CA-C 118.652 2.834 . . . . 0.0 118.652 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -147.09 154.17 40.82 Favored 'General case' 0 C--N 1.381 1.944 0 N-CA-C 117.154 2.279 . . . . 0.0 117.154 171.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -163.43 170.95 16.67 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 118.624 -1.231 . . . . 0.0 112.331 164.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 75.9 m -136.59 151.63 49.57 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-O 122.748 1.261 . . . . 0.0 110.273 -173.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -132.44 119.93 21.3 Favored 'General case' 0 CA--C 1.488 -1.442 0 CA-C-N 109.837 -3.347 . . . . 0.0 111.771 -178.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.4 mt -95.52 124.9 39.77 Favored 'General case' 0 C--O 1.197 -1.666 0 N-CA-C 105.444 -2.058 . . . . 0.0 105.444 -167.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -76.96 74.31 3.55 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-O 117.384 -1.293 . . . . 0.0 110.301 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.1 t -149.2 -173.53 4.4 Favored 'General case' 0 N--CA 1.515 2.798 0 C-N-CA 128.515 2.726 . . . . 0.0 111.478 -175.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 34.5 p -137.07 133.29 35.25 Favored 'General case' 0 C--O 1.272 2.238 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -49.92 -36.31 27.11 Favored 'General case' 0 C--O 1.248 0.997 0 O-C-N 118.017 -2.927 . . . . 0.0 115.741 -162.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.4 -27.32 62.28 Favored 'General case' 0 N--CA 1.537 3.908 0 CA-C-O 115.487 -2.197 . . . . 0.0 116.291 174.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -62.32 -43.57 98.51 Favored 'General case' 0 N--CA 1.404 -2.728 0 O-C-N 126.935 2.647 . . . . 0.0 111.016 166.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.2 t -61.36 -32.42 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.537 3.913 0 CA-C-O 116.86 -1.543 . . . . 0.0 110.28 174.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.7 t -69.24 -35.11 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.808 0 CA-C-O 113.523 -3.132 . . . . 0.0 114.86 169.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -63.32 -30.71 71.79 Favored 'General case' 0 C--O 1.191 -2.023 0 C-N-CA 115.059 -2.657 . . . . 0.0 111.8 167.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 32.5 t -67.28 -27.94 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.593 0 O-C-N 119.365 -2.084 . . . . 0.0 111.153 175.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . 0.286 28.5 m -61.41 -8.45 4.07 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 127.373 2.269 . . . . 0.0 113.681 165.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -112.17 -20.11 6.85 Favored Glycine 0 CA--C 1.459 -3.412 0 CA-C-O 116.851 -2.083 . . . . 0.0 116.855 165.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -52.14 163.65 0.36 Allowed 'General case' 0 CA--C 1.59 2.514 0 CA-C-N 120.147 1.973 . . . . 0.0 114.034 165.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -57.66 158.46 6.08 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 -160.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 74.1 m -89.29 131.33 35.43 Favored 'General case' 0 CA--C 1.575 1.913 0 CA-C-O 123.345 1.545 . . . . 0.0 107.674 -176.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.9 pt -133.78 177.4 7.09 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.774 0 C-N-CA 130.326 3.45 . . . . 0.0 109.03 172.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -122.61 142.6 50.46 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 119.002 -2.311 . . . . 0.0 111.789 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 89.9 m -131.07 147.27 65.61 Favored Pre-proline 0 CA--C 1.561 1.369 0 N-CA-C 108.174 -1.046 . . . . 0.0 108.174 -164.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -67.39 -2.24 7.89 Favored 'Trans proline' 0 C--N 1.299 -2.046 1 C-N-CA 128.566 6.177 . . . . 0.0 117.038 -171.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -135.6 34.54 2.95 Favored 'General case' 0 C--O 1.294 3.414 0 C-N-CA 126.285 1.834 . . . . 0.0 109.879 -169.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.276 9.4 t-20 -131.97 16.3 4.69 Favored 'General case' 0 C--O 1.277 2.531 0 CA-C-O 115.354 -2.26 . . . . 0.0 114.562 -156.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 -51.77 -11.54 0.15 Allowed 'General case' 0 N--CA 1.497 1.905 0 C-N-CA 128.021 2.528 . . . . 0.0 114.921 175.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.5 p -72.75 -22.95 60.78 Favored 'General case' 0 C--O 1.244 0.779 0 O-C-N 125.24 1.587 . . . . 0.0 109.696 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -155.54 -20.56 0.11 Allowed 'General case' 0 CA--C 1.575 1.929 0 N-CA-C 119.634 3.198 . . . . 0.0 119.634 -178.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.353 11.6 t-20 76.72 10.58 2.72 Favored 'General case' 1 N--CA 1.561 5.116 0 CA-C-N 113.784 -1.553 . . . . 0.0 115.121 177.972 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -131.62 145.48 51.71 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 125.963 1.705 . . . . 0.0 107.309 -177.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . 0.268 22.8 p -151.23 -179.34 7.26 Favored 'General case' 0 C--O 1.202 -1.438 1 C-N-CA 132.714 4.406 . . . . 0.0 107.657 170.942 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -150.89 165.8 32.53 Favored 'General case' 0 CA--C 1.588 2.411 1 CA-C-N 105.816 -5.175 . . . . 0.0 115.036 -177.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -145.85 145.36 30.72 Favored 'General case' 0 N--CA 1.531 3.577 0 C-N-CA 130.257 3.423 . . . . 0.0 112.206 -174.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.2 p -57.09 140.28 49.78 Favored 'General case' 1 C--N 1.237 -4.31 0 C-N-CA 126.111 1.765 . . . . 0.0 112.798 -175.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -52.69 -40.27 62.76 Favored 'General case' 0 CA--C 1.557 1.248 0 O-C-N 128.658 3.724 . . . . 0.0 113.94 168.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -139.63 159.46 42.11 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.191 -1.568 . . . . 0.0 109.754 -174.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 73.6 mtm180 -65.51 161.43 20.14 Favored 'General case' 0 N--CA 1.426 -1.662 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 173.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.3 m -133.46 145.14 55.2 Favored Pre-proline 0 C--N 1.359 0.993 0 CA-C-N 114.237 -1.347 . . . . 0.0 114.483 161.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -40.25 153.55 0.06 OUTLIER 'Trans proline' 0 C--O 1.205 -1.134 0 O-C-N 115.919 -2.727 . . . . 0.0 111.042 153.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.74 179.07 9.56 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 117.332 2.345 . . . . 0.0 117.332 171.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.8 tp -134.18 104.64 6.28 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 124.313 1.045 . . . . 0.0 112.267 178.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -75.44 154.01 37.31 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 117.174 -1.393 . . . . 0.0 112.147 163.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 60.5 m -142.83 147.61 35.71 Favored 'General case' 0 CA--C 1.475 -1.929 0 C-N-CA 125.096 1.359 . . . . 0.0 109.452 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -156.64 123.52 5.18 Favored 'General case' 0 C--N 1.315 -0.904 0 O-C-N 125.108 1.505 . . . . 0.0 110.532 -153.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.9 tp -73.59 103.47 4.21 Favored 'General case' 0 CA--C 1.578 2.042 0 O-C-N 127.872 3.233 . . . . 0.0 111.023 177.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.366 32.1 pt -74.04 32.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.266 1.968 0 C-N-CA 128.381 2.672 . . . . 0.0 112.493 174.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -148.02 106.39 3.65 Favored Pre-proline 0 C--O 1.256 1.402 0 CA-C-O 115.13 -2.367 . . . . 0.0 111.031 169.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -77.2 19.81 0.69 Allowed 'Trans proline' 0 CA--C 1.561 1.875 0 O-C-N 125.486 2.308 . . . . 0.0 115.631 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -136.14 -13.13 1.05 Allowed Glycine 0 N--CA 1.418 -2.515 1 CA-C-O 111.308 -5.162 . . . . 0.0 112.327 164.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.14 149.03 29.23 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 123.246 3.523 . . . . 0.0 112.588 170.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -143.84 -8.37 0.72 Allowed 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 175.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -122.61 137.51 54.87 Favored 'General case' 0 N--CA 1.499 2.0 0 C-N-CA 130.101 3.361 . . . . 0.0 110.31 -174.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 38.0 pt -63.72 -18.79 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.329 0 O-C-N 116.394 -3.941 . . . . 0.0 113.185 -171.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 64.5 p -56.29 -18.08 9.55 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 118.025 2.602 . . . . 0.0 118.025 160.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -132.52 -13.14 3.01 Favored 'General case' 0 C--N 1.382 2.015 0 N-CA-C 116.307 1.966 . . . . 0.0 116.307 -177.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 72.4 m -74.15 108.16 6.78 Favored 'General case' 0 CA--C 1.565 1.545 0 CA-C-N 111.642 -2.526 . . . . 0.0 109.808 178.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -117.81 146.65 43.7 Favored 'General case' 0 C--O 1.193 -1.87 0 CA-C-N 112.97 -1.923 . . . . 0.0 109.082 -179.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -128.68 162.11 28.12 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 119.392 -2.067 . . . . 0.0 109.052 -163.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -129.17 139.44 51.9 Favored 'General case' 0 C--O 1.248 0.993 0 C-N-CA 127.247 2.219 . . . . 0.0 108.463 169.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . 0.294 1.6 m-20 -66.1 111.66 3.5 Favored 'General case' 0 C--N 1.288 -2.067 0 C-N-CA 129.58 3.152 . . . . 0.0 110.78 158.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -109.27 99.95 38.76 Favored Pre-proline 0 CA--C 1.558 1.276 0 C-N-CA 127.074 2.15 . . . . 0.0 107.788 162.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -71.88 171.9 15.64 Favored 'Trans proline' 0 C--O 1.292 3.203 1 C-N-CA 125.47 4.113 . . . . 0.0 113.819 176.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -175.96 -173.08 41.33 Favored Glycine 0 N--CA 1.512 3.755 1 C-N-CA 130.87 4.081 . . . . 0.0 114.79 174.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -157.67 115.25 3.04 Favored 'General case' 0 C--N 1.403 2.907 0 CA-C-O 113.451 -3.166 . . . . 0.0 106.595 175.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 85.5 mtm-85 -150.2 148.39 28.86 Favored 'General case' 0 CA--C 1.569 1.708 1 O-C-N 131.406 5.441 . . . . 0.0 107.074 -168.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -65.48 164.67 13.49 Favored 'General case' 0 N--CA 1.502 2.168 0 C-N-CA 124.91 1.284 . . . . 0.0 108.415 156.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -151.67 151.63 31.72 Favored 'General case' 0 N--CA 1.52 3.049 0 O-C-N 120.037 -1.664 . . . . 0.0 112.118 -170.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 39.6 t -128.22 125.38 64.17 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.286 0 O-C-N 125.013 1.446 . . . . 0.0 110.476 -160.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.6 m -132.64 170.5 19.84 Favored 'Isoleucine or valine' 0 C--O 1.275 2.423 0 O-C-N 120.862 -1.149 . . . . 0.0 108.315 -171.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -122.08 159.42 27.14 Favored 'General case' 0 N--CA 1.512 2.639 0 CA-C-O 122.664 1.221 . . . . 0.0 109.071 159.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 22.4 m -134.84 151.91 51.31 Favored 'General case' 0 N--CA 1.436 -1.145 0 O-C-N 119.457 -2.027 . . . . 0.0 112.304 -173.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -118.26 170.49 8.85 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 120.873 -1.142 . . . . 0.0 112.432 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -57.98 144.71 38.56 Favored 'General case' 0 N--CA 1.401 -2.884 0 C-N-CA 128.256 2.622 . . . . 0.0 111.337 167.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -39.83 150.25 0.05 Allowed 'General case' 0 N--CA 1.52 3.074 0 CA-C-N 113.557 -1.656 . . . . 0.0 114.447 170.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -72.35 143.62 85.81 Favored Pre-proline 0 N--CA 1.524 3.241 0 CA-C-O 114.852 -2.499 . . . . 0.0 108.019 175.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -47.05 -28.3 7.19 Favored 'Trans proline' 0 N--CA 1.428 -2.341 0 C-N-CA 124.702 3.601 . . . . 0.0 113.237 175.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 117' ' ' ARG . 34.7 mtm105 -133.47 -37.88 0.94 Allowed 'General case' 0 N--CA 1.513 2.692 0 O-C-N 119.522 -1.986 . . . . 0.0 111.135 -166.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.6 158.81 15.29 Favored 'General case' 0 CA--C 1.574 1.873 0 CA-C-O 124.752 2.215 . . . . 0.0 106.674 -161.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.9 m 42.46 67.62 3.31 Favored Pre-proline 0 C--O 1.293 3.361 0 N-CA-C 116.632 2.086 . . . . 0.0 116.632 175.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -76.16 -2.96 13.23 Favored 'Trans proline' 0 CA--C 1.58 2.79 0 N-CA-C 119.195 2.729 . . . . 0.0 119.195 -169.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . 0.288 23.7 ttm180 -73.6 -14.37 61.17 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.01 -1.681 . . . . 0.0 114.575 174.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 11.0 m-30 -114.63 132.17 23.02 Favored Pre-proline 0 N--CA 1.42 -1.954 0 C-N-CA 127.337 2.255 . . . . 0.0 106.97 -173.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -85.78 -30.58 0.42 Allowed 'Trans proline' 0 N--CA 1.417 -3.003 0 C-N-CA 124.809 3.673 . . . . 0.0 112.645 166.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.44 145.3 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 CA-C-O 116.491 -1.719 . . . . 0.0 107.799 175.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 19.4 m -133.92 149.15 70.94 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 127.789 3.181 . . . . 0.0 118.261 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -79.41 144.53 18.08 Favored 'Trans proline' 0 C--O 1.28 2.625 0 C-N-CA 124.413 3.409 . . . . 0.0 108.156 -171.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 16.1 m -138.08 -32.18 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.268 2.079 0 C-N-CA 126.754 2.022 . . . . 0.0 114.453 -165.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -144.04 162.53 35.98 Favored 'General case' 0 C--N 1.294 -1.82 0 C-N-CA 125.47 1.508 . . . . 0.0 109.762 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 19.9 tp -137.02 130.58 31.61 Favored 'General case' 0 C--O 1.196 -1.735 0 CA-C-O 112.039 -3.838 . . . . 0.0 106.87 -176.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.75 -46.15 3.16 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 123.001 2.637 . . . . 0.0 114.606 -170.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.0 t -148.06 171.01 16.52 Favored 'General case' 0 CA--C 1.598 2.79 0 O-C-N 124.548 1.155 . . . . 0.0 109.006 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 33.5 p -137.03 138.86 40.93 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 103.181 -2.896 . . . . 0.0 103.181 167.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.502 2.171 0 C-N-CA 125.104 1.362 . . . . 0.0 114.516 -173.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 203' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.426 ' HA ' ' HD2' ' A' ' 2' ' ' PRO . 41.2 ttt85 . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 1' ' ' ARG . 33.6 Cg_endo -59.04 164.82 9.58 Favored 'Trans proline' 0 CA--C 1.592 3.411 0 O-C-N 125.329 2.226 . . . . 0.0 112.577 -175.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 0.0 OUTLIER -47.89 -44.25 27.71 Favored 'Trans proline' 0 N--CA 1.503 2.055 0 C-N-CA 125.167 3.912 . . . . 0.0 116.873 -144.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -131.22 14.6 5.12 Favored 'General case' 0 CA--C 1.567 1.633 0 CA-C-O 113.019 -3.372 . . . . 0.0 117.784 175.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -139.95 163.8 31.69 Favored 'General case' 0 C--N 1.308 -1.232 1 O-C-N 129.3 4.125 . . . . 0.0 110.485 -165.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 0.265 3.0 p -75.41 152.5 38.0 Favored 'General case' 0 N--CA 1.533 3.705 0 O-C-N 119.438 -2.039 . . . . 0.0 112.763 153.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -58.87 -37.01 75.57 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 117.333 -1.318 . . . . 0.0 113.214 -175.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . 0.298 . . -54.27 -53.78 49.01 Favored 'General case' 0 C--N 1.365 1.242 0 O-C-N 126.958 2.661 . . . . 0.0 115.216 166.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -56.81 -58.02 9.94 Favored 'General case' 0 CA--C 1.444 -3.113 0 CA-C-O 124.391 2.043 . . . . 0.0 114.725 175.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.268 4.8 t-105 -46.37 -28.42 1.34 Allowed 'General case' 0 C--N 1.416 3.464 0 O-C-N 118.174 -2.829 . . . . 0.0 115.398 168.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.415 ' CE2' ' HB2' ' A' ' 126' ' ' PRO . 35.9 t80 -76.19 -36.72 58.54 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 126.372 1.869 . . . . 0.0 110.561 175.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.06 -34.32 24.25 Favored 'General case' 0 N--CA 1.416 -2.131 0 O-C-N 125.66 1.85 . . . . 0.0 109.749 -170.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.5 mt -60.1 -38.46 77.02 Favored 'Isoleucine or valine' 0 C--N 1.359 1.004 0 C-N-CA 127.468 2.307 . . . . 0.0 114.65 170.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -85.95 -19.46 30.42 Favored 'General case' 0 CA--C 1.578 2.032 0 CA-C-O 115.13 -2.367 . . . . 0.0 109.634 -176.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -147.18 -14.21 0.41 Allowed 'General case' 0 CA--C 1.588 2.44 0 CA-C-N 124.319 3.236 . . . . 0.0 115.649 -164.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 46.2 mm -133.41 112.61 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 1 O-C-N 114.711 -4.993 . . . . 0.0 110.402 -163.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.8 m -155.57 108.75 2.74 Favored 'General case' 0 CA--C 1.475 -1.936 0 N-CA-C 101.861 -3.385 . . . . 0.0 101.861 -170.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.5 tp -41.35 -59.0 1.68 Allowed 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 122.202 2.273 . . . . 0.0 113.299 164.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -131.91 76.88 73.13 Favored Pre-proline 0 N--CA 1.489 1.494 1 O-C-N 129.578 4.299 . . . . 0.0 110.6 -175.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -59.43 156.88 33.7 Favored 'Trans proline' 0 C--N 1.379 2.179 1 C-N-CA 127.719 5.613 . . . . 0.0 112.62 176.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -77.73 172.57 15.5 Favored 'Trans proline' 0 C--N 1.352 0.717 0 CA-C-N 121.108 1.432 . . . . 0.0 113.598 156.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -41.42 136.03 1.87 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 126.903 2.627 . . . . 0.0 112.336 168.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 83.5 m -44.18 -35.7 2.34 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-O 113.902 -2.951 . . . . 0.0 112.314 174.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.6 p -52.63 -28.43 21.36 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 122.778 2.535 . . . . 0.0 112.069 172.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.5 mm -94.52 -43.97 13.27 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.143 0 C-N-CA 127.978 2.511 . . . . 0.0 112.673 178.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.81 -20.32 59.82 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 122.371 1.082 . . . . 0.0 113.399 -162.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 68.0 mmm -84.27 -19.13 34.36 Favored 'General case' 0 CA--C 1.499 -1.004 0 C-N-CA 125.78 1.632 . . . . 0.0 109.025 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -72.86 -20.12 61.17 Favored 'General case' 0 C--N 1.371 1.53 0 O-C-N 119.201 -2.187 . . . . 0.0 106.34 -176.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.53 -31.33 6.33 Favored 'General case' 0 C--O 1.201 -1.456 0 CA-C-O 117.523 -1.227 . . . . 0.0 113.228 165.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.3 pt -128.52 -39.47 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.225 0 CA-C-N 122.132 2.242 . . . . 0.0 112.578 -173.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.299 2.4 m-20 -63.91 -29.34 70.52 Favored 'General case' 0 N--CA 1.427 -1.593 0 O-C-N 118.549 -2.594 . . . . 0.0 117.116 171.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -108.83 45.65 1.02 Allowed 'General case' 0 C--O 1.203 -1.378 0 O-C-N 125.852 1.97 . . . . 0.0 108.712 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -156.25 -30.24 0.09 Allowed 'General case' 1 CA--C 1.632 4.132 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -91.0 161.92 14.94 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 128.533 2.733 . . . . 0.0 110.23 165.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 25.3 p-90 -66.37 -21.5 66.23 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 -172.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -145.97 175.95 10.06 Favored 'General case' 0 N--CA 1.528 3.459 0 CA-C-O 124.684 2.183 . . . . 0.0 107.798 176.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 38.9 m -85.75 125.93 33.6 Favored 'General case' 0 CA--C 1.565 1.553 0 CA-C-O 113.641 -3.076 . . . . 0.0 111.842 -168.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -64.09 127.79 32.98 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-N 122.242 2.292 . . . . 0.0 111.942 162.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -59.79 -51.63 68.91 Favored 'General case' 0 CA--C 1.585 2.308 0 C-N-CA 126.351 1.86 . . . . 0.0 111.934 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -134.46 151.07 50.92 Favored 'General case' 0 C--O 1.256 1.429 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.309 -173.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -148.35 171.04 16.64 Favored 'General case' 0 CA--C 1.591 2.556 0 O-C-N 124.782 1.301 . . . . 0.0 110.634 165.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.7 m -139.13 136.5 35.2 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 126.075 1.75 . . . . 0.0 113.927 168.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -114.77 131.16 56.88 Favored 'General case' 0 CA--C 1.58 2.113 0 N-CA-C 104.717 -2.327 . . . . 0.0 104.717 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.5 mt -87.32 131.28 34.31 Favored 'General case' 0 N--CA 1.504 2.23 0 C-N-CA 129.42 3.088 . . . . 0.0 109.129 170.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . 0.343 15.2 mtp180 -78.63 64.59 3.69 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 130.076 3.35 . . . . 0.0 113.145 173.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.347 12.9 t -147.88 179.49 7.68 Favored 'General case' 0 C--O 1.186 -2.26 0 C-N-CA 130.454 3.502 . . . . 0.0 115.468 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.0 p -109.51 146.93 33.78 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 128.828 2.851 . . . . 0.0 113.732 -175.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -57.64 -37.11 72.76 Favored 'General case' 0 C--N 1.384 2.073 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 -174.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.93 -29.16 64.92 Favored 'General case' 0 N--CA 1.398 -3.055 0 N-CA-C 116.535 2.05 . . . . 0.0 116.535 173.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -90.18 -23.5 21.29 Favored 'General case' 0 C--O 1.278 2.558 0 O-C-N 119.742 -1.849 . . . . 0.0 108.731 -175.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.7 t -71.5 -27.55 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.331 0 CA-C-N 122.19 2.268 . . . . 0.0 110.385 163.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.422 HG22 ' CD1' ' A' ' 122' ' ' TYR . 6.1 t -64.14 -23.56 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 O-C-N 116.713 -3.742 . . . . 0.0 116.269 164.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -65.55 -35.49 81.01 Favored 'General case' 0 N--CA 1.413 -2.312 0 CA-C-O 117.37 -1.3 . . . . 0.0 112.027 166.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 65.0 t -79.63 -23.75 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.742 0 C-N-CA 127.476 2.31 . . . . 0.0 116.322 -172.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.6 m -55.74 -28.79 57.71 Favored 'General case' 0 N--CA 1.517 2.911 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 154.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.8 -5.24 57.65 Favored Glycine 0 C--O 1.25 1.142 0 O-C-N 127.841 3.213 . . . . 0.0 114.496 -173.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -83.77 147.46 27.59 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 130.542 3.537 . . . . 0.0 108.441 170.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -45.69 124.03 4.8 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 116.689 2.107 . . . . 0.0 116.689 -166.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 m -57.19 134.45 55.91 Favored 'General case' 0 C--O 1.255 1.346 0 O-C-N 119.329 -2.107 . . . . 0.0 116.267 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.2 pt -132.44 172.29 16.64 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.29 1 C-N-CA 131.958 4.103 . . . . 0.0 113.021 -178.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.65 144.14 26.96 Favored 'General case' 0 CA--C 1.483 -1.606 0 C-N-CA 128.701 2.8 . . . . 0.0 117.663 167.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 89.3 m -141.96 158.38 62.16 Favored Pre-proline 0 N--CA 1.509 2.504 0 CA-C-O 117.277 -1.344 . . . . 0.0 114.313 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -88.47 16.28 1.9 Allowed 'Trans proline' 0 C--N 1.367 1.502 0 N-CA-C 118.859 2.6 . . . . 0.0 118.859 -161.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -130.02 25.51 5.25 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 119.451 -2.031 . . . . 0.0 115.951 165.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -120.37 9.03 10.88 Favored 'General case' 0 N--CA 1.503 2.21 0 CA-C-N 115.167 -0.924 . . . . 0.0 113.149 -161.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 42.0 ptt85 -49.28 -31.93 9.92 Favored 'General case' 0 N--CA 1.428 -1.548 0 N-CA-C 117.978 2.584 . . . . 0.0 117.978 -176.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.76 -13.08 61.61 Favored 'General case' 0 N--CA 1.523 3.205 0 CA-C-N 121.6 2.0 . . . . 0.0 113.085 -175.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -127.29 -14.51 5.36 Favored 'General case' 0 C--O 1.194 -1.839 0 N-CA-C 118.297 2.702 . . . . 0.0 118.297 169.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 39.5 t30 54.88 36.86 27.59 Favored 'General case' 0 C--O 1.256 1.433 0 CA-C-N 120.191 1.36 . . . . 0.0 113.207 173.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -157.44 118.38 3.57 Favored 'General case' 0 C--N 1.36 1.051 0 CA-C-O 124.377 2.037 . . . . 0.0 109.197 -173.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 21.8 p -142.1 172.79 12.21 Favored 'General case' 0 C--O 1.251 1.144 0 O-C-N 120.345 -1.472 . . . . 0.0 108.831 177.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -137.85 163.02 32.45 Favored 'General case' 0 N--CA 1.401 -2.888 0 C-N-CA 127.327 2.251 . . . . 0.0 114.349 -177.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -129.84 151.62 50.22 Favored 'General case' 0 C--O 1.183 -2.438 0 C-N-CA 129.514 3.125 . . . . 0.0 110.641 167.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.6 p -60.02 163.35 4.8 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 124.227 1.011 . . . . 0.0 112.868 174.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -92.33 -13.12 30.72 Favored 'General case' 0 C--N 1.362 1.13 1 O-C-N 116.142 -4.099 . . . . 0.0 112.574 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -156.05 174.48 15.3 Favored 'General case' 0 C--O 1.256 1.442 0 CA-C-O 127.996 3.76 . . . . 0.0 111.174 -179.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 74.1 mtm180 -72.43 154.5 40.85 Favored 'General case' 0 N--CA 1.513 2.68 0 O-C-N 117.141 -3.474 . . . . 0.0 108.953 175.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.6 m -137.71 154.32 74.72 Favored Pre-proline 0 C--N 1.364 1.209 0 N-CA-C 106.343 -1.725 . . . . 0.0 106.343 174.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -57.17 148.57 69.04 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 O-C-N 125.123 2.118 . . . . 0.0 116.987 149.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 pp -154.86 168.35 27.21 Favored 'General case' 0 C--O 1.273 2.297 0 CA-C-O 128.381 3.943 . . . . 0.0 108.42 -173.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 tp -140.07 117.36 11.31 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-O 126.65 3.119 . . . . 0.0 112.468 163.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 45.9 t60 -84.96 156.94 20.95 Favored 'General case' 0 C--N 1.379 1.891 0 O-C-N 117.86 -3.025 . . . . 0.0 110.111 164.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 95.6 m -137.33 144.98 42.85 Favored 'General case' 0 CA--C 1.589 2.448 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -144.7 143.22 30.61 Favored 'General case' 1 N--CA 1.539 4.002 0 O-C-N 125.282 1.613 . . . . 0.0 114.43 -165.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.1 tp -72.87 107.64 5.38 Favored 'General case' 0 C--O 1.258 1.517 0 O-C-N 123.917 0.761 . . . . 0.0 111.769 175.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 pt -80.29 -5.26 8.16 Favored 'Isoleucine or valine' 0 C--O 1.255 1.346 0 CA-C-N 119.755 1.161 . . . . 0.0 112.752 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -121.29 69.41 20.76 Favored Pre-proline 0 CA--C 1.557 1.249 0 O-C-N 117.509 -3.244 . . . . 0.0 114.59 173.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . 0.253 59.0 Cg_exo -42.89 -32.3 2.57 Favored 'Trans proline' 0 C--N 1.384 2.403 0 N-CA-C 120.629 3.28 . . . . 0.0 120.629 177.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -85.93 44.57 3.36 Favored Glycine 0 N--CA 1.488 2.122 0 CA-C-N 120.572 1.533 . . . . 0.0 111.935 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -144.32 155.36 43.78 Favored 'General case' 0 CA--C 1.561 1.398 0 O-C-N 120.347 -1.678 . . . . 0.0 111.052 175.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -148.03 -17.24 0.35 Allowed 'General case' 0 C--N 1.367 1.329 0 O-C-N 119.315 -2.116 . . . . 0.0 106.844 -175.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -104.59 137.39 42.49 Favored 'General case' 0 N--CA 1.438 -1.069 0 O-C-N 119.897 -1.752 . . . . 0.0 109.459 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.264 2.8 pp -54.57 -18.09 2.62 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.548 0 O-C-N 119.436 -2.04 . . . . 0.0 115.754 -177.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 85.7 p -61.28 -18.58 59.16 Favored 'General case' 0 C--O 1.213 -0.853 1 O-C-N 115.371 -4.581 . . . . 0.0 116.13 171.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -129.15 -10.05 4.76 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 117.557 -3.214 . . . . 0.0 119.298 170.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 76.6 m -59.5 122.91 15.21 Favored 'General case' 0 C--N 1.378 1.815 0 C-N-CA 126.465 1.906 . . . . 0.0 113.196 172.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -132.8 144.51 50.29 Favored 'General case' 0 N--CA 1.519 2.977 0 C-N-CA 131.11 3.764 . . . . 0.0 107.809 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -123.84 154.0 40.24 Favored 'General case' 1 CA--C 1.631 4.08 0 C-N-CA 129.479 3.112 . . . . 0.0 111.116 -170.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.81 166.26 24.01 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 117.776 -3.078 . . . . 0.0 109.395 165.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . 0.272 8.7 m-20 -83.35 129.25 34.98 Favored 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 129.379 3.072 . . . . 0.0 109.278 -170.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . 0.4 0.6 OUTLIER -125.05 57.75 16.91 Favored Pre-proline 0 CA--C 1.585 2.32 0 C-N-CA 127.319 2.247 . . . . 0.0 115.302 174.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -65.87 158.34 54.41 Favored 'Trans proline' 0 C--O 1.198 -1.494 1 C-N-CA 125.542 4.161 . . . . 0.0 112.687 -174.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 170.74 175.42 39.38 Favored Glycine 0 CA--C 1.575 3.825 0 CA-C-N 122.204 2.274 . . . . 0.0 112.208 -172.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -132.14 109.17 9.78 Favored 'General case' 1 CA--C 1.639 4.397 0 N-CA-C 116.52 2.045 . . . . 0.0 116.52 176.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 68.7 mtm-85 -137.91 170.62 15.73 Favored 'General case' 0 N--CA 1.526 3.326 0 C-N-CA 128.625 2.77 . . . . 0.0 114.859 -176.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -71.59 174.87 6.12 Favored 'General case' 0 C--O 1.194 -1.824 0 O-C-N 120.37 -1.456 . . . . 0.0 112.517 157.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -150.04 155.72 40.4 Favored 'General case' 0 N--CA 1.412 -2.355 0 O-C-N 125.539 1.775 . . . . 0.0 114.631 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.3 t -135.72 128.95 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.606 0 CA-C-N 113.99 -1.459 . . . . 0.0 110.635 -169.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 22.2 m -128.08 177.88 5.49 Favored 'Isoleucine or valine' 0 C--O 1.264 1.827 0 C-N-CA 131.285 3.834 . . . . 0.0 113.382 -172.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -134.01 151.36 51.41 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 126.341 1.857 . . . . 0.0 110.367 158.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 96.8 m -127.5 171.26 11.75 Favored 'General case' 0 CA--C 1.564 1.501 0 N-CA-C 117.238 2.31 . . . . 0.0 117.238 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -144.28 173.32 11.87 Favored 'General case' 0 CA--C 1.498 -1.02 0 C-N-CA 127.48 2.312 . . . . 0.0 114.138 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -56.08 166.29 0.82 Allowed 'General case' 0 CA--C 1.484 -1.584 0 CA-C-O 125.351 2.5 . . . . 0.0 113.05 160.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -54.9 153.81 5.88 Favored 'General case' 0 CA--C 1.562 1.416 0 O-C-N 118.343 -2.723 . . . . 0.0 113.376 169.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.49 146.43 89.67 Favored Pre-proline 0 N--CA 1.517 2.892 0 C-N-CA 127.584 2.354 . . . . 0.0 110.862 148.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -57.83 -33.11 96.51 Favored 'Trans proline' 0 N--CA 1.433 -2.068 0 C-N-CA 122.182 1.921 . . . . 0.0 114.634 -172.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -126.9 -24.5 3.48 Favored 'General case' 0 C--N 1.38 1.905 1 CA-C-O 110.471 -4.585 . . . . 0.0 113.075 -172.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -79.22 127.63 32.29 Favored 'General case' 0 CA--C 1.56 1.35 0 CA-C-N 125.19 3.632 . . . . 0.0 113.822 -174.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 67.7 m 51.17 70.92 1.71 Allowed Pre-proline 0 CA--C 1.572 1.808 0 N-CA-C 116.033 1.864 . . . . 0.0 116.033 172.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -51.99 -22.72 15.07 Favored 'Trans proline' 0 C--O 1.263 1.759 0 N-CA-C 120.262 3.139 . . . . 0.0 120.262 -178.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -51.79 -16.37 0.67 Allowed 'General case' 0 C--O 1.192 -1.946 0 N-CA-C 119.807 3.262 . . . . 0.0 119.807 166.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.422 ' CD1' HG22 ' A' ' 52' ' ' VAL . 23.2 m-85 -122.18 75.82 41.41 Favored Pre-proline 0 N--CA 1.409 -2.523 0 O-C-N 125.202 1.564 . . . . 0.0 110.241 -168.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -56.13 -22.78 41.39 Favored 'Trans proline' 0 C--O 1.253 1.25 1 C-N-CA 125.67 4.247 . . . . 0.0 114.769 177.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.8 m -129.43 161.11 39.56 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.518 0 C-N-CA 126.617 1.967 . . . . 0.0 107.473 167.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 17.8 m -151.46 143.48 16.13 Favored Pre-proline 0 CA--C 1.556 1.198 0 O-C-N 119.883 -1.761 . . . . 0.0 109.113 -176.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.415 ' HB2' ' CE2' ' A' ' 11' ' ' PHE . 66.3 Cg_endo -70.72 135.93 29.29 Favored 'Trans proline' 0 N--CA 1.418 -2.957 1 C-N-CA 126.764 4.976 . . . . 0.0 113.081 171.034 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . 0.264 27.6 m -122.19 -11.18 8.3 Favored 'Isoleucine or valine' 0 C--O 1.293 3.356 0 O-C-N 127.437 2.961 . . . . 0.0 113.733 -170.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -165.92 154.13 10.92 Favored 'General case' 0 C--N 1.399 2.735 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 20.5 tp -127.45 144.56 51.04 Favored 'General case' 0 C--N 1.309 -1.166 0 C-N-CA 127.969 2.508 . . . . 0.0 110.849 166.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -131.25 -27.77 1.97 Allowed 'General case' 0 C--N 1.291 -1.972 0 O-C-N 121.589 -0.694 . . . . 0.0 111.877 -159.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . 0.263 6.8 t -164.99 170.11 15.58 Favored 'General case' 0 C--O 1.26 1.644 1 C-N-CA 132.072 4.149 . . . . 0.0 110.114 179.514 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 73.4 p -143.63 125.54 15.23 Favored 'General case' 0 C--N 1.375 1.71 0 N-CA-C 105.151 -2.166 . . . . 0.0 105.151 170.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.369 1.44 0 N-CA-C 118.322 2.712 . . . . 0.0 118.322 -166.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 203' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 . . . . . 0 C--O 1.261 1.663 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo -58.59 159.66 19.58 Favored 'Trans proline' 0 CA--C 1.578 2.696 0 C-N-CA 124.621 3.547 . . . . 0.0 111.128 174.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.287 70.8 Cg_endo -66.1 -15.5 48.78 Favored 'Trans proline' 0 C--N 1.3 -2.004 0 C-N-CA 125.083 3.855 . . . . 0.0 118.489 -175.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.26 26.8 pt20 -154.14 16.58 0.48 Allowed 'General case' 0 N--CA 1.439 -0.989 0 CA-C-O 115.27 -2.3 . . . . 0.0 109.178 -165.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -153.29 169.32 23.36 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 119.158 3.021 . . . . 0.0 119.158 -176.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.8 p -61.7 155.35 22.91 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 150.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -49.75 -37.18 28.46 Favored 'General case' 0 CA--C 1.562 1.429 0 O-C-N 119.358 -2.089 . . . . 0.0 114.522 148.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.9 -37.22 62.15 Favored 'General case' 0 N--CA 1.499 2.015 0 CA-C-N 121.198 1.817 . . . . 0.0 114.704 -174.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -64.1 -37.06 86.08 Favored 'General case' 0 CA--C 1.577 1.991 0 O-C-N 120.133 -1.604 . . . . 0.0 111.074 171.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -77.37 -28.84 53.04 Favored 'General case' 0 C--N 1.358 0.978 0 C-N-CA 123.063 0.545 . . . . 0.0 111.252 -172.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -53.53 -59.85 4.07 Favored 'General case' 0 N--CA 1.511 2.608 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 158.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.35 -41.93 90.37 Favored 'General case' 0 CA--C 1.559 1.325 0 O-C-N 121.158 -0.963 . . . . 0.0 111.664 -170.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.3 mt -62.16 -33.92 61.06 Favored 'Isoleucine or valine' 0 C--N 1.357 0.902 0 C-N-CA 119.302 -0.959 . . . . 0.0 110.817 176.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -71.52 -39.74 70.57 Favored 'General case' 0 C--O 1.288 3.122 0 CA-C-O 118.436 -0.793 . . . . 0.0 113.042 178.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -130.94 -9.34 3.89 Favored 'General case' 0 C--O 1.184 -2.377 0 N-CA-C 120.811 3.634 . . . . 0.0 120.811 -162.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 47.8 mm -122.73 99.15 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.028 1 O-C-N 114.916 -4.865 . . . . 0.0 110.244 -172.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.2 m -142.5 104.91 4.47 Favored 'General case' 0 CA--C 1.561 1.395 0 N-CA-C 104.817 -2.29 . . . . 0.0 104.817 -171.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.8 tp -64.46 -35.03 79.61 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 123.83 1.776 . . . . 0.0 111.268 -174.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -149.73 72.62 9.69 Favored Pre-proline 0 C--N 1.311 -1.07 0 O-C-N 118.468 -2.645 . . . . 0.0 109.103 -173.096 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -69.34 166.65 26.34 Favored 'Trans proline' 0 C--N 1.371 1.719 0 O-C-N 124.651 1.869 . . . . 0.0 112.065 -176.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -82.65 171.04 12.39 Favored 'Trans proline' 1 CA--C 1.612 4.377 1 C-N-CA 126.874 5.05 . . . . 0.0 109.432 160.79 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.5 mtt-85 -46.8 144.12 2.52 Favored 'General case' 0 C--O 1.252 1.214 0 C-N-CA 128.011 2.525 . . . . 0.0 110.237 176.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.461 ' SG ' ' HA ' ' A' ' 100' ' ' ASP . 93.3 m -57.23 -22.1 38.61 Favored 'General case' 0 N--CA 1.519 3.009 0 CA-C-O 114.766 -2.54 . . . . 0.0 117.537 -176.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 p -48.36 -27.44 2.58 Favored 'General case' 0 N--CA 1.512 2.668 0 C-N-CA 126.836 2.054 . . . . 0.0 113.931 164.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.4 mm -118.7 -39.64 2.05 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.101 0 CA-C-O 114.249 -2.786 . . . . 0.0 105.506 -170.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.72 -28.85 69.35 Favored 'General case' 0 C--O 1.266 1.925 0 CA-C-O 114.114 -2.85 . . . . 0.0 109.822 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 29.1 mmm -63.45 -16.21 59.95 Favored 'General case' 0 CA--C 1.487 -1.457 0 CA-C-N 125.049 3.568 . . . . 0.0 111.994 173.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -68.41 -20.16 64.65 Favored 'General case' 0 C--O 1.192 -1.934 0 C-N-CA 125.211 1.404 . . . . 0.0 113.732 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -24.39 66.52 Favored 'General case' 0 N--CA 1.425 -1.72 0 C-N-CA 126.52 1.928 . . . . 0.0 113.015 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 16.3 pt -126.75 -39.04 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.187 0 O-C-N 125.466 1.729 . . . . 0.0 113.978 172.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.354 42.7 m-20 -72.01 -13.01 61.5 Favored 'General case' 0 N--CA 1.42 -1.936 0 N-CA-C 118.796 2.888 . . . . 0.0 118.796 -174.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -110.96 30.44 6.86 Favored 'General case' 0 CA--C 1.624 3.8 1 O-C-N 116.246 -4.034 . . . . 0.0 107.2 173.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -152.91 -54.45 0.12 Allowed 'General case' 0 N--CA 1.498 1.967 0 C-N-CA 128.765 2.826 . . . . 0.0 105.709 -162.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -79.22 162.42 25.73 Favored 'General case' 0 C--O 1.253 1.282 0 CA-C-N 121.304 1.865 . . . . 0.0 112.323 166.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -68.24 -11.73 59.83 Favored 'General case' 0 CA--C 1.575 1.941 0 C-N-CA 126.424 1.89 . . . . 0.0 113.005 -167.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -155.64 140.26 16.96 Favored 'General case' 0 N--CA 1.499 1.996 0 CA-C-O 122.026 0.917 . . . . 0.0 110.226 -169.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.8 m -49.19 103.7 0.05 Allowed 'General case' 0 CA--C 1.567 1.622 0 C-N-CA 129.465 3.106 . . . . 0.0 111.013 167.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.569 ' HE2' ' O ' ' A' ' 40' ' ' GLN . 56.7 tttt -66.24 126.64 29.35 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 116.881 -3.637 . . . . 0.0 110.011 166.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -60.64 -43.37 97.63 Favored 'General case' 0 N--CA 1.39 -3.444 0 C-N-CA 128.928 2.891 . . . . 0.0 118.684 -170.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.569 ' O ' ' HE2' ' A' ' 38' ' ' LYS . 34.0 mm-40 -135.78 148.56 48.8 Favored 'General case' 0 C--O 1.196 -1.745 0 C-N-CA 125.05 1.34 . . . . 0.0 108.091 176.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -150.38 163.28 38.75 Favored 'General case' 0 CA--C 1.587 2.377 0 O-C-N 116.666 -3.771 . . . . 0.0 108.348 172.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.7 m -139.61 135.2 33.08 Favored 'General case' 0 N--CA 1.508 2.449 0 C-N-CA 125.506 1.522 . . . . 0.0 114.711 175.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -122.06 117.95 27.57 Favored 'General case' 0 CA--C 1.579 2.068 0 O-C-N 124.897 1.373 . . . . 0.0 108.101 -173.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -77.72 134.96 37.99 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 127.583 2.353 . . . . 0.0 115.366 172.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -93.82 65.73 3.61 Favored 'General case' 0 CA--C 1.589 2.459 0 CA-C-O 124.801 2.238 . . . . 0.0 107.147 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.298 6.3 t -135.1 175.65 9.39 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 118.106 -2.871 . . . . 0.0 108.183 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.0 p -97.47 152.4 19.01 Favored 'General case' 0 C--O 1.195 -1.765 0 O-C-N 120.803 -1.185 . . . . 0.0 109.64 173.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -49.74 -49.65 47.26 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 118.519 -2.613 . . . . 0.0 112.959 -175.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.29 -28.86 70.01 Favored 'General case' 0 C--N 1.305 -1.355 1 O-C-N 130.632 4.957 . . . . 0.0 111.575 -172.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -71.97 -26.98 62.48 Favored 'General case' 0 C--O 1.204 -1.326 0 CA-C-O 114.768 -2.539 . . . . 0.0 111.189 174.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.0 t -80.15 -36.18 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 CA-C-N 120.372 1.442 . . . . 0.0 110.737 171.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.1 t -53.78 -32.62 21.9 Favored 'Isoleucine or valine' 0 C--O 1.255 1.384 0 CA-C-O 115.241 -2.314 . . . . 0.0 111.85 175.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -71.12 -18.67 62.51 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 125.659 3.845 . . . . 0.0 114.834 176.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.4 t -74.32 -27.85 22.11 Favored 'Isoleucine or valine' 0 C--O 1.273 2.32 0 C-N-CA 126.887 2.075 . . . . 0.0 113.306 166.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 21.3 m -56.4 -45.08 80.81 Favored 'General case' 0 C--N 1.402 2.853 0 CA-C-O 122.23 1.014 . . . . 0.0 110.492 159.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.49 4.93 0.12 Allowed Glycine 1 N--CA 1.519 4.183 0 N-CA-C 121.248 3.259 . . . . 0.0 121.248 166.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -95.57 174.01 7.21 Favored 'General case' 0 N--CA 1.534 3.752 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 -175.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -46.97 147.77 1.27 Allowed 'General case' 0 CA--C 1.622 3.715 0 O-C-N 118.809 -2.432 . . . . 0.0 111.807 166.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.4 m -90.8 139.67 30.52 Favored 'General case' 0 N--CA 1.507 2.381 0 CA-C-N 122.585 2.448 . . . . 0.0 110.248 171.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.6 pt -137.96 -175.25 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 CA-C-O 126.143 2.878 . . . . 0.0 112.07 -177.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -109.97 148.37 31.76 Favored 'General case' 0 CA--C 1.49 -1.346 0 O-C-N 117.578 -3.201 . . . . 0.0 111.011 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 72.9 m -137.54 150.36 68.12 Favored Pre-proline 0 N--CA 1.48 1.062 0 O-C-N 125.011 1.444 . . . . 0.0 114.105 -173.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . 0.296 96.7 Cg_endo -72.8 -1.53 10.55 Favored 'Trans proline' 0 C--N 1.326 -0.624 1 C-N-CA 125.369 4.046 . . . . 0.0 112.485 -163.498 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -142.82 35.2 1.4 Allowed 'General case' 0 CA--C 1.581 2.151 0 CA-C-N 121.046 1.748 . . . . 0.0 114.58 -178.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -141.21 1.88 1.65 Allowed 'General case' 0 N--CA 1.499 2.018 0 C-N-CA 127.261 2.224 . . . . 0.0 111.046 -151.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.1 ptt85 -60.36 -19.54 56.01 Favored 'General case' 0 N--CA 1.494 1.734 1 O-C-N 115.414 -4.554 . . . . 0.0 114.432 -178.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.7 p -68.32 -29.39 68.13 Favored 'General case' 0 CA--C 1.493 -1.219 0 CA-C-O 114.371 -2.728 . . . . 0.0 112.245 175.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -118.25 -9.29 10.47 Favored 'General case' 0 C--O 1.268 2.034 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 162.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.331 5.1 t30 47.19 47.42 16.44 Favored 'General case' 0 C--N 1.296 -1.728 0 C-N-CA 126.646 1.978 . . . . 0.0 112.035 171.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -159.79 119.95 2.99 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 129.37 3.068 . . . . 0.0 110.744 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 30.8 p -146.41 175.3 10.65 Favored 'General case' 0 C--N 1.286 -2.158 0 C-N-CA 127.521 2.328 . . . . 0.0 110.976 171.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -143.47 153.9 43.11 Favored 'General case' 0 C--N 1.365 1.269 0 O-C-N 120.401 -1.437 . . . . 0.0 110.988 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -114.47 159.97 19.73 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 126.495 1.918 . . . . 0.0 113.469 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 76.3 p -78.14 140.54 39.02 Favored 'General case' 0 N--CA 1.533 3.707 0 CA-C-N 114.378 -1.283 . . . . 0.0 111.518 -174.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -69.93 -29.47 66.63 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 -175.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -137.16 -175.79 4.16 Favored 'General case' 0 C--O 1.283 2.816 0 C-N-CA 129.197 2.999 . . . . 0.0 104.977 -169.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 -91.84 162.51 14.4 Favored 'General case' 0 C--O 1.248 1.02 0 C-N-CA 127.771 2.428 . . . . 0.0 111.399 168.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.5 m -148.72 145.76 20.62 Favored Pre-proline 0 C--O 1.272 2.249 0 C-N-CA 126.945 2.098 . . . . 0.0 106.78 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.76 156.2 67.05 Favored 'Trans proline' 0 CA--C 1.586 3.079 0 O-C-N 116.332 -2.51 . . . . 0.0 113.821 169.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . 0.334 2.1 pp -152.53 -175.34 5.25 Favored 'General case' 0 C--O 1.274 2.36 0 O-C-N 125.768 1.918 . . . . 0.0 108.057 -171.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 102' ' ' PRO . 23.1 tp -151.9 108.43 3.46 Favored 'General case' 0 C--O 1.27 2.179 1 C-N-CA 134.343 5.057 . . . . 0.0 114.924 178.865 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.7 t60 -82.2 151.59 26.81 Favored 'General case' 0 C--N 1.362 1.141 0 C-N-CA 124.348 1.059 . . . . 0.0 111.021 167.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 90.8 m -138.73 144.17 39.39 Favored 'General case' 0 CA--C 1.486 -1.519 0 CA-C-O 117.541 -1.219 . . . . 0.0 112.864 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -140.93 121.35 14.04 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-O 115.4 -2.238 . . . . 0.0 111.634 -157.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 52.3 tp -65.35 92.74 0.13 Allowed 'General case' 0 CA--C 1.575 1.938 0 C-N-CA 127.448 2.299 . . . . 0.0 110.234 173.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 25.5 pt -66.34 19.11 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 N-CA-C 117.546 2.425 . . . . 0.0 117.546 172.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -146.32 103.25 4.04 Favored Pre-proline 0 C--N 1.394 2.518 0 O-C-N 119.874 -1.766 . . . . 0.0 112.234 172.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -71.01 -21.08 28.17 Favored 'Trans proline' 0 N--CA 1.445 -1.337 0 C-N-CA 121.991 1.794 . . . . 0.0 116.36 -175.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -85.45 -2.4 87.37 Favored Glycine 0 N--CA 1.48 1.62 0 CA-C-N 121.336 1.88 . . . . 0.0 116.585 171.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.8 131.36 35.88 Favored 'General case' 0 C--N 1.395 2.585 0 C-N-CA 115.877 -2.329 . . . . 0.0 113.036 173.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -121.5 -20.62 6.52 Favored 'General case' 0 C--N 1.361 1.093 0 CA-C-N 123.402 2.819 . . . . 0.0 115.888 172.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . 0.255 50.8 t30 -129.82 154.39 47.3 Favored 'General case' 0 N--CA 1.51 2.538 0 C-N-CA 117.098 -1.841 . . . . 0.0 111.754 -176.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 pp -65.5 -8.66 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 C-N-CA 127.029 2.132 . . . . 0.0 111.579 -159.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.8 m -73.55 -19.44 60.9 Favored 'General case' 1 N--CA 1.542 4.147 0 O-C-N 120.339 -1.476 . . . . 0.0 110.072 172.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -139.34 6.99 2.36 Favored 'General case' 0 C--O 1.263 1.771 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -171.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . 0.363 64.7 m -69.93 143.55 52.67 Favored 'General case' 0 C--N 1.365 1.265 0 C-N-CA 129.198 2.999 . . . . 0.0 113.032 173.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -155.64 139.37 16.11 Favored 'General case' 0 N--CA 1.499 1.993 1 C-N-CA 132.018 4.127 . . . . 0.0 113.443 -176.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -134.13 168.75 18.27 Favored 'General case' 0 C--O 1.28 2.685 0 O-C-N 118.868 -2.395 . . . . 0.0 113.279 -165.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -151.75 162.44 41.01 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-O 124.328 2.013 . . . . 0.0 110.603 177.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.461 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 1.2 m-20 -99.17 136.74 38.69 Favored 'General case' 0 C--O 1.246 0.919 0 C-N-CA 129.555 3.142 . . . . 0.0 107.725 -167.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -144.19 75.96 15.17 Favored Pre-proline 0 C--O 1.272 2.287 0 C-N-CA 128.508 2.723 . . . . 0.0 110.728 165.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 81' ' ' LEU . 72.3 Cg_exo -38.2 164.07 0.02 OUTLIER 'Trans proline' 0 N--CA 1.505 2.192 0 C-N-CA 123.234 2.623 . . . . 0.0 117.271 163.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -173.75 -163.83 27.91 Favored Glycine 0 C--O 1.267 2.201 0 C-N-CA 116.738 -2.649 . . . . 0.0 118.645 162.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.6 ttt-85 -153.08 120.69 5.98 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 118.863 -2.551 . . . . 0.0 108.987 168.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -151.7 164.75 36.28 Favored 'General case' 0 N--CA 1.495 1.789 1 C-N-CA 131.804 4.042 . . . . 0.0 111.9 -165.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -76.78 173.27 11.87 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 121.42 -0.8 . . . . 0.0 110.229 158.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -158.59 161.85 37.28 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 121.526 1.966 . . . . 0.0 113.899 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.8 t -138.51 118.56 15.13 Favored 'Isoleucine or valine' 0 C--N 1.392 2.422 0 CA-C-O 123.39 1.567 . . . . 0.0 109.904 -163.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.6 m -127.52 164.43 28.63 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.283 0 C-N-CA 128.438 2.695 . . . . 0.0 108.467 -157.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -124.16 151.55 43.88 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-O 124.036 1.874 . . . . 0.0 108.247 169.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 55.5 m -127.55 175.56 8.16 Favored 'General case' 0 C--O 1.275 2.435 0 C-N-CA 127.305 2.242 . . . . 0.0 112.097 178.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -155.17 154.58 32.5 Favored 'General case' 0 C--N 1.29 -1.992 0 CA-C-N 111.276 -2.693 . . . . 0.0 114.923 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -51.99 141.53 17.76 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 127.461 2.976 . . . . 0.0 115.404 165.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -44.62 153.64 0.16 Allowed 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 131.254 3.822 . . . . 0.0 114.41 -178.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -73.84 138.11 76.6 Favored Pre-proline 0 CA--C 1.561 1.393 0 O-C-N 117.175 -3.453 . . . . 0.0 105.243 171.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -66.67 0.2 3.83 Favored 'Trans proline' 0 CA--C 1.557 1.642 0 CA-C-O 114.282 -2.466 . . . . 0.0 114.15 175.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 31.2 mtm105 -138.17 -49.39 0.56 Allowed 'General case' 0 C--O 1.273 2.302 0 CA-C-N 123.683 2.947 . . . . 0.0 113.081 164.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -58.08 117.35 4.27 Favored 'General case' 0 N--CA 1.497 1.883 0 CA-C-N 120.168 1.349 . . . . 0.0 114.095 -175.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.3 m 65.44 70.81 0.55 Allowed Pre-proline 0 C--O 1.252 1.226 0 CA-C-O 121.972 0.891 . . . . 0.0 110.612 159.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -66.97 -28.28 42.09 Favored 'Trans proline' 0 N--CA 1.51 2.472 1 C-N-CA 126.867 5.045 . . . . 0.0 115.713 -170.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.402 ' HD2' ' CE1' ' A' ' 122' ' ' TYR . 37.0 ttm105 -41.88 -35.95 0.95 Allowed 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 -177.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.402 ' CE1' ' HD2' ' A' ' 121' ' ' ARG 0.255 6.4 m-85 -106.52 130.06 23.51 Favored Pre-proline 0 CA--C 1.578 2.021 0 O-C-N 119.899 -1.751 . . . . 0.0 111.001 -173.103 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -78.69 -17.82 12.27 Favored 'Trans proline' 0 CA--C 1.565 2.053 0 CA-C-O 124.373 1.739 . . . . 0.0 112.139 174.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 4.0 m -145.05 141.7 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 C-N-CA 130.421 3.489 . . . . 0.0 112.173 -177.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 26.8 m -141.96 144.37 32.0 Favored Pre-proline 0 N--CA 1.482 1.175 0 O-C-N 117.455 -3.278 . . . . 0.0 106.675 -164.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -78.36 146.84 22.41 Favored 'Trans proline' 0 CA--C 1.555 1.546 0 O-C-N 126.376 2.777 . . . . 0.0 106.978 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 27.3 m -129.39 -12.01 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.609 3.222 0 CA-C-O 116.228 -1.844 . . . . 0.0 113.138 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -156.06 154.91 31.74 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 116.67 -1.634 . . . . 0.0 114.675 -171.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 25.7 tp -138.55 106.39 5.66 Favored 'General case' 0 N--CA 1.521 3.086 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 173.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -79.44 -37.53 36.8 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 128.392 2.677 . . . . 0.0 111.256 -174.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 8.0 t -173.18 179.73 2.15 Favored 'General case' 0 N--CA 1.523 3.22 0 O-C-N 118.464 -2.647 . . . . 0.0 108.843 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 45.4 p -140.48 149.33 42.39 Favored 'General case' 0 N--CA 1.517 2.894 0 N-CA-C 103.688 -2.708 . . . . 0.0 103.688 177.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.278 0.1 OUTLIER . . . . . 0 N--CA 1.512 2.647 0 O-C-N 119.537 -1.977 . . . . 0.0 112.192 -168.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 203' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.6 ttt180 . . . . . 0 N--CA 1.415 -2.181 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -53.55 149.8 29.87 Favored 'Trans proline' 0 C--O 1.256 1.395 0 C-N-CA 123.56 2.84 . . . . 0.0 114.448 169.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -45.74 -32.56 9.03 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 CA-C-O 115.256 -2.06 . . . . 0.0 116.021 -175.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -148.77 21.65 1.01 Allowed 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 123.949 3.068 . . . . 0.0 115.813 -175.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -141.49 -177.14 5.01 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 128.191 2.596 . . . . 0.0 111.281 -171.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 49.2 p -92.49 164.57 13.41 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 127.786 2.434 . . . . 0.0 112.927 146.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -54.38 -50.52 67.32 Favored 'General case' 0 CA--C 1.463 -2.399 0 C-N-CA 126.047 1.739 . . . . 0.0 110.432 178.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . 0.253 . . -71.13 -33.47 70.12 Favored 'General case' 0 CA--C 1.487 -1.459 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -173.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -64.11 -55.61 20.73 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-O 124.536 2.112 . . . . 0.0 111.798 169.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -51.55 -42.88 62.15 Favored 'General case' 0 N--CA 1.405 -2.698 0 O-C-N 120.632 -1.293 . . . . 0.0 113.775 175.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.461 ' CE2' ' HB2' ' A' ' 126' ' ' PRO . 43.2 t80 -51.6 -57.0 10.38 Favored 'General case' 0 C--O 1.181 -2.521 0 O-C-N 118.832 -2.418 . . . . 0.0 108.718 168.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.82 -52.39 57.19 Favored 'General case' 0 C--O 1.182 -2.455 0 N-CA-C 119.885 3.291 . . . . 0.0 119.885 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.0 mt -58.33 -29.85 38.92 Favored 'Isoleucine or valine' 0 C--O 1.297 3.593 0 O-C-N 117.911 -2.993 . . . . 0.0 113.829 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -80.39 -19.29 46.62 Favored 'General case' 0 N--CA 1.511 2.579 0 C-N-CA 129.235 3.014 . . . . 0.0 114.867 173.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -153.75 -11.56 0.14 Allowed 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 118.471 2.767 . . . . 0.0 118.471 -158.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.6 mm -136.3 99.95 2.18 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.114 0 CA-C-O 122.79 1.281 . . . . 0.0 110.89 -173.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 m -151.52 102.34 2.88 Favored 'General case' 0 CA--C 1.566 1.577 0 C-N-CA 127.641 2.377 . . . . 0.0 108.0 -160.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.0 tp -54.14 -41.02 67.93 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 127.587 2.355 . . . . 0.0 114.764 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -147.85 70.27 11.22 Favored Pre-proline 0 C--N 1.387 2.226 0 O-C-N 125.736 1.898 . . . . 0.0 108.969 -171.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -69.98 152.24 68.12 Favored 'Trans proline' 0 C--O 1.257 1.457 0 C-N-CA 123.919 3.079 . . . . 0.0 114.108 174.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -68.09 -165.65 0.12 Allowed 'Trans proline' 0 CA--C 1.583 2.972 1 C-N-CA 125.937 4.425 . . . . 0.0 114.772 167.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.1 mtt-85 -53.6 153.24 4.46 Favored 'General case' 0 C--O 1.264 1.816 0 CA-C-O 123.77 1.748 . . . . 0.0 107.178 164.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 79.6 m -50.61 -39.39 50.06 Favored 'General case' 0 CA--C 1.58 2.098 0 O-C-N 118.804 -2.435 . . . . 0.0 113.206 163.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.5 p -45.42 -28.89 0.96 Allowed 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 119.859 3.281 . . . . 0.0 119.859 166.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.3 mm -100.67 -46.09 11.65 Favored 'Isoleucine or valine' 0 C--O 1.273 2.323 0 O-C-N 125.05 1.468 . . . . 0.0 108.351 170.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.77 -42.47 97.54 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 119.649 -1.907 . . . . 0.0 109.413 -167.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 81.7 mmm -53.75 -36.08 61.95 Favored 'General case' 0 CA--C 1.588 2.418 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 170.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -51.6 -32.83 30.29 Favored 'General case' 0 N--CA 1.522 3.153 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 -174.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.6 -28.23 0.57 Allowed 'General case' 0 CA--C 1.593 2.622 0 C-N-CA 130.172 3.389 . . . . 0.0 116.116 178.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.6 pt -132.87 -36.32 0.5 Allowed 'Isoleucine or valine' 0 C--O 1.198 -1.649 1 CA-C-O 111.21 -4.233 . . . . 0.0 105.337 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.416 ' CG ' ' H ' ' A' ' 38' ' ' LYS . 16.1 m-20 -88.36 -10.91 47.81 Favored 'General case' 0 N--CA 1.531 3.604 1 CA-C-N 127.173 4.533 . . . . 0.0 111.674 -163.178 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -116.72 17.85 15.08 Favored 'General case' 0 C--O 1.184 -2.384 0 C-N-CA 127.919 2.488 . . . . 0.0 106.048 177.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -141.02 -3.9 1.21 Allowed 'General case' 0 C--N 1.386 2.189 0 O-C-N 116.514 -3.866 . . . . 0.0 111.859 176.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -112.9 150.93 31.09 Favored 'General case' 0 C--N 1.305 -1.364 1 O-C-N 116.269 -4.019 . . . . 0.0 107.178 166.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -44.41 -32.33 1.32 Allowed 'General case' 0 CA--C 1.561 1.402 0 N-CA-C 121.101 3.741 . . . . 0.0 121.101 -177.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -143.94 151.16 39.41 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 127.443 2.297 . . . . 0.0 108.266 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 85.7 m -64.74 134.96 55.28 Favored 'General case' 0 CA--C 1.571 1.754 0 C-N-CA 128.475 2.71 . . . . 0.0 111.633 -176.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.416 ' H ' ' CG ' ' A' ' 31' ' ' ASN . 18.7 tttt -68.47 129.09 38.9 Favored 'General case' 0 N--CA 1.521 3.109 0 CA-C-O 124.282 1.992 . . . . 0.0 109.842 165.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -55.27 -35.72 65.33 Favored 'General case' 0 N--CA 1.439 -0.995 2 O-C-N 114.746 -4.972 . . . . 0.0 116.353 176.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -151.69 149.1 28.72 Favored 'General case' 0 C--N 1.427 3.969 0 O-C-N 119.83 -1.794 . . . . 0.0 107.871 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -151.13 154.72 37.47 Favored 'General case' 0 CA--C 1.589 2.467 0 C-N-CA 126.454 1.901 . . . . 0.0 115.112 171.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 79.9 m -129.24 132.73 47.28 Favored 'General case' 0 C--O 1.262 1.727 0 CA-C-O 114.615 -2.612 . . . . 0.0 112.842 -172.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -124.49 116.52 22.64 Favored 'General case' 0 C--O 1.2 -1.537 0 C-N-CA 130.506 3.523 . . . . 0.0 109.773 -176.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.0 mt -87.28 124.54 33.45 Favored 'General case' 0 C--N 1.378 1.813 0 O-C-N 119.781 -1.824 . . . . 0.0 109.241 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -82.04 77.3 8.87 Favored 'General case' 0 N--CA 1.472 0.663 1 O-C-N 129.257 4.098 . . . . 0.0 115.394 175.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.5 t -144.33 173.33 11.87 Favored 'General case' 0 C--N 1.373 1.592 0 N-CA-C 104.839 -2.282 . . . . 0.0 104.839 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.5 p -75.16 157.34 34.78 Favored 'General case' 0 N--CA 1.523 3.209 0 CA-C-N 114.305 -1.316 . . . . 0.0 110.976 164.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -68.01 -37.5 81.49 Favored 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 172.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.69 -19.56 65.02 Favored 'General case' 0 N--CA 1.535 3.793 0 C-N-CA 126.143 1.777 . . . . 0.0 113.332 178.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -91.53 -22.77 20.19 Favored 'General case' 0 N--CA 1.408 -2.549 0 N-CA-C 116.162 1.912 . . . . 0.0 116.162 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 t -73.62 -27.7 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-N 114.532 -1.213 . . . . 0.0 111.036 163.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.3 t -60.17 -44.72 95.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 CA-C-O 124.964 2.316 . . . . 0.0 106.014 168.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -59.86 -22.62 62.56 Favored 'General case' 0 N--CA 1.508 2.441 1 O-C-N 114.573 -5.079 . . . . 0.0 114.703 172.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.0 t -74.56 -39.4 47.31 Favored 'Isoleucine or valine' 0 CA--C 1.616 3.514 0 CA-C-N 119.469 1.031 . . . . 0.0 108.479 168.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 88.6 m -63.76 -18.84 64.47 Favored 'General case' 0 CA--C 1.564 1.489 0 C-N-CA 128.048 2.539 . . . . 0.0 113.113 172.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -83.44 -9.05 84.13 Favored Glycine 2 C--O 1.166 -4.121 0 C-N-CA 130.244 3.783 . . . . 0.0 117.346 170.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -89.11 175.01 7.56 Favored 'General case' 0 CA--C 1.555 1.172 0 O-C-N 117.449 -3.383 . . . . 0.0 110.604 -176.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -54.74 138.01 43.12 Favored 'General case' 0 N--CA 1.522 3.149 0 O-C-N 118.773 -2.454 . . . . 0.0 109.876 -172.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.7 m -62.27 124.09 19.96 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 130.124 3.37 . . . . 0.0 111.952 173.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.5 pt -120.79 177.51 3.19 Favored 'Isoleucine or valine' 0 C--O 1.265 1.902 0 C-N-CA 124.09 0.956 . . . . 0.0 111.396 169.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -117.57 146.86 43.32 Favored 'General case' 0 N--CA 1.515 2.786 0 C-N-CA 127.304 2.242 . . . . 0.0 110.764 168.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 75.9 m -148.05 154.94 43.65 Favored Pre-proline 0 C--N 1.304 -1.371 1 C-N-CA 134.457 5.103 . . . . 0.0 118.529 -159.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -89.6 2.42 5.53 Favored 'Trans proline' 0 C--N 1.376 2.017 0 N-CA-C 115.87 1.45 . . . . 0.0 115.87 -164.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -128.67 37.45 4.1 Favored 'General case' 0 CA--C 1.601 2.936 0 C-N-CA 125.156 1.382 . . . . 0.0 111.833 -174.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -146.4 10.18 1.1 Allowed 'General case' 0 CA--C 1.589 2.448 0 O-C-N 119.238 -2.164 . . . . 0.0 112.226 -145.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . 0.255 28.5 ptt-85 -57.04 -30.79 64.53 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.716 1.607 . . . . 0.0 114.282 -163.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.2 p -62.21 -20.94 64.71 Favored 'General case' 0 N--CA 1.5 2.052 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 -178.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -141.83 -7.78 0.95 Allowed 'General case' 0 C--O 1.265 1.918 0 CA-C-O 116.942 -1.504 . . . . 0.0 114.623 174.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 65.7 t30 48.89 40.17 15.98 Favored 'General case' 0 C--O 1.209 -1.066 0 N-CA-C 118.481 2.771 . . . . 0.0 118.481 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -141.9 147.99 37.98 Favored 'General case' 0 C--O 1.255 1.371 0 C-N-CA 125.248 1.419 . . . . 0.0 114.01 169.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.2 p -162.91 166.66 23.68 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 126.125 1.77 . . . . 0.0 114.851 -177.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -136.69 154.63 50.56 Favored 'General case' 0 C--N 1.308 -1.201 0 O-C-N 121.236 -0.915 . . . . 0.0 110.966 178.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -116.72 157.37 25.58 Favored 'General case' 0 CA--C 1.573 1.859 0 C-N-CA 123.87 0.868 . . . . 0.0 113.279 176.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.5 p -70.78 145.17 50.57 Favored 'General case' 0 CA--C 1.481 -1.679 0 CA-C-O 127.168 3.366 . . . . 0.0 110.875 -170.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 76.4 mtt-85 -70.22 -16.48 63.06 Favored 'General case' 0 C--N 1.391 2.382 0 CA-C-N 110.74 -2.936 . . . . 0.0 115.841 -175.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -164.82 173.27 11.92 Favored 'General case' 0 CA--C 1.588 2.406 0 C-N-CA 130.705 3.602 . . . . 0.0 112.081 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -74.97 151.73 38.82 Favored 'General case' 0 C--N 1.37 1.487 0 O-C-N 119.189 -2.194 . . . . 0.0 112.444 175.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.4 m -131.24 148.9 72.02 Favored Pre-proline 0 C--O 1.206 -1.205 0 CA-C-O 115.505 -2.188 . . . . 0.0 109.563 175.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -51.47 154.03 9.41 Favored 'Trans proline' 0 CA--C 1.596 3.597 0 O-C-N 124.94 2.021 . . . . 0.0 114.958 155.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 pp -168.93 165.33 11.54 Favored 'General case' 0 C--O 1.192 -1.942 0 CA-C-O 125.116 2.389 . . . . 0.0 106.557 -173.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.7 tp -127.59 141.59 51.59 Favored 'General case' 0 N--CA 1.427 -1.623 0 O-C-N 117.933 -2.979 . . . . 0.0 109.812 172.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . 0.257 35.3 t60 -119.04 152.18 36.89 Favored 'General case' 0 C--O 1.204 -1.327 0 N-CA-C 103.347 -2.835 . . . . 0.0 103.347 174.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 99.3 m -141.56 131.41 24.37 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -171.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . 0.362 58.8 t0 -127.59 143.3 51.18 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 116.429 -1.748 . . . . 0.0 113.39 -160.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.6 tp -84.37 77.76 9.93 Favored 'General case' 0 CA--C 1.479 -1.761 0 N-CA-C 118.311 2.708 . . . . 0.0 118.311 172.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.4 pp -64.96 -0.26 0.71 Allowed 'Isoleucine or valine' 1 N--CA 1.547 4.413 0 CA-C-N 110.853 -2.885 . . . . 0.0 117.764 -177.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -126.12 82.91 64.43 Favored Pre-proline 0 C--O 1.268 2.034 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 162.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_exo -51.19 -16.47 2.94 Favored 'Trans proline' 0 C--N 1.37 1.692 1 C-N-CA 126.503 4.802 . . . . 0.0 118.247 172.306 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -71.32 -0.36 37.0 Favored Glycine 0 N--CA 1.482 1.761 0 CA-C-O 115.353 -2.915 . . . . 0.0 119.878 175.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -129.01 159.72 35.02 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-N 122.374 3.087 . . . . 0.0 112.093 -173.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -140.82 -9.27 1.04 Allowed 'General case' 0 C--O 1.256 1.437 0 CA-C-N 112.661 -2.063 . . . . 0.0 114.328 160.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -94.86 137.44 33.92 Favored 'General case' 0 CA--C 1.598 2.824 1 O-C-N 113.448 -5.782 . . . . 0.0 111.223 177.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.1 pt -51.66 -22.85 2.72 Favored 'Isoleucine or valine' 0 C--N 1.367 1.364 0 CA-C-O 115.905 -1.998 . . . . 0.0 116.059 -169.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.0 m -54.34 -22.97 13.56 Favored 'General case' 1 C--O 1.305 4.021 0 N-CA-C 118.758 2.873 . . . . 0.0 118.758 168.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -145.75 -5.67 0.62 Allowed 'General case' 0 C--N 1.254 -3.557 0 CA-C-N 114.285 -1.325 . . . . 0.0 112.822 -170.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.2 m -61.21 135.17 57.65 Favored 'General case' 0 CA--C 1.597 2.752 0 O-C-N 120.058 -1.651 . . . . 0.0 111.291 164.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 55.2 mtt-85 -153.51 152.62 31.16 Favored 'General case' 0 C--O 1.185 -2.329 0 CA-C-O 126.779 3.18 . . . . 0.0 111.289 174.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -135.55 166.96 22.0 Favored 'General case' 0 CA--C 1.574 1.892 0 CA-C-O 128.174 3.845 . . . . 0.0 115.578 -150.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -152.66 163.65 39.23 Favored 'General case' 0 C--O 1.28 2.678 0 CA-C-N 112.487 -2.142 . . . . 0.0 113.162 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -100.87 147.86 25.62 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 117.459 -3.276 . . . . 0.0 113.294 -166.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . 0.255 0.9 OUTLIER -147.21 64.48 8.85 Favored Pre-proline 0 N--CA 1.51 2.545 0 O-C-N 118.08 -2.888 . . . . 0.0 112.997 176.632 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . 0.333 44.9 Cg_endo -62.35 174.73 2.48 Favored 'Trans proline' 0 CA--C 1.489 -1.755 0 C-N-CA 124.855 3.703 . . . . 0.0 120.476 170.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 160.98 -178.16 37.06 Favored Glycine 1 CA--C 1.59 4.779 0 CA-C-O 118.315 -1.269 . . . . 0.0 113.172 -167.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 66.2 ttt-85 -149.74 119.97 7.29 Favored 'General case' 0 N--CA 1.415 -2.201 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 178.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 84.1 mtm-85 -159.34 172.59 17.7 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-O 116.815 -1.564 . . . . 0.0 111.21 -170.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -67.6 179.56 1.32 Allowed 'General case' 0 CA--C 1.59 2.519 0 N-CA-C 105.288 -2.115 . . . . 0.0 105.288 175.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -152.15 163.48 39.28 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-O 125.718 2.675 . . . . 0.0 113.606 171.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.0 t -128.15 139.36 52.12 Favored 'Isoleucine or valine' 0 C--O 1.278 2.596 0 CA-C-N 113.305 -1.77 . . . . 0.0 113.682 -177.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 17.4 m -142.7 168.21 13.92 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.929 0 C-N-CA 126.912 2.085 . . . . 0.0 116.097 -178.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -133.65 156.02 48.64 Favored 'General case' 0 CA--C 1.599 2.863 0 N-CA-C 104.228 -2.508 . . . . 0.0 104.228 165.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.0 m -141.25 179.37 6.8 Favored 'General case' 0 C--O 1.282 2.768 0 C-N-CA 130.424 3.49 . . . . 0.0 115.316 -164.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -165.41 165.54 19.17 Favored 'General case' 0 N--CA 1.431 -1.395 0 CA-C-N 113.243 -1.799 . . . . 0.0 111.662 -171.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -55.79 145.92 23.01 Favored 'General case' 0 N--CA 1.519 2.978 0 N-CA-C 116.507 2.039 . . . . 0.0 116.507 168.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . 0.317 3.7 ptt180 -52.68 152.43 3.75 Favored 'General case' 0 C--O 1.284 2.873 0 C-N-CA 126.123 1.769 . . . . 0.0 112.614 -174.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -73.63 159.68 83.96 Favored Pre-proline 0 C--O 1.209 -1.071 0 CA-C-N 121.914 2.143 . . . . 0.0 114.263 172.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -72.57 -5.15 16.62 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 N-CA-C 117.631 2.127 . . . . 0.0 117.631 -171.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -143.66 -44.12 0.28 Allowed 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 118.97 2.952 . . . . 0.0 118.97 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -61.57 141.66 57.61 Favored 'General case' 0 N--CA 1.5 2.059 0 C-N-CA 125.95 1.7 . . . . 0.0 109.773 174.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 70.5 m 27.63 73.09 0.4 Allowed Pre-proline 0 C--O 1.255 1.379 0 C-N-CA 130.678 3.591 . . . . 0.0 116.939 170.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -75.21 11.19 1.56 Allowed 'Trans proline' 0 CA--C 1.51 -0.688 0 C-N-CA 122.709 2.273 . . . . 0.0 113.971 -174.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.416 ' HE ' ' HB2' ' A' ' 121' ' ' ARG . 24.6 ttm180 -62.08 -11.07 12.03 Favored 'General case' 0 N--CA 1.519 3.009 1 C-N-CA 135.796 5.638 . . . . 0.0 113.915 173.316 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.403 ' CE1' ' HG2' ' A' ' 121' ' ' ARG . 36.6 m-85 -144.66 138.48 14.55 Favored Pre-proline 0 C--O 1.273 2.294 0 O-C-N 118.752 -2.468 . . . . 0.0 115.458 -172.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -69.54 -19.71 36.8 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 CA-C-O 113.61 -2.746 . . . . 0.0 113.305 167.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 15.1 m -145.02 155.05 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 CA-C-N 122.265 2.302 . . . . 0.0 110.732 -176.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 27.5 m -140.33 139.3 20.45 Favored Pre-proline 0 CA--C 1.602 2.959 0 C-N-CA 126.844 2.058 . . . . 0.0 112.303 -177.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.461 ' HB2' ' CE2' ' A' ' 11' ' ' PHE . 84.1 Cg_endo -67.94 135.61 35.66 Favored 'Trans proline' 0 C--N 1.287 -2.707 1 C-N-CA 126.036 4.491 . . . . 0.0 111.544 172.095 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 34.6 m -125.22 -10.59 5.71 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.188 0 O-C-N 117.756 -3.09 . . . . 0.0 113.367 177.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -157.6 143.48 17.45 Favored 'General case' 0 C--O 1.261 1.679 0 C-N-CA 117.233 -1.787 . . . . 0.0 111.74 -177.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 13.1 tp -74.94 173.87 10.06 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 116.503 -1.713 . . . . 0.0 113.531 169.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -139.03 -42.54 0.47 Allowed 'General case' 0 C--O 1.271 2.201 0 CA-C-O 125.859 2.742 . . . . 0.0 114.747 144.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.5 t -168.05 154.01 7.27 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 113.178 -1.828 . . . . 0.0 114.448 -162.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 65.5 p -132.83 126.07 31.46 Favored 'General case' 0 N--CA 1.501 2.115 1 C-N-CA 132.888 4.475 . . . . 0.0 110.669 173.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.561 1.366 0 O-C-N 117.199 -3.438 . . . . 0.0 114.981 -154.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 203' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 . . . . . 0 CA--C 1.551 1.01 0 CA-C-O 117.254 -1.355 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . 0.269 10.9 Cg_endo -56.27 172.48 0.63 Allowed 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 125.059 3.839 . . . . 0.0 117.456 -178.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -45.08 -35.89 11.04 Favored 'Trans proline' 0 N--CA 1.513 2.662 1 C-N-CA 126.568 4.846 . . . . 0.0 118.022 -175.107 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -148.1 3.87 0.71 Allowed 'General case' 0 CA--C 1.6 2.874 0 O-C-N 120.717 -1.239 . . . . 0.0 113.585 -167.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.368 31.3 m-85 -142.5 147.88 36.74 Favored 'General case' 0 CA--C 1.577 1.985 0 O-C-N 118.765 -2.459 . . . . 0.0 104.839 -162.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.8 p -63.4 163.84 10.11 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 125.044 2.354 . . . . 0.0 108.847 159.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -60.94 -47.91 84.24 Favored 'General case' 0 C--N 1.403 2.924 0 CA-C-N 112.339 -2.21 . . . . 0.0 113.427 175.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.73 -31.76 69.92 Favored 'General case' 0 CA--C 1.589 2.475 1 C-N-CA 133.549 4.74 . . . . 0.0 110.311 175.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . 0.262 46.8 mt-30 -81.46 -32.53 32.5 Favored 'General case' 0 C--O 1.263 1.814 0 C-N-CA 126.459 1.904 . . . . 0.0 113.592 171.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -79.07 -30.6 44.04 Favored 'General case' 0 C--O 1.267 2.01 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -59.45 -34.05 72.04 Favored 'General case' 0 C--O 1.244 0.787 0 N-CA-C 115.808 1.781 . . . . 0.0 115.808 157.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . 0.317 . . -71.77 -52.45 17.55 Favored 'General case' 0 CA--C 1.596 2.735 0 CA-C-O 117.633 -1.175 . . . . 0.0 113.178 176.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.6 mt -47.69 -41.78 8.57 Favored 'Isoleucine or valine' 0 C--N 1.374 1.654 0 C-N-CA 124.343 1.057 . . . . 0.0 112.266 170.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -82.42 -14.45 55.14 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 120.608 3.559 . . . . 0.0 120.608 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.274 79.7 m-70 -142.6 -10.22 0.82 Allowed 'General case' 0 CA--C 1.578 2.044 0 CA-C-O 114.112 -2.851 . . . . 0.0 116.164 -166.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.4 mm -128.34 113.77 31.4 Favored 'Isoleucine or valine' 0 C--N 1.368 1.371 0 N-CA-C 118.299 2.703 . . . . 0.0 118.299 -168.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 64.8 m -159.87 108.84 1.77 Allowed 'General case' 0 CA--C 1.583 2.243 0 C-N-CA 127.804 2.441 . . . . 0.0 106.066 -176.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.9 tp -67.6 -13.97 62.53 Favored 'General case' 0 C--O 1.269 2.13 0 CA-C-O 113.605 -3.093 . . . . 0.0 112.958 -177.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -158.17 69.22 3.85 Favored Pre-proline 0 CA--C 1.628 3.949 0 N-CA-C 105.109 -2.182 . . . . 0.0 105.109 -177.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -70.28 169.14 20.28 Favored 'Trans proline' 0 CA--C 1.579 2.758 0 CA-C-N 120.943 1.372 . . . . 0.0 114.062 -161.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -72.34 176.39 8.7 Favored 'Trans proline' 0 C--O 1.261 1.633 0 C-N-CA 124.782 3.655 . . . . 0.0 111.152 166.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -64.14 140.77 58.9 Favored 'General case' 0 CA--C 1.581 2.16 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 172.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 12.6 m -45.1 -35.85 3.32 Favored 'General case' 0 C--O 1.255 1.345 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.2 p -58.97 1.07 0.07 Allowed 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 129.078 2.951 . . . . 0.0 115.66 175.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.7 mm -136.94 -29.23 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.466 -2.279 0 C-N-CA 127.586 2.354 . . . . 0.0 111.114 -177.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.11 -43.04 59.04 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 121.177 1.808 . . . . 0.0 111.558 176.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 39.9 mmm -50.3 -35.89 29.39 Favored 'General case' 0 C--O 1.205 -1.266 0 O-C-N 119.506 -1.996 . . . . 0.0 114.589 167.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -61.97 -22.8 65.95 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 124.705 2.193 . . . . 0.0 115.335 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.5 -24.08 12.17 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-N 111.428 -2.623 . . . . 0.0 118.039 170.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.83 -46.49 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.582 0 CA-C-O 117.234 -1.365 . . . . 0.0 111.234 165.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -80.29 -2.07 43.6 Favored 'General case' 0 CA--C 1.598 2.814 0 CA-C-N 121.214 1.824 . . . . 0.0 115.9 -167.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -95.97 11.21 34.77 Favored 'General case' 0 N--CA 1.521 3.078 0 O-C-N 120.944 -1.097 . . . . 0.0 109.3 165.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -131.39 -34.74 1.37 Allowed 'General case' 0 C--N 1.293 -1.872 0 C-N-CA 130.691 3.596 . . . . 0.0 117.316 -177.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -83.87 168.76 15.79 Favored 'General case' 0 N--CA 1.532 3.655 0 CA-C-N 122.116 2.235 . . . . 0.0 108.754 165.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -14.25 61.88 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 122.91 1.338 . . . . 0.0 112.676 -173.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -153.54 157.24 39.46 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.205 -173.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 85.9 m -69.93 120.11 15.16 Favored 'General case' 0 C--N 1.362 1.151 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.7 tttt -57.56 122.57 13.03 Favored 'General case' 0 CA--C 1.57 1.744 0 C-N-CA 127.264 2.226 . . . . 0.0 113.691 157.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -59.06 -47.21 86.05 Favored 'General case' 0 C--O 1.272 2.255 0 C-N-CA 128.313 2.645 . . . . 0.0 108.519 -170.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -145.11 151.07 37.91 Favored 'General case' 0 C--O 1.194 -1.842 0 C-N-CA 125.66 1.584 . . . . 0.0 108.569 -171.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -154.65 161.11 41.71 Favored 'General case' 0 N--CA 1.415 -2.201 0 C-N-CA 127.574 2.349 . . . . 0.0 108.35 170.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.5 m -131.29 134.39 46.33 Favored 'General case' 0 CA--C 1.478 -1.805 0 C-N-CA 128.118 2.567 . . . . 0.0 111.27 175.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -110.99 111.17 22.09 Favored 'General case' 0 N--CA 1.415 -2.19 1 C-N-CA 133.277 4.631 . . . . 0.0 113.363 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 75.0 mt -72.35 128.45 35.67 Favored 'General case' 0 C--N 1.374 1.643 0 N-CA-C 116.911 2.189 . . . . 0.0 116.911 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -80.59 76.62 7.45 Favored 'General case' 0 N--CA 1.505 2.312 0 CA-C-N 119.679 1.127 . . . . 0.0 111.451 171.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.271 1.2 t -158.05 175.03 14.32 Favored 'General case' 0 C--O 1.255 1.35 0 CA-C-O 125.565 2.602 . . . . 0.0 107.661 -174.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.3 p -115.93 148.96 39.48 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 111.371 -2.65 . . . . 0.0 116.401 -179.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -56.96 -38.97 73.7 Favored 'General case' 0 N--CA 1.5 2.033 0 C-N-CA 127.762 2.425 . . . . 0.0 114.604 -173.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.27 -20.45 63.92 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.86 -0.525 . . . . 0.0 111.615 177.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -72.93 -44.94 60.6 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 126.807 3.194 . . . . 0.0 114.577 175.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.5 t -67.25 -29.01 44.43 Favored 'Isoleucine or valine' 0 C--O 1.267 2.003 0 C-N-CA 127.422 2.289 . . . . 0.0 116.027 174.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 97.7 t -64.89 -30.6 50.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 120.0 1.273 . . . . 0.0 113.823 168.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -68.81 -16.14 63.7 Favored 'General case' 0 CA--C 1.584 2.265 0 O-C-N 119.757 -1.84 . . . . 0.0 114.058 166.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.4 t -79.83 -39.41 19.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 CA-C-N 122.049 2.204 . . . . 0.0 110.224 165.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 58.5 m -57.2 -22.54 41.49 Favored 'General case' 0 N--CA 1.517 2.923 0 N-CA-C 117.775 2.509 . . . . 0.0 117.775 169.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.04 -8.22 45.27 Favored Glycine 0 CA--C 1.546 1.99 1 C-N-CA 131.986 4.612 . . . . 0.0 113.082 176.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -52.35 151.69 3.88 Favored 'General case' 0 N--CA 1.503 2.213 0 CA-C-N 118.597 1.198 . . . . 0.0 112.275 152.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -38.18 148.82 0.04 OUTLIER 'General case' 0 C--N 1.375 1.687 0 CA-C-O 123.614 1.673 . . . . 0.0 114.513 172.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.2 m -79.37 131.96 36.27 Favored 'General case' 0 N--CA 1.499 1.986 0 CA-C-O 125.729 2.68 . . . . 0.0 110.262 171.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 13.6 pt -131.07 -172.06 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 C-N-CA 127.509 2.324 . . . . 0.0 105.523 173.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -142.24 146.11 34.8 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 130.131 3.372 . . . . 0.0 115.452 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 65.9 m -131.06 157.9 76.75 Favored Pre-proline 1 CA--C 1.632 4.099 0 CA-C-O 116.64 -1.648 . . . . 0.0 112.668 -158.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -59.66 -19.02 51.11 Favored 'Trans proline' 0 C--N 1.325 -0.685 1 N-CA-C 124.261 4.677 . . . . 0.0 124.261 172.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -131.79 58.36 1.74 Allowed 'General case' 0 CA--C 1.578 2.026 0 O-C-N 120.268 -1.52 . . . . 0.0 110.654 -168.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -151.46 -0.87 0.34 Allowed 'General case' 0 C--O 1.198 -1.625 0 N-CA-C 119.09 2.996 . . . . 0.0 119.09 -153.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.4 ptt-85 -48.31 -20.78 0.43 Allowed 'General case' 0 CA--C 1.541 0.63 1 C-N-CA 132.118 4.167 . . . . 0.0 115.059 -176.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.6 p -60.64 -25.23 66.15 Favored 'General case' 0 CA--C 1.581 2.135 0 CA-C-N 121.916 2.144 . . . . 0.0 112.872 167.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.302 2.4 pt? -141.32 -16.16 0.84 Allowed 'General case' 0 CA--C 1.589 2.459 0 O-C-N 118.445 -2.659 . . . . 0.0 116.225 -176.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.4 t30 51.49 33.18 9.9 Favored 'General case' 0 CA--C 1.613 3.401 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -168.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -146.54 140.72 26.35 Favored 'General case' 0 C--O 1.299 3.668 0 C-N-CA 123.723 0.809 . . . . 0.0 112.031 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.5 p -142.34 -178.68 5.86 Favored 'General case' 0 CA--C 1.564 1.509 0 CA-C-O 122.8 1.286 . . . . 0.0 111.557 172.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -147.41 147.0 29.79 Favored 'General case' 0 CA--C 1.563 1.467 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 171.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -121.62 155.53 34.9 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 124.363 1.04 . . . . 0.0 113.05 178.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.1 p -71.47 167.47 19.56 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 125.253 2.454 . . . . 0.0 109.12 -167.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 78.4 mtt-85 -92.01 -27.28 17.92 Favored 'General case' 0 N--CA 1.505 2.29 0 CA-C-O 123.78 1.752 . . . . 0.0 111.179 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -143.73 172.98 12.08 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-O 117.632 -1.175 . . . . 0.0 112.341 -176.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . 0.312 42.7 mtm180 -89.35 155.69 19.19 Favored 'General case' 0 N--CA 1.422 -1.826 0 O-C-N 125.01 1.444 . . . . 0.0 107.534 171.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.0 m -141.34 153.11 65.73 Favored Pre-proline 0 CA--C 1.577 2.011 0 C-N-CA 125.925 1.69 . . . . 0.0 107.445 174.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -54.45 146.52 51.84 Favored 'Trans proline' 0 C--N 1.378 2.103 0 C-N-CA 122.419 2.079 . . . . 0.0 112.12 165.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.0 pp -149.55 160.89 43.11 Favored 'General case' 0 N--CA 1.435 -1.187 0 O-C-N 125.247 1.592 . . . . 0.0 114.385 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.2 tp -129.12 106.91 9.17 Favored 'General case' 0 CA--C 1.559 1.304 0 CA-C-O 125.366 2.508 . . . . 0.0 107.299 176.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -76.57 145.07 39.24 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 127.299 2.239 . . . . 0.0 111.26 169.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 48.5 m -136.35 146.64 46.76 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 120.093 1.315 . . . . 0.0 108.221 -169.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -147.94 114.98 6.15 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 125.223 1.577 . . . . 0.0 109.882 -152.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 38.0 tp -60.72 94.07 0.03 OUTLIER 'General case' 0 C--N 1.39 2.362 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 170.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.3 pt -61.67 -10.02 3.68 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.428 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 174.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.284 52.2 t30 -112.14 59.89 0.55 Allowed Pre-proline 0 C--N 1.292 -1.917 0 C-N-CA 126.069 1.748 . . . . 0.0 113.717 174.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -57.54 -16.13 22.74 Favored 'Trans proline' 0 N--CA 1.498 1.774 0 CA-C-N 123.727 2.367 . . . . 0.0 113.678 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -44.31 -16.15 0.05 OUTLIER Glycine 0 C--N 1.361 1.955 0 O-C-N 117.976 -2.953 . . . . 0.0 117.608 168.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -142.78 173.49 11.49 Favored 'General case' 1 CA--C 1.631 4.089 0 O-C-N 125.393 1.29 . . . . 0.0 113.84 -162.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -156.44 -19.65 0.1 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 125.238 1.415 . . . . 0.0 114.484 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -60.35 128.78 38.4 Favored 'General case' 0 CA--C 1.599 2.832 0 CA-C-N 120.675 1.579 . . . . 0.0 115.044 155.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 15.6 pt -44.26 -36.01 1.17 Allowed 'Isoleucine or valine' 0 C--O 1.273 2.338 0 CA-C-O 114.438 -2.696 . . . . 0.0 113.747 161.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.5 m -65.13 -5.5 6.82 Favored 'General case' 0 N--CA 1.507 2.425 0 O-C-N 127.626 3.079 . . . . 0.0 115.286 174.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -140.75 -7.71 1.09 Allowed 'General case' 0 CA--C 1.588 2.408 0 N-CA-C 119.056 2.984 . . . . 0.0 119.056 172.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 74.1 m -64.35 144.8 56.9 Favored 'General case' 0 C--O 1.259 1.555 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 169.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -143.8 152.53 41.33 Favored 'General case' 0 C--N 1.387 2.239 0 N-CA-C 105.951 -1.87 . . . . 0.0 105.951 177.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -134.41 168.4 19.0 Favored 'General case' 0 N--CA 1.513 2.701 0 CA-C-N 120.047 1.294 . . . . 0.0 113.404 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -147.56 149.7 33.08 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 127.332 2.253 . . . . 0.0 111.722 -176.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -76.39 143.73 40.48 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 125.477 1.511 . . . . 0.0 112.792 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -145.28 92.0 5.72 Favored Pre-proline 0 N--CA 1.509 2.521 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 178.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -70.26 170.86 16.16 Favored 'Trans proline' 0 C--O 1.264 1.788 1 C-N-CA 126.623 4.882 . . . . 0.0 110.946 176.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 178.53 176.59 46.55 Favored Glycine 0 CA--C 1.477 -2.287 0 C-N-CA 128.948 3.166 . . . . 0.0 108.34 172.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -144.15 97.44 3.05 Favored 'General case' 0 CA--C 1.563 1.46 0 CA-C-O 115.384 -2.246 . . . . 0.0 113.766 171.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 91.7 mtm-85 -134.13 160.28 38.28 Favored 'General case' 0 N--CA 1.511 2.623 0 C-N-CA 129.814 3.246 . . . . 0.0 112.178 -163.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . 0.291 29.4 m-85 -72.23 158.39 35.94 Favored 'General case' 0 CA--C 1.585 2.319 0 N-CA-C 106.703 -1.592 . . . . 0.0 106.703 164.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -141.77 166.12 25.61 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 113.031 -1.895 . . . . 0.0 112.919 -176.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.3 t -141.18 138.06 33.62 Favored 'Isoleucine or valine' 0 C--O 1.255 1.368 0 CA-C-N 114.503 -1.226 . . . . 0.0 113.238 -169.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.2 m -141.04 160.16 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.493 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -169.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -101.99 148.47 25.32 Favored 'General case' 0 C--O 1.269 2.09 0 C-N-CA 116.889 -1.924 . . . . 0.0 109.969 160.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 85.6 m -126.33 168.43 14.16 Favored 'General case' 0 N--CA 1.399 -3.013 0 O-C-N 118.746 -2.471 . . . . 0.0 104.674 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -144.45 169.22 18.36 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 113.843 -1.526 . . . . 0.0 112.738 -176.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . 0.281 31.4 t30 -65.64 147.42 53.42 Favored 'General case' 0 CA--C 1.552 1.057 0 O-C-N 117.738 -3.101 . . . . 0.0 112.454 167.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.98 136.01 2.23 Favored 'General case' 0 CA--C 1.578 2.02 0 C-N-CA 131.246 3.819 . . . . 0.0 115.917 165.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -50.25 146.42 8.69 Favored Pre-proline 0 N--CA 1.496 1.866 0 C-N-CA 127.563 2.345 . . . . 0.0 108.166 169.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -49.81 -28.28 17.56 Favored 'Trans proline' 0 N--CA 1.439 -1.714 0 C-N-CA 124.533 3.488 . . . . 0.0 116.304 175.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 69.7 mtt85 -130.5 -36.77 1.43 Allowed 'General case' 0 CA--C 1.571 1.76 0 CA-C-N 120.554 1.524 . . . . 0.0 112.965 -164.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -94.47 141.23 28.83 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 124.607 1.192 . . . . 0.0 108.61 -171.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.8 m 40.54 69.87 1.74 Allowed Pre-proline 0 C--N 1.31 -1.149 0 N-CA-C 119.669 3.211 . . . . 0.0 119.669 178.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -75.11 -27.89 9.45 Favored 'Trans proline' 0 CA--C 1.557 1.659 0 N-CA-C 119.389 2.803 . . . . 0.0 119.389 -177.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.54 -13.8 54.39 Favored 'General case' 0 C--O 1.211 -0.93 0 C-N-CA 124.003 0.921 . . . . 0.0 112.019 -168.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -89.92 113.67 57.91 Favored Pre-proline 0 C--N 1.289 -2.023 0 C-N-CA 126.834 2.054 . . . . 0.0 106.874 174.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -69.28 -20.3 37.27 Favored 'Trans proline' 0 CA--C 1.575 2.542 0 CA-C-N 120.74 1.3 . . . . 0.0 108.932 -174.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.2 m -151.71 160.94 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 127.987 2.515 . . . . 0.0 104.53 -172.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 20.6 m -145.87 141.2 16.43 Favored Pre-proline 0 C--N 1.347 0.492 0 C-N-CA 130.13 3.372 . . . . 0.0 115.353 -171.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.86 143.59 45.94 Favored 'Trans proline' 0 C--N 1.362 1.273 1 C-N-CA 125.339 4.026 . . . . 0.0 109.043 178.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.0 m -142.56 -19.11 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.612 3.357 0 CA-C-N 120.736 1.607 . . . . 0.0 112.542 -169.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -148.87 139.73 22.87 Favored 'General case' 0 CA--C 1.592 2.578 0 O-C-N 124.317 1.01 . . . . 0.0 110.698 176.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 24.3 tp -106.03 122.53 46.34 Favored 'General case' 0 N--CA 1.508 2.458 0 CA-C-O 115.75 -2.071 . . . . 0.0 108.602 170.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -95.44 -50.5 4.97 Favored 'General case' 0 N--CA 1.423 -1.793 0 O-C-N 126.761 2.538 . . . . 0.0 117.409 177.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . 0.299 9.1 t -162.61 167.44 23.24 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-N 120.176 1.353 . . . . 0.0 107.634 -176.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 19.0 p -133.07 129.62 38.27 Favored 'General case' 0 CA--C 1.591 2.529 0 C-N-CA 128.617 2.767 . . . . 0.0 112.392 173.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.254 0.0 OUTLIER . . . . . 0 C--N 1.401 2.807 0 O-C-N 118.857 -2.402 . . . . 0.0 109.482 -163.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 203' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 29.3 ttt85 . . . . . 0 N--CA 1.504 2.27 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -56.88 163.56 7.28 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 122.677 2.252 . . . . 0.0 115.642 168.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 99.6 Cg_exo -50.31 -31.37 29.51 Favored 'Trans proline' 0 N--CA 1.533 3.819 0 C-N-CA 124.398 3.399 . . . . 0.0 115.495 177.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.3 13.9 pt20 -145.28 -2.61 0.77 Allowed 'General case' 0 C--O 1.257 1.48 0 CA-C-N 121.45 1.932 . . . . 0.0 109.376 -176.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -133.44 169.88 16.31 Favored 'General case' 0 N--CA 1.504 2.258 0 CA-C-N 122.259 2.3 . . . . 0.0 111.168 -170.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.5 p -80.96 177.88 8.77 Favored 'General case' 0 N--CA 1.504 2.271 0 CA-C-N 120.79 1.632 . . . . 0.0 107.679 154.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -67.63 -35.66 79.35 Favored 'General case' 0 C--O 1.263 1.81 0 CA-C-N 114.894 -1.048 . . . . 0.0 112.728 177.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . 0.253 . . -77.97 -32.56 51.45 Favored 'General case' 0 C--N 1.371 1.52 0 O-C-N 124.758 1.286 . . . . 0.0 111.831 179.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -64.43 -46.44 83.19 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 127.364 2.266 . . . . 0.0 109.66 169.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -68.83 -33.89 74.58 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 118.2 -2.812 . . . . 0.0 110.467 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -68.2 -34.08 75.6 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 117.457 -1.259 . . . . 0.0 113.858 176.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.4 -73.54 0.04 OUTLIER 'General case' 0 N--CA 1.512 2.633 0 C-N-CA 125.206 1.402 . . . . 0.0 111.011 164.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.3 mt -46.06 -41.08 3.93 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 O-C-N 127.65 3.094 . . . . 0.0 109.312 -168.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -81.16 -17.99 47.88 Favored 'General case' 0 C--O 1.274 2.351 0 O-C-N 125.013 1.446 . . . . 0.0 113.274 -174.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -156.95 -11.05 0.09 Allowed 'General case' 0 C--O 1.189 -2.106 0 N-CA-C 119.296 3.073 . . . . 0.0 119.296 -156.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.4 mm -132.33 121.65 46.34 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.506 0 O-C-N 118.058 -2.901 . . . . 0.0 104.534 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.3 m -158.21 129.83 6.71 Favored 'General case' 0 N--CA 1.412 -2.357 0 C-N-CA 129.305 3.042 . . . . 0.0 108.88 168.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.296 21.7 tp -73.68 -33.77 64.59 Favored 'General case' 0 N--CA 1.534 3.734 0 CA-C-N 114.103 -1.408 . . . . 0.0 112.211 -172.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . 0.255 9.6 p-10 -134.68 76.56 60.22 Favored Pre-proline 0 N--CA 1.498 1.956 0 N-CA-C 114.247 1.202 . . . . 0.0 114.247 167.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.85 164.25 35.08 Favored 'Trans proline' 0 N--CA 1.52 3.031 0 C-N-CA 117.516 -1.189 . . . . 0.0 113.603 -169.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.88 176.88 6.28 Favored 'Trans proline' 0 C--O 1.198 -1.492 0 O-C-N 125.269 2.194 . . . . 0.0 109.324 169.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -65.4 160.45 21.93 Favored 'General case' 0 C--N 1.361 1.068 0 O-C-N 116.51 -3.869 . . . . 0.0 112.364 172.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 93.9 m -58.63 -38.01 77.13 Favored 'General case' 0 C--O 1.208 -1.132 0 CA-C-N 113.213 -1.812 . . . . 0.0 115.86 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.6 p -34.74 -32.61 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 120.014 3.338 . . . . 0.0 120.014 160.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.7 mm -116.51 -36.21 1.99 Allowed 'Isoleucine or valine' 0 C--O 1.265 1.894 0 CA-C-O 114.832 -2.509 . . . . 0.0 113.11 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.81 -20.84 64.33 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-N 124.203 3.183 . . . . 0.0 113.678 175.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 47.0 mmm -69.57 -28.26 65.83 Favored 'General case' 0 N--CA 1.414 -2.232 0 C-N-CA 119.089 -1.045 . . . . 0.0 113.363 176.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -58.92 -37.02 75.73 Favored 'General case' 0 N--CA 1.512 2.645 0 C-N-CA 128.005 2.522 . . . . 0.0 111.674 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.401 . . -49.65 -27.74 5.03 Favored 'General case' 0 C--N 1.364 1.207 0 CA-C-N 121.217 1.826 . . . . 0.0 111.965 175.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . 0.265 0.1 OUTLIER -109.32 -61.87 2.36 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.377 0 O-C-N 120.444 -1.41 . . . . 0.0 109.022 170.339 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -65.62 -7.38 14.75 Favored 'General case' 0 N--CA 1.414 -2.256 0 CA-C-N 124.032 3.105 . . . . 0.0 117.322 -169.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -116.92 16.66 15.14 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 118.074 -2.892 . . . . 0.0 109.353 175.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -137.85 -36.33 0.62 Allowed 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 126.727 2.011 . . . . 0.0 111.954 -169.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -95.76 163.33 13.22 Favored 'General case' 0 N--CA 1.414 -2.273 0 C-N-CA 127.42 2.288 . . . . 0.0 111.962 169.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -68.07 -20.08 64.93 Favored 'General case' 0 CA--C 1.569 1.698 0 O-C-N 119.318 -2.114 . . . . 0.0 114.569 -158.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -145.34 163.19 35.31 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 128.642 2.777 . . . . 0.0 114.859 -178.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.6 m -63.04 121.17 12.93 Favored 'General case' 0 CA--C 1.577 2.016 0 O-C-N 119.419 -2.051 . . . . 0.0 116.322 168.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.1 tttt -70.8 139.59 51.0 Favored 'General case' 1 N--CA 1.562 5.169 0 C-N-CA 125.37 1.468 . . . . 0.0 109.418 159.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -72.22 -42.76 65.37 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-O 117.673 -1.156 . . . . 0.0 113.652 -177.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -148.61 158.82 44.39 Favored 'General case' 0 CA--C 1.561 1.385 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -168.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -169.76 144.92 2.94 Favored 'General case' 0 C--O 1.199 -1.599 0 O-C-N 120.078 -1.639 . . . . 0.0 110.912 -177.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.4 m -111.78 145.45 39.37 Favored 'General case' 0 C--O 1.201 -1.478 0 C-N-CA 126.408 1.883 . . . . 0.0 110.691 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -133.11 143.72 49.47 Favored 'General case' 0 N--CA 1.51 2.533 0 C-N-CA 127.13 2.172 . . . . 0.0 108.871 177.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.0 mt -107.97 139.97 41.8 Favored 'General case' 0 C--N 1.387 2.231 0 O-C-N 124.633 1.208 . . . . 0.0 109.827 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -90.06 86.39 6.56 Favored 'General case' 0 C--N 1.366 1.307 0 CA-C-O 123.337 1.541 . . . . 0.0 109.33 172.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.2 t -160.25 -167.72 2.0 Allowed 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 112.436 -2.166 . . . . 0.0 109.296 -170.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . 0.252 69.0 p -136.0 158.55 44.13 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.95 1.7 . . . . 0.0 108.8 -165.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -71.23 -55.88 7.19 Favored 'General case' 0 CA--C 1.579 2.077 0 C-N-CA 116.127 -2.229 . . . . 0.0 112.841 -165.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.22 -21.33 59.36 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.114 1.366 . . . . 0.0 112.282 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -65.55 -35.12 79.91 Favored 'General case' 0 CA--C 1.589 2.461 0 CA-C-O 115.56 -2.162 . . . . 0.0 114.284 161.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.0 t -84.82 -26.96 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.926 0 CA-C-O 114.756 -2.545 . . . . 0.0 107.406 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 97.4 t -59.29 -40.69 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.936 0 CA-C-N 120.784 1.629 . . . . 0.0 110.183 166.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -68.8 -9.72 52.66 Favored 'General case' 0 CA--C 1.619 3.622 1 O-C-N 115.432 -4.543 . . . . 0.0 110.202 -178.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.7 t -89.97 -31.68 5.33 Favored 'Isoleucine or valine' 0 C--N 1.394 2.541 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 173.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 78.4 m -61.19 -25.26 66.91 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-O 115.919 -1.991 . . . . 0.0 112.006 155.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -93.73 -16.51 45.13 Favored Glycine 0 C--O 1.273 2.585 0 O-C-N 128.406 3.566 . . . . 0.0 114.634 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -61.27 162.55 7.48 Favored 'General case' 0 CA--C 1.59 2.505 0 N-CA-C 102.648 -3.093 . . . . 0.0 102.648 160.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . 0.255 52.9 mt-30 -57.25 147.74 24.52 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 114.458 -2.687 . . . . 0.0 114.256 -177.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 m -64.85 152.0 44.05 Favored 'General case' 0 C--O 1.269 2.098 0 N-CA-C 117.118 2.266 . . . . 0.0 117.118 173.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.2 pt -151.04 178.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.258 0 C-N-CA 125.947 1.699 . . . . 0.0 107.426 169.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.4 ptt-85 -134.53 144.29 47.92 Favored 'General case' 0 C--N 1.361 1.077 1 O-C-N 115.489 -4.507 . . . . 0.0 111.156 172.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 57.5 m -113.5 170.53 5.24 Favored Pre-proline 0 CA--C 1.61 3.27 0 N-CA-C 116.693 2.108 . . . . 0.0 116.693 -162.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -83.53 -1.54 10.19 Favored 'Trans proline' 0 N--CA 1.529 3.606 0 C-N-CA 125.286 3.99 . . . . 0.0 115.535 -173.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -132.87 22.3 4.2 Favored 'General case' 0 C--N 1.286 -2.19 0 C-N-CA 124.022 0.929 . . . . 0.0 109.223 -175.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -129.46 8.21 5.42 Favored 'General case' 0 N--CA 1.513 2.691 0 C-N-CA 126.281 1.832 . . . . 0.0 115.342 -158.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.8 ptt-85 -43.56 -36.42 2.08 Favored 'General case' 0 C--O 1.217 -0.623 0 C-N-CA 127.407 2.283 . . . . 0.0 115.561 -177.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.0 p -51.8 -38.71 56.8 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 128.689 2.795 . . . . 0.0 111.913 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.362 2.3 pt? -128.5 -10.1 5.11 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 113.713 -3.042 . . . . 0.0 114.306 176.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.9 t30 57.17 25.87 11.48 Favored 'General case' 0 N--CA 1.434 -1.225 0 O-C-N 126.64 2.462 . . . . 0.0 115.021 167.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -152.31 136.59 16.65 Favored 'General case' 0 N--CA 1.438 -1.033 0 O-C-N 117.725 -3.109 . . . . 0.0 106.457 -175.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.1 p -155.66 178.44 10.25 Favored 'General case' 0 C--N 1.365 1.276 0 CA-C-O 117.152 -1.404 . . . . 0.0 110.655 -172.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -152.78 154.52 35.35 Favored 'General case' 0 N--CA 1.408 -2.535 0 CA-C-O 124.488 2.09 . . . . 0.0 109.383 175.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -124.88 153.68 42.24 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 123.613 1.673 . . . . 0.0 111.323 173.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 94.7 p -65.9 164.8 14.26 Favored 'General case' 0 N--CA 1.515 2.822 0 CA-C-N 114.196 -1.366 . . . . 0.0 113.973 -175.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 47.6 mtt-85 -101.47 -18.01 16.18 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 114.522 -1.217 . . . . 0.0 113.988 -172.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -138.68 168.76 19.1 Favored 'General case' 0 CA--C 1.605 3.06 0 O-C-N 127.252 2.845 . . . . 0.0 111.31 172.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.4 mtm180 -67.82 148.85 50.65 Favored 'General case' 0 C--O 1.2 -1.523 0 O-C-N 118.111 -2.868 . . . . 0.0 112.513 163.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.2 m -131.09 153.24 81.69 Favored Pre-proline 0 N--CA 1.512 2.627 0 O-C-N 118.61 -2.557 . . . . 0.0 112.981 173.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -70.4 161.57 45.53 Favored 'Trans proline' 0 CA--C 1.483 -2.039 0 CA-C-N 124.202 2.536 . . . . 0.0 112.795 169.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 pp -155.67 176.28 12.82 Favored 'General case' 0 CA--C 1.562 1.434 0 O-C-N 126.77 2.543 . . . . 0.0 115.839 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 44.2 tp -132.22 141.72 49.16 Favored 'General case' 0 CA--C 1.576 1.974 0 C-N-CA 128.317 2.647 . . . . 0.0 110.44 168.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -120.46 156.58 31.17 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 105.885 -1.894 . . . . 0.0 105.885 162.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 91.2 m -129.59 144.5 51.3 Favored 'General case' 0 CA--C 1.487 -1.442 0 CA-C-N 113.886 -1.506 . . . . 0.0 107.285 -170.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -129.25 118.46 22.38 Favored 'General case' 0 C--O 1.274 2.351 0 C-N-CA 127.274 2.23 . . . . 0.0 111.912 -169.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.6 tp -68.61 107.6 3.02 Favored 'General case' 0 C--O 1.189 -2.096 0 CA-C-N 121.076 1.762 . . . . 0.0 111.025 169.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.4 pt -80.99 9.74 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.581 2.162 0 CA-C-O 122.816 1.294 . . . . 0.0 111.266 -175.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -130.52 66.42 78.4 Favored Pre-proline 0 N--CA 1.533 3.725 0 O-C-N 120.094 -1.629 . . . . 0.0 111.542 175.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -59.38 -17.69 41.74 Favored 'Trans proline' 0 N--CA 1.509 2.441 0 C-N-CA 124.447 3.431 . . . . 0.0 118.821 -154.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -103.34 -15.27 23.76 Favored Glycine 0 N--CA 1.511 3.698 1 C-N-CA 131.561 4.41 . . . . 0.0 116.211 174.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.29 149.66 28.15 Favored 'General case' 1 N--CA 1.544 4.226 0 CA-C-N 121.304 2.552 . . . . 0.0 112.191 160.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -144.59 3.33 1.12 Allowed 'General case' 0 N--CA 1.425 -1.722 0 C-N-CA 127.336 2.254 . . . . 0.0 110.958 -172.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -127.07 129.07 47.29 Favored 'General case' 0 N--CA 1.504 2.251 0 C-N-CA 129.383 3.073 . . . . 0.0 111.493 175.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 29.9 pt -56.28 -14.92 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 172.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.0 m -55.97 -14.97 2.86 Favored 'General case' 0 CA--C 1.586 2.334 1 O-C-N 114.846 -4.909 . . . . 0.0 115.47 161.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -148.71 -4.45 0.44 Allowed 'General case' 0 CA--C 1.596 2.724 0 O-C-N 120.297 -1.502 . . . . 0.0 111.535 177.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 72.4 m -66.38 133.55 50.72 Favored 'General case' 0 CA--C 1.583 2.243 0 O-C-N 119.38 -2.075 . . . . 0.0 113.261 171.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -130.65 163.7 26.62 Favored 'General case' 0 CA--C 1.574 1.888 0 O-C-N 120.556 -1.34 . . . . 0.0 109.855 173.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -133.22 163.2 29.81 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.668 1.987 . . . . 0.0 112.766 -167.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -143.62 -175.87 4.74 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 116.991 -1.48 . . . . 0.0 111.184 159.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -116.59 140.34 49.5 Favored 'General case' 0 N--CA 1.52 3.067 0 C-N-CA 127.538 2.335 . . . . 0.0 108.644 -166.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -131.82 83.63 56.73 Favored Pre-proline 0 C--N 1.274 -2.714 0 CA-C-N 113.934 -1.484 . . . . 0.0 114.997 162.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -56.46 142.36 89.38 Favored 'Trans proline' 0 C--N 1.382 2.298 1 C-N-CA 125.73 4.287 . . . . 0.0 114.425 168.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -168.45 -164.24 23.81 Favored Glycine 0 C--O 1.203 -1.791 0 O-C-N 125.794 1.934 . . . . 0.0 111.989 -178.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -160.32 104.45 1.45 Allowed 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 116.7 -1.619 . . . . 0.0 108.939 -166.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 39.9 mtm-85 -141.13 169.88 16.78 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 116.304 1.965 . . . . 0.0 116.304 -170.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -73.28 166.08 23.84 Favored 'General case' 0 N--CA 1.538 3.957 0 CA-C-N 112.304 -2.226 . . . . 0.0 111.479 156.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -148.01 171.95 15.0 Favored 'General case' 0 C--O 1.206 -1.196 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 175.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.8 t -138.1 119.5 17.37 Favored 'Isoleucine or valine' 0 C--O 1.305 3.987 1 C-N-CA 132.812 4.445 . . . . 0.0 109.797 -171.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.8 m -129.41 165.48 29.28 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.412 0 C-N-CA 126.761 2.024 . . . . 0.0 111.257 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -120.25 152.26 38.01 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 117.715 -3.116 . . . . 0.0 111.637 165.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 74.4 m -142.5 157.76 44.4 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 126.492 2.37 . . . . 0.0 111.554 -163.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -150.15 -179.77 7.45 Favored 'General case' 0 CA--C 1.585 2.309 0 CA-C-N 113.16 -1.836 . . . . 0.0 112.574 -170.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -67.06 148.3 52.08 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 123.417 0.687 . . . . 0.0 109.828 175.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -52.21 156.53 1.63 Allowed 'General case' 0 N--CA 1.495 1.819 0 CA-C-O 127.743 3.64 . . . . 0.0 109.25 178.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -62.14 144.16 94.63 Favored Pre-proline 0 CA--C 1.599 2.863 0 O-C-N 118.676 -2.515 . . . . 0.0 109.159 161.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -54.41 -19.09 16.32 Favored 'Trans proline' 0 N--CA 1.534 3.877 0 CA-C-O 111.32 -3.7 . . . . 0.0 116.517 172.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -139.49 -23.54 0.88 Allowed 'General case' 0 N--CA 1.516 2.84 1 CA-C-N 128.244 5.02 . . . . 0.0 115.31 172.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -75.35 146.38 40.95 Favored 'General case' 0 C--N 1.406 3.055 0 O-C-N 120.659 -1.275 . . . . 0.0 110.427 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.4 m 44.55 66.57 4.88 Favored Pre-proline 0 N--CA 1.506 2.351 0 N-CA-C 116.834 2.161 . . . . 0.0 116.834 170.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.26 -12.02 25.18 Favored 'Trans proline' 0 N--CA 1.5 1.881 0 N-CA-C 121.097 3.46 . . . . 0.0 121.097 -170.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -70.37 -21.86 62.83 Favored 'General case' 0 CA--C 1.574 1.879 0 CA-C-O 121.495 0.664 . . . . 0.0 111.448 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -110.33 95.59 22.86 Favored Pre-proline 0 C--O 1.262 1.763 0 O-C-N 117.65 -3.156 . . . . 0.0 111.345 -171.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -58.68 -24.51 71.19 Favored 'Trans proline' 0 N--CA 1.443 -1.478 0 C-N-CA 124.35 3.366 . . . . 0.0 116.905 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 35.0 m -128.2 144.76 36.78 Favored 'Isoleucine or valine' 0 C--N 1.374 1.661 0 O-C-N 126.227 2.204 . . . . 0.0 111.974 169.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 3.3 m -148.5 154.59 41.58 Favored Pre-proline 0 N--CA 1.519 3.007 0 C-N-CA 127.321 2.249 . . . . 0.0 111.041 -169.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -72.68 144.53 39.78 Favored 'Trans proline' 1 CA--C 1.429 -4.737 0 O-C-N 128.547 3.92 . . . . 0.0 110.705 178.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 19.1 m -131.18 -15.73 1.57 Allowed 'Isoleucine or valine' 0 CA--C 1.586 2.332 0 O-C-N 125.675 1.859 . . . . 0.0 112.288 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -153.79 155.49 35.94 Favored 'General case' 0 N--CA 1.505 2.277 2 O-C-N 116.231 -4.043 . . . . 0.0 119.762 -174.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 15.4 tp -138.43 142.0 39.52 Favored 'General case' 0 N--CA 1.506 2.332 0 N-CA-C 105.162 -2.162 . . . . 0.0 105.162 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -122.82 -34.12 3.26 Favored 'General case' 0 CA--C 1.576 1.954 0 N-CA-C 119.061 2.985 . . . . 0.0 119.061 -170.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.2 t -160.61 170.99 19.73 Favored 'General case' 0 CA--C 1.562 1.438 0 CA-C-N 113.323 -1.762 . . . . 0.0 111.754 -170.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 82.3 p -144.39 141.78 29.91 Favored 'General case' 0 N--CA 1.491 1.581 1 C-N-CA 133.386 4.674 . . . . 0.0 116.508 155.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.501 2.101 0 CA-C-N 122.406 2.366 . . . . 0.0 108.519 -153.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 203' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 . . . . . 0 N--CA 1.513 2.723 0 CA-C-O 120.634 0.254 . . . . 0.0 111.648 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -58.78 156.77 31.07 Favored 'Trans proline' 0 C--N 1.377 2.037 0 CA-C-O 117.545 -1.106 . . . . 0.0 109.795 174.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -55.37 -28.86 65.36 Favored 'Trans proline' 0 CA--C 1.551 1.342 1 C-N-CA 129.84 7.027 . . . . 0.0 120.926 -175.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.336 4.5 pt20 -145.51 2.91 0.98 Allowed 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 176.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -114.23 171.96 7.3 Favored 'General case' 0 CA--C 1.589 2.446 0 O-C-N 119.811 -1.805 . . . . 0.0 111.823 171.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.0 p -91.11 158.7 16.5 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 158.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -60.76 -44.08 97.19 Favored 'General case' 0 C--N 1.367 1.343 0 O-C-N 117.421 -3.299 . . . . 0.0 112.063 -176.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.49 -38.42 53.86 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 128.249 2.619 . . . . 0.0 115.898 168.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -68.08 -50.86 52.38 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 126.216 1.807 . . . . 0.0 110.73 175.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -68.98 -34.17 74.87 Favored 'General case' 0 C--N 1.371 1.521 0 CA-C-N 114.077 -1.419 . . . . 0.0 110.801 -173.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -49.98 -55.61 13.91 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.688 1.195 . . . . 0.0 112.215 166.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.28 -44.14 80.05 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 128.94 2.896 . . . . 0.0 111.452 -177.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.2 mt -62.75 -26.97 42.07 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.434 0 CA-C-O 122.825 1.298 . . . . 0.0 112.302 176.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -82.47 -29.85 30.34 Favored 'General case' 0 N--CA 1.486 1.363 1 CA-C-O 111.311 -4.185 . . . . 0.0 116.423 170.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -144.22 -6.69 0.73 Allowed 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 118.886 2.921 . . . . 0.0 118.886 -165.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 8.6 mm -135.73 107.35 7.1 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 C-N-CA 127.145 2.178 . . . . 0.0 109.755 -171.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 m -152.87 110.89 3.63 Favored 'General case' 0 CA--C 1.566 1.576 0 C-N-CA 129.099 2.96 . . . . 0.0 109.165 -174.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.3 tp -59.93 -36.63 77.44 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 123.358 2.799 . . . . 0.0 113.999 -175.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -144.42 48.74 0.91 Allowed Pre-proline 0 CA--C 1.574 1.884 0 C-N-CA 128.456 2.702 . . . . 0.0 108.59 -157.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -72.22 158.76 51.27 Favored 'Trans proline' 0 N--CA 1.435 -1.92 0 C-N-CA 122.36 2.04 . . . . 0.0 115.269 -167.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -68.67 176.34 6.03 Favored 'Trans proline' 0 CA--C 1.574 2.478 1 C-N-CA 125.59 4.193 . . . . 0.0 109.246 170.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -56.85 155.59 7.7 Favored 'General case' 1 N--CA 1.552 4.63 0 CA-C-N 114.117 -1.401 . . . . 0.0 113.291 162.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 62.3 m -54.03 -32.35 54.07 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 128.062 2.545 . . . . 0.0 116.179 169.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 45.3 p -37.99 -24.28 0.01 OUTLIER 'General case' 0 CA--C 1.588 2.435 0 CA-C-N 123.574 2.897 . . . . 0.0 114.435 160.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 37.5 mm -128.92 -35.46 0.69 Allowed 'Isoleucine or valine' 0 C--O 1.252 1.207 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 -166.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.16 -33.5 75.9 Favored 'General case' 0 CA--C 1.578 2.045 0 CA-C-O 115.702 -2.094 . . . . 0.0 110.832 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 58.6 mmm -73.44 -19.37 60.98 Favored 'General case' 0 C--O 1.257 1.466 0 O-C-N 128.012 3.32 . . . . 0.0 109.047 -177.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.33 -32.1 73.43 Favored 'General case' 0 C--N 1.404 2.941 0 CA-C-N 122.377 2.353 . . . . 0.0 111.057 170.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.84 -24.62 1.04 Allowed 'General case' 0 N--CA 1.443 -0.819 1 O-C-N 115.925 -4.234 . . . . 0.0 121.412 169.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -121.84 -38.34 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.422 -1.853 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 173.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -76.38 -0.42 22.66 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 116.66 -3.775 . . . . 0.0 119.652 -176.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -121.74 -4.49 9.19 Favored 'General case' 0 CA--C 1.598 2.821 0 N-CA-C 116.985 2.217 . . . . 0.0 116.985 166.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -77.18 -27.43 53.63 Favored 'General case' 0 C--O 1.211 -0.968 0 O-C-N 126.83 2.582 . . . . 0.0 112.859 164.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 61.5 mtt85 -135.7 165.51 25.4 Favored 'General case' 0 C--N 1.405 2.982 0 O-C-N 118.61 -2.557 . . . . 0.0 110.597 -167.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 -54.06 -29.74 45.29 Favored 'General case' 0 CA--C 1.487 -1.466 0 N-CA-C 120.985 3.698 . . . . 0.0 120.985 -171.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -137.57 157.17 47.09 Favored 'General case' 0 N--CA 1.518 2.963 1 C-N-CA 131.988 4.115 . . . . 0.0 113.291 -177.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.2 m -42.96 113.01 0.42 Allowed 'General case' 0 C--N 1.363 1.178 0 N-CA-C 116.447 2.018 . . . . 0.0 116.447 157.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -53.82 129.0 32.1 Favored 'General case' 0 C--O 1.181 -2.52 0 C-N-CA 128.467 2.707 . . . . 0.0 111.173 154.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -79.25 -31.79 43.59 Favored 'General case' 0 N--CA 1.41 -2.474 0 CA-C-N 121.838 2.108 . . . . 0.0 112.976 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -144.51 156.69 44.29 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 104.751 -2.315 . . . . 0.0 104.751 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -162.12 147.0 12.68 Favored 'General case' 0 CA--C 1.559 1.292 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 170.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.7 m -119.42 130.32 55.22 Favored 'General case' 0 C--N 1.372 1.587 0 C-N-CA 126.471 1.909 . . . . 0.0 107.845 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -118.96 133.46 55.81 Favored 'General case' 0 CA--C 1.569 1.702 0 C-N-CA 130.438 3.495 . . . . 0.0 114.865 174.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.0 mt -110.23 142.43 41.8 Favored 'General case' 0 CA--C 1.596 2.72 0 CA-C-N 123.137 2.699 . . . . 0.0 113.022 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -98.07 68.85 2.01 Favored 'General case' 0 N--CA 1.509 2.477 0 CA-C-O 122.107 0.956 . . . . 0.0 112.558 -174.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.3 t -142.68 158.68 43.4 Favored 'General case' 0 CA--C 1.568 1.661 0 C-N-CA 126.761 2.024 . . . . 0.0 112.806 171.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . 0.292 42.5 p -71.45 147.88 47.41 Favored 'General case' 0 C--O 1.167 -3.279 0 N-CA-C 117.964 2.579 . . . . 0.0 117.964 173.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -54.03 -41.16 67.72 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 118.156 -0.926 . . . . 0.0 111.845 -172.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.71 -20.97 57.99 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 127.418 2.287 . . . . 0.0 116.095 -176.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -71.94 -39.88 69.13 Favored 'General case' 0 C--O 1.257 1.483 0 CA-C-O 114.996 -2.431 . . . . 0.0 108.745 166.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.36 -30.38 49.63 Favored 'Isoleucine or valine' 0 C--O 1.17 -3.107 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 164.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.6 t -60.0 -38.77 78.06 Favored 'Isoleucine or valine' 0 C--O 1.271 2.217 0 C-N-CA 117.246 -1.781 . . . . 0.0 113.01 175.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -61.95 -26.43 68.19 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-O 116.461 -1.733 . . . . 0.0 115.204 170.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.8 t -66.74 -42.1 88.95 Favored 'Isoleucine or valine' 0 C--N 1.372 1.549 0 O-C-N 125.509 1.756 . . . . 0.0 110.606 167.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 84.1 m -62.56 -34.3 76.68 Favored 'General case' 0 C--N 1.371 1.525 0 C-N-CA 116.585 -2.046 . . . . 0.0 108.903 174.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.69 -20.94 53.89 Favored Glycine 1 CA--C 1.587 4.59 0 C-N-CA 124.702 1.144 . . . . 0.0 111.333 175.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -74.32 167.9 20.72 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 117.606 -3.291 . . . . 0.0 111.299 -177.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -45.67 141.44 2.87 Favored 'General case' 0 N--CA 1.529 3.514 1 O-C-N 116.011 -4.181 . . . . 0.0 116.465 -174.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.2 m -84.04 130.46 34.87 Favored 'General case' 0 CA--C 1.572 1.817 0 N-CA-C 114.228 1.195 . . . . 0.0 114.228 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 35.0 pt -137.04 -165.48 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.527 3.383 0 CA-C-O 123.135 1.445 . . . . 0.0 108.369 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.7 ptt-85 -128.68 176.79 7.52 Favored 'General case' 0 C--O 1.258 1.535 0 O-C-N 117.923 -2.986 . . . . 0.0 114.405 170.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.3 m -158.35 154.06 22.9 Favored Pre-proline 0 N--CA 1.444 -0.74 0 O-C-N 118.677 -2.515 . . . . 0.0 110.868 -153.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -70.11 -24.36 28.18 Favored 'Trans proline' 0 N--CA 1.439 -1.728 0 C-N-CA 122.648 2.232 . . . . 0.0 115.398 -166.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -130.47 44.05 3.02 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 117.742 -3.099 . . . . 0.0 111.547 -174.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -126.48 5.37 6.89 Favored 'General case' 0 C--O 1.267 2.022 0 O-C-N 118.405 -2.684 . . . . 0.0 113.978 -163.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -62.69 -16.11 55.72 Favored 'General case' 0 C--N 1.38 1.904 0 CA-C-O 116.645 -1.645 . . . . 0.0 110.741 -168.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.417 ' H ' ' HG1' ' A' ' 67' ' ' THR . 34.6 p -56.56 -6.09 0.27 Allowed 'General case' 0 N--CA 1.535 3.822 0 CA-C-N 123.902 3.047 . . . . 0.0 119.153 166.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.332 1.8 pt? -161.58 -16.33 0.04 OUTLIER 'General case' 0 CA--C 1.47 -2.134 0 C-N-CA 127.387 2.275 . . . . 0.0 116.457 176.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.265 59.4 t30 55.8 33.15 20.93 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 121.382 1.901 . . . . 0.0 113.116 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -149.91 130.84 14.28 Favored 'General case' 0 CA--C 1.606 3.114 0 CA-C-O 122.365 1.079 . . . . 0.0 113.173 175.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 9.2 p -138.52 178.87 6.82 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 128.845 2.858 . . . . 0.0 106.795 168.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -139.35 160.11 40.59 Favored 'General case' 0 CA--C 1.589 2.467 1 C-N-CA 134.246 5.018 . . . . 0.0 109.73 175.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -135.87 144.5 45.63 Favored 'General case' 0 C--O 1.244 0.764 0 O-C-N 120.802 -1.186 . . . . 0.0 111.976 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.8 p -57.28 144.83 34.1 Favored 'General case' 0 CA--C 1.578 2.031 0 C-N-CA 127.622 2.369 . . . . 0.0 114.021 -167.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 80.2 mtt-85 -73.9 -15.82 61.13 Favored 'General case' 0 N--CA 1.51 2.57 0 C-N-CA 124.882 1.273 . . . . 0.0 114.003 -175.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -159.61 167.37 28.63 Favored 'General case' 0 CA--C 1.556 1.178 1 C-N-CA 132.189 4.196 . . . . 0.0 112.13 -175.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -81.15 152.99 27.5 Favored 'General case' 0 CA--C 1.487 -1.447 0 O-C-N 125.369 1.668 . . . . 0.0 109.902 177.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -121.16 153.41 58.01 Favored Pre-proline 0 CA--C 1.469 -2.16 0 CA-C-O 116.843 -1.551 . . . . 0.0 106.926 177.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -64.0 153.11 77.82 Favored 'Trans proline' 0 N--CA 1.42 -2.826 0 C-N-CA 121.369 1.379 . . . . 0.0 110.084 156.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 pp -150.47 179.51 8.09 Favored 'General case' 0 CA--C 1.571 1.782 0 C-N-CA 129.498 3.119 . . . . 0.0 116.131 175.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.2 tp -140.66 102.59 4.34 Favored 'General case' 0 C--N 1.308 -1.197 0 C-N-CA 125.913 1.685 . . . . 0.0 107.247 177.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -76.83 138.23 39.7 Favored 'General case' 0 CA--C 1.554 1.096 0 CA-C-O 125.543 2.592 . . . . 0.0 115.281 152.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 89.4 m -123.51 138.15 54.63 Favored 'General case' 0 C--O 1.277 2.517 0 CA-C-N 112.544 -2.116 . . . . 0.0 108.961 -176.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -132.3 128.06 36.94 Favored 'General case' 0 CA--C 1.575 1.924 0 C-N-CA 129.877 3.271 . . . . 0.0 114.813 -166.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.0 tp -80.28 119.48 23.08 Favored 'General case' 0 C--N 1.367 1.354 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 172.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.458 5.4 pt -64.24 -6.45 2.75 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.916 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 -164.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -144.8 106.46 4.59 Favored Pre-proline 0 CA--C 1.569 1.697 0 C-N-CA 128.142 2.577 . . . . 0.0 107.806 -178.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -42.74 -35.35 4.13 Favored 'Trans proline' 0 CA--C 1.578 2.71 0 N-CA-C 116.102 1.539 . . . . 0.0 116.102 164.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -76.0 -10.54 85.15 Favored Glycine 0 CA--C 1.563 3.048 0 N-CA-C 118.303 2.081 . . . . 0.0 118.303 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.01 144.35 40.93 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 117.813 2.523 . . . . 0.0 117.813 173.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -144.23 -32.63 0.42 Allowed 'General case' 0 N--CA 1.531 3.588 0 C-N-CA 117.159 -1.816 . . . . 0.0 110.859 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -92.09 130.21 37.87 Favored 'General case' 0 C--O 1.251 1.16 0 C-N-CA 127.668 2.387 . . . . 0.0 108.632 177.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.267 2.3 pp -56.57 -23.75 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 CA-C-O 116.08 -1.915 . . . . 0.0 114.92 171.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . 0.267 16.7 m -57.36 -8.71 0.83 Allowed 'General case' 0 N--CA 1.51 2.529 0 CA-C-O 117.067 -1.444 . . . . 0.0 114.529 167.379 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -134.53 -36.14 0.88 Allowed 'General case' 0 CA--C 1.578 2.04 0 N-CA-C 117.302 2.334 . . . . 0.0 117.302 -170.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 74.1 m -53.1 132.04 37.53 Favored 'General case' 0 C--N 1.289 -2.058 0 C-N-CA 130.528 3.531 . . . . 0.0 117.387 175.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -135.29 151.29 50.41 Favored 'General case' 0 N--CA 1.525 3.3 0 C-N-CA 128.7 2.8 . . . . 0.0 115.355 -178.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -142.34 148.19 37.53 Favored 'General case' 0 C--N 1.364 1.21 0 CA-C-N 122.977 2.626 . . . . 0.0 108.499 -150.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -146.8 157.57 43.7 Favored 'General case' 0 C--O 1.255 1.365 0 CA-C-O 124.335 2.017 . . . . 0.0 113.008 -177.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -91.18 138.13 31.83 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 129.925 3.29 . . . . 0.0 117.373 -172.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -142.08 72.08 22.94 Favored Pre-proline 0 N--CA 1.5 2.071 0 C-N-CA 124.76 1.224 . . . . 0.0 112.6 172.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -64.68 165.24 21.32 Favored 'Trans proline' 0 C--O 1.293 3.253 0 C-N-CA 124.511 3.474 . . . . 0.0 108.767 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -179.67 -168.26 38.22 Favored Glycine 0 C--O 1.278 2.882 0 O-C-N 118.96 -2.338 . . . . 0.0 112.342 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -153.92 129.48 9.96 Favored 'General case' 0 N--CA 1.437 -1.076 0 C-N-CA 126.346 1.859 . . . . 0.0 112.039 175.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 90.0 mtm-85 -166.43 155.21 10.84 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 130.108 3.363 . . . . 0.0 114.522 -162.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -66.86 176.01 2.22 Favored 'General case' 1 N--CA 1.541 4.088 0 CA-C-O 124.844 2.259 . . . . 0.0 111.191 161.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -156.67 162.91 39.81 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 118.091 -2.881 . . . . 0.0 112.552 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.2 t -132.14 117.93 34.77 Favored 'Isoleucine or valine' 0 C--N 1.368 1.381 0 C-N-CA 130.094 3.357 . . . . 0.0 109.334 -161.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 15.6 m -133.35 152.6 35.73 Favored 'Isoleucine or valine' 0 C--O 1.275 2.441 0 C-N-CA 127.91 2.484 . . . . 0.0 113.59 -172.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -103.58 167.07 10.03 Favored 'General case' 0 N--CA 1.434 -1.257 0 C-N-CA 126.811 2.044 . . . . 0.0 109.76 168.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 91.9 m -160.97 149.34 16.08 Favored 'General case' 0 N--CA 1.506 2.344 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.541 -159.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -155.75 169.91 23.27 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 104.809 -2.293 . . . . 0.0 104.809 -158.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -56.42 139.0 50.32 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-N 110.988 -2.824 . . . . 0.0 116.254 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -42.64 138.94 1.72 Allowed 'General case' 0 N--CA 1.504 2.239 0 C-N-CA 126.414 1.886 . . . . 0.0 111.689 167.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -49.72 147.14 6.57 Favored Pre-proline 0 C--N 1.284 -2.276 0 C-N-CA 128.418 2.687 . . . . 0.0 111.376 163.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -60.13 -19.75 58.06 Favored 'Trans proline' 0 N--CA 1.444 -1.41 0 C-N-CA 122.502 2.135 . . . . 0.0 116.798 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -135.34 -34.53 0.85 Allowed 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 113.082 -3.342 . . . . 0.0 109.881 178.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -75.94 141.16 42.34 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 123.395 2.816 . . . . 0.0 115.462 -170.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.0 m 37.36 58.68 4.18 Favored Pre-proline 0 C--O 1.275 2.421 0 N-CA-C 118.029 2.604 . . . . 0.0 118.029 -178.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -51.21 -29.63 29.96 Favored 'Trans proline' 0 N--CA 1.505 2.187 1 C-N-CA 126.431 4.754 . . . . 0.0 114.926 176.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -45.73 -26.78 0.69 Allowed 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 128.237 2.615 . . . . 0.0 115.831 175.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . 0.324 22.5 m-85 -113.02 89.13 13.18 Favored Pre-proline 0 CA--C 1.591 2.535 1 C-N-CA 131.973 4.109 . . . . 0.0 120.092 -170.5 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -48.36 -34.42 25.17 Favored 'Trans proline' 0 N--CA 1.509 2.408 0 CA-C-N 121.041 1.408 . . . . 0.0 114.274 -175.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 3.6 m -127.87 149.56 32.91 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.442 0 CA-C-O 114.767 -2.539 . . . . 0.0 112.554 177.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 27.5 m -126.45 143.23 45.43 Favored Pre-proline 0 N--CA 1.485 1.319 0 CA-C-N 122.672 2.487 . . . . 0.0 115.366 174.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -73.88 129.86 13.87 Favored 'Trans proline' 0 C--O 1.267 1.939 0 C-N-CA 124.314 3.343 . . . . 0.0 110.421 175.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 15.7 m -127.75 -16.91 2.63 Favored 'Isoleucine or valine' 0 C--O 1.177 -2.761 1 C-N-CA 133.651 4.78 . . . . 0.0 116.041 -171.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -146.92 157.08 43.54 Favored 'General case' 0 CA--C 1.592 2.593 0 CA-C-N 120.692 1.587 . . . . 0.0 111.759 173.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . 0.267 33.1 tp -140.21 129.32 23.61 Favored 'General case' 0 CA--C 1.576 1.943 0 C-N-CA 130.183 3.393 . . . . 0.0 110.051 -177.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -108.88 -39.65 5.26 Favored 'General case' 0 C--N 1.283 -2.315 0 CA-C-O 115.868 -2.015 . . . . 0.0 116.023 -176.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.6 t -153.27 166.96 30.92 Favored 'General case' 0 C--N 1.394 2.512 0 CA-C-O 128.431 3.967 . . . . 0.0 115.57 -178.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 44.0 p -126.41 140.15 52.71 Favored 'General case' 0 C--O 1.261 1.677 0 O-C-N 117.918 -2.989 . . . . 0.0 108.97 167.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.25 0.2 OUTLIER . . . . . 0 CA--C 1.558 1.288 0 O-C-N 127.332 2.895 . . . . 0.0 115.642 -172.069 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 203' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.5 ttt85 . . . . . 0 N--CA 1.507 2.381 0 CA-C-O 116.286 -1.816 . . . . 0.0 108.956 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -47.64 144.41 10.78 Favored 'Trans proline' 0 CA--C 1.581 2.85 1 C-N-CA 126.713 4.942 . . . . 0.0 109.219 -175.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -41.72 -28.67 0.72 Allowed 'Trans proline' 0 C--N 1.303 -1.863 0 C-N-CA 124.101 3.201 . . . . 0.0 118.83 -170.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -158.52 15.86 0.2 Allowed 'General case' 0 CA--C 1.547 0.839 1 N-CA-C 122.151 4.13 . . . . 0.0 122.151 -166.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.471 ' CZ ' HD13 ' A' ' 13' ' ' ILE . 32.2 m-85 -143.26 171.67 13.79 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 122.377 1.084 . . . . 0.0 108.746 178.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 p -62.07 157.12 19.69 Favored 'General case' 1 N--CA 1.571 5.6 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 158.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -66.28 -29.53 69.77 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 123.493 2.861 . . . . 0.0 113.164 177.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.07 -30.54 55.52 Favored 'General case' 0 C--N 1.383 2.033 0 C-N-CA 126.857 2.063 . . . . 0.0 110.574 175.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -68.38 -52.05 37.34 Favored 'General case' 0 N--CA 1.518 2.967 0 O-C-N 118.815 -2.428 . . . . 0.0 105.532 177.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 6.2 t-105 -49.65 -50.21 44.11 Favored 'General case' 0 CA--C 1.596 2.737 0 N-CA-C 116.329 1.974 . . . . 0.0 116.329 173.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -49.12 -49.17 43.27 Favored 'General case' 0 C--N 1.282 -2.328 0 CA-C-O 115.023 -2.417 . . . . 0.0 112.967 172.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.13 -60.75 2.89 Favored 'General case' 0 C--N 1.391 2.405 1 C-N-CA 131.977 4.111 . . . . 0.0 110.713 173.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.471 HD13 ' CZ ' ' A' ' 5' ' ' PHE . 18.8 mt -46.72 -32.54 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.513 2.691 0 CA-C-O 123.412 1.577 . . . . 0.0 115.185 -178.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -96.76 -22.76 16.77 Favored 'General case' 0 C--O 1.258 1.519 0 CA-C-O 115.04 -2.409 . . . . 0.0 111.82 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -144.48 -23.29 0.53 Allowed 'General case' 0 C--O 1.268 2.072 0 N-CA-C 118.121 2.637 . . . . 0.0 118.121 -164.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.1 mm -105.67 117.44 51.39 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.155 1 CA-C-N 126.096 4.044 . . . . 0.0 110.442 173.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.4 m -142.45 94.79 2.69 Favored 'General case' 0 C--N 1.343 0.284 0 N-CA-C 105.258 -2.127 . . . . 0.0 105.258 -171.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.4 tp -55.38 -34.68 64.54 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 124.75 2.214 . . . . 0.0 111.875 -176.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -153.58 79.94 5.26 Favored Pre-proline 0 CA--C 1.591 2.521 0 O-C-N 117.686 -3.134 . . . . 0.0 112.645 -168.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -68.02 161.74 42.93 Favored 'Trans proline' 0 N--CA 1.418 -2.96 0 O-C-N 125.277 2.198 . . . . 0.0 116.66 -158.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -86.0 169.3 8.96 Favored 'Trans proline' 0 N--CA 1.432 -2.101 1 C-N-CA 125.592 4.195 . . . . 0.0 111.155 160.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -55.94 146.06 23.29 Favored 'General case' 0 CA--C 1.581 2.157 0 O-C-N 118.751 -2.468 . . . . 0.0 112.823 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 6.8 m -54.62 -33.69 60.9 Favored 'General case' 0 CA--C 1.605 3.061 0 CA-C-N 121.315 1.871 . . . . 0.0 114.105 -176.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.1 p -51.08 -17.0 0.54 Allowed 'General case' 0 N--CA 1.537 3.923 1 C-N-CA 132.248 4.219 . . . . 0.0 114.844 166.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.9 mm -118.12 -40.59 2.33 Favored 'Isoleucine or valine' 0 C--O 1.248 1.021 0 O-C-N 127.624 3.077 . . . . 0.0 112.02 170.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.18 -45.7 75.78 Favored 'General case' 0 N--CA 1.505 2.278 0 CA-C-O 117.236 -1.364 . . . . 0.0 113.015 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 66.7 mmm -62.24 -25.25 67.72 Favored 'General case' 0 N--CA 1.442 -0.873 0 O-C-N 126.674 2.483 . . . . 0.0 115.99 176.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -66.35 -21.81 66.25 Favored 'General case' 0 N--CA 1.491 1.616 1 O-C-N 113.919 -5.488 . . . . 0.0 112.482 -171.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.51 -14.14 48.01 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 117.414 2.376 . . . . 0.0 117.414 170.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . 0.304 39.5 pt -126.26 -48.72 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 CA-C-N 113.929 -1.487 . . . . 0.0 114.782 169.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 -77.98 1.61 20.24 Favored 'General case' 0 N--CA 1.507 2.412 0 CA-C-O 114.196 -2.811 . . . . 0.0 111.177 -168.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -129.85 8.81 5.31 Favored 'General case' 0 CA--C 1.563 1.46 0 CA-C-O 124.943 2.306 . . . . 0.0 111.47 176.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.295 81.9 t80 -136.45 20.68 3.14 Favored 'General case' 0 N--CA 1.505 2.306 0 C-N-CA 126.621 1.968 . . . . 0.0 113.447 -173.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -158.42 148.91 20.18 Favored 'General case' 0 CA--C 1.493 -1.247 1 C-N-CA 132.446 4.298 . . . . 0.0 108.413 -170.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . 0.3 0.6 OUTLIER -61.44 -15.41 36.99 Favored 'General case' 0 CA--C 1.557 1.249 0 N-CA-C 118.025 2.602 . . . . 0.0 118.025 -172.234 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -139.71 160.25 40.32 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 125.146 2.403 . . . . 0.0 111.349 -177.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 33.6 m -66.59 125.03 24.49 Favored 'General case' 0 N--CA 1.515 2.799 0 O-C-N 118.552 -2.592 . . . . 0.0 111.204 158.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -84.59 149.24 26.0 Favored 'General case' 0 C--N 1.366 1.288 0 O-C-N 126.441 2.338 . . . . 0.0 108.506 168.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -78.03 -68.51 0.63 Allowed 'General case' 0 C--N 1.364 1.206 1 C-N-CA 131.792 4.037 . . . . 0.0 106.54 -163.286 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -115.47 148.83 38.98 Favored 'General case' 0 N--CA 1.519 2.992 0 C-N-CA 126.143 1.777 . . . . 0.0 114.057 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -156.42 165.88 35.05 Favored 'General case' 0 C--O 1.246 0.876 0 O-C-N 117.951 -2.968 . . . . 0.0 108.346 166.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 55.1 m -134.62 144.44 47.88 Favored 'General case' 0 CA--C 1.574 1.887 1 C-N-CA 132.635 4.374 . . . . 0.0 110.27 -175.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -145.49 134.97 23.19 Favored 'General case' 0 CA--C 1.61 3.279 0 C-N-CA 128.454 2.701 . . . . 0.0 104.401 -177.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 76.1 mt -119.23 133.74 55.59 Favored 'General case' 0 N--CA 1.532 3.638 0 CA-C-N 113.223 -1.808 . . . . 0.0 112.189 -162.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -89.56 85.58 6.53 Favored 'General case' 0 N--CA 1.508 2.462 0 N-CA-C 116.818 2.155 . . . . 0.0 116.818 -172.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.9 t -160.8 172.13 17.57 Favored 'General case' 0 N--CA 1.513 2.678 0 N-CA-C 104.837 -2.283 . . . . 0.0 104.837 -165.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.2 p -108.13 171.4 7.43 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 118.477 -2.639 . . . . 0.0 113.47 175.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -74.5 -39.07 62.66 Favored 'General case' 0 C--O 1.187 -2.23 0 CA-C-N 120.493 1.497 . . . . 0.0 109.79 -173.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.75 -7.85 1.13 Allowed 'General case' 0 C--N 1.357 0.933 0 N-CA-C 117.708 2.484 . . . . 0.0 117.708 169.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -95.69 -51.1 4.65 Favored 'General case' 0 C--O 1.201 -1.466 0 C-N-CA 128.549 2.739 . . . . 0.0 110.586 177.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . 0.38 1.4 t -58.66 -25.74 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.063 0 CA-C-O 124.075 1.893 . . . . 0.0 112.064 171.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 50.6 t -69.72 -47.97 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 O-C-N 117.672 -3.143 . . . . 0.0 112.517 175.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -63.12 -11.8 22.84 Favored 'General case' 0 CA--C 1.491 -1.311 0 CA-C-O 116.103 -1.903 . . . . 0.0 108.865 174.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 t -86.01 -29.88 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-N 121.848 2.113 . . . . 0.0 113.83 169.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 88.7 m -68.11 -29.53 68.48 Favored 'General case' 0 C--N 1.371 1.503 0 C-N-CA 114.882 -2.727 . . . . 0.0 109.93 164.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -76.71 -5.2 83.19 Favored Glycine 0 C--N 1.359 1.858 0 C-N-CA 128.472 2.939 . . . . 0.0 114.148 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -76.85 172.51 13.01 Favored 'General case' 0 N--CA 1.421 -1.879 0 C-N-CA 130.536 3.534 . . . . 0.0 114.546 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -55.5 146.15 20.97 Favored 'General case' 0 CA--C 1.566 1.563 0 CA-C-N 120.413 1.46 . . . . 0.0 111.15 175.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.8 m -92.09 126.4 37.15 Favored 'General case' 0 N--CA 1.517 2.901 0 O-C-N 126.578 2.424 . . . . 0.0 110.49 -174.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.433 HG13 ' SG ' ' A' ' 71' ' ' CYS . 29.7 pt -117.97 -174.26 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.252 1.186 0 CA-C-N 119.554 1.07 . . . . 0.0 110.976 169.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 -122.98 146.55 47.52 Favored 'General case' 0 N--CA 1.509 2.509 0 C-N-CA 127.83 2.452 . . . . 0.0 111.173 166.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 72.4 m -129.72 177.98 1.92 Allowed Pre-proline 0 CA--C 1.567 1.616 0 CA-C-N 110.382 -3.099 . . . . 0.0 110.012 -169.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . 0.269 54.0 Cg_endo -85.25 -7.87 8.91 Favored 'Trans proline' 0 CA--C 1.488 -1.814 0 C-N-CA 123.657 2.905 . . . . 0.0 116.934 -164.391 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . 0.339 2.2 m80 -140.21 31.38 1.95 Allowed 'General case' 0 CA--C 1.496 -1.108 0 C-N-CA 129.587 3.155 . . . . 0.0 113.032 -171.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -127.47 1.49 6.26 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 126.495 2.372 . . . . 0.0 112.26 -158.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -59.98 -32.33 70.74 Favored 'General case' 0 N--CA 1.519 3.011 0 CA-C-O 126.521 3.058 . . . . 0.0 114.46 -177.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . 0.374 63.8 p -56.0 -11.38 1.05 Allowed 'General case' 0 N--CA 1.514 2.738 0 O-C-N 118.047 -2.908 . . . . 0.0 113.023 169.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -148.33 -5.75 0.43 Allowed 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 122.527 2.421 . . . . 0.0 116.629 168.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.2 t30 55.62 28.05 11.41 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 116.899 2.185 . . . . 0.0 116.899 -176.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -153.06 115.74 4.5 Favored 'General case' 0 CA--C 1.591 2.549 0 O-C-N 117.458 -3.276 . . . . 0.0 105.568 -165.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.433 ' SG ' HG13 ' A' ' 60' ' ' ILE . 6.8 p -137.91 169.93 16.93 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 110.808 -2.905 . . . . 0.0 112.913 169.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -139.58 156.19 47.02 Favored 'General case' 0 C--N 1.373 1.592 0 O-C-N 120.848 -1.157 . . . . 0.0 108.195 -176.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -118.61 172.1 7.73 Favored 'General case' 0 C--O 1.272 2.237 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 172.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 85.2 p -65.21 162.17 17.76 Favored 'General case' 0 C--O 1.244 0.811 0 C-N-CA 128.839 2.856 . . . . 0.0 111.288 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -97.93 -9.13 26.75 Favored 'General case' 0 C--O 1.169 -3.162 0 C-N-CA 126.881 2.072 . . . . 0.0 107.74 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -163.87 176.49 9.42 Favored 'General case' 0 N--CA 1.439 -0.995 0 O-C-N 116.571 -3.831 . . . . 0.0 111.201 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 -82.76 163.18 21.43 Favored 'General case' 0 C--N 1.389 2.302 0 CA-C-O 121.482 0.658 . . . . 0.0 109.366 166.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.4 m -141.42 151.86 62.17 Favored Pre-proline 0 C--O 1.197 -1.702 0 C-N-CA 126.324 1.849 . . . . 0.0 109.946 168.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -64.98 155.08 70.15 Favored 'Trans proline' 0 CA--C 1.56 1.785 0 C-N-CA 121.714 1.609 . . . . 0.0 112.457 160.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.6 pp -155.41 177.47 11.32 Favored 'General case' 0 N--CA 1.421 -1.896 0 O-C-N 118.576 -2.578 . . . . 0.0 114.24 -172.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.2 tp -128.77 109.82 11.63 Favored 'General case' 0 CA--C 1.59 2.491 0 CA-C-N 120.603 1.547 . . . . 0.0 108.215 176.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -84.02 161.05 20.86 Favored 'General case' 0 N--CA 1.424 -1.727 0 CA-C-O 116.464 -1.732 . . . . 0.0 112.687 161.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 68.7 m -153.16 149.55 28.14 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 126.502 2.377 . . . . 0.0 115.467 -174.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -150.52 109.57 3.91 Favored 'General case' 0 C--O 1.257 1.452 0 O-C-N 126.145 2.153 . . . . 0.0 112.25 -145.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.1 tp -68.8 96.15 0.73 Allowed 'General case' 0 C--O 1.199 -1.593 0 O-C-N 126.176 2.172 . . . . 0.0 111.138 169.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.306 0.8 OUTLIER -57.25 -9.4 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.531 3.586 0 N-CA-C 117.126 2.269 . . . . 0.0 117.126 -174.273 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -138.75 86.13 16.08 Favored Pre-proline 0 CA--C 1.563 1.475 0 O-C-N 116.442 -3.911 . . . . 0.0 110.105 169.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -48.66 -25.78 8.46 Favored 'Trans proline' 0 CA--C 1.58 2.797 1 C-N-CA 126.849 5.032 . . . . 0.0 116.001 -168.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -70.17 -19.81 76.02 Favored Glycine 0 C--N 1.356 1.665 0 C-N-CA 127.036 2.255 . . . . 0.0 113.336 178.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.3 147.09 46.71 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 119.414 -2.227 . . . . 0.0 115.774 168.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -148.83 -17.66 0.31 Allowed 'General case' 0 C--N 1.384 2.086 0 C-N-CA 128.191 2.596 . . . . 0.0 114.62 -170.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -103.27 141.84 35.22 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 104.853 -2.277 . . . . 0.0 104.853 176.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 19.8 pt -65.02 -5.39 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.604 3.048 0 N-CA-C 117.365 2.357 . . . . 0.0 117.365 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.0 m -83.83 0.85 45.81 Favored 'General case' 0 C--O 1.265 1.905 0 CA-C-O 123.539 1.638 . . . . 0.0 110.163 176.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -152.45 -9.67 0.19 Allowed 'General case' 0 N--CA 1.516 2.854 0 O-C-N 119.436 -2.04 . . . . 0.0 113.861 -170.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 3.4 m -71.88 149.7 44.93 Favored 'General case' 0 N--CA 1.498 1.956 0 CA-C-N 120.117 1.326 . . . . 0.0 109.184 162.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -164.32 145.94 8.56 Favored 'General case' 0 CA--C 1.563 1.459 0 C-N-CA 130.227 3.411 . . . . 0.0 110.066 -169.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -136.72 169.48 17.66 Favored 'General case' 0 C--N 1.315 -0.919 0 O-C-N 128.673 3.733 . . . . 0.0 114.423 -165.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.57 134.06 6.82 Favored 'General case' 0 CA--C 1.486 -1.498 0 CA-C-N 113.614 -1.63 . . . . 0.0 111.878 -169.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -77.68 128.39 34.01 Favored 'General case' 0 C--N 1.271 -2.805 0 O-C-N 116.552 -3.842 . . . . 0.0 111.599 -164.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . 0.331 2.7 mpt_? -119.87 67.71 11.63 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 124.275 0.985 . . . . 0.0 110.45 174.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -54.96 139.91 79.37 Favored 'Trans proline' 0 N--CA 1.514 2.68 0 O-C-N 116.507 -2.417 . . . . 0.0 113.667 173.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -141.62 -168.96 11.76 Favored Glycine 0 CA--C 1.57 3.525 0 N-CA-C 115.202 0.841 . . . . 0.0 115.202 173.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 45.7 ttt180 -148.53 113.11 5.34 Favored 'General case' 0 CA--C 1.499 -1.012 0 C-N-CA 130.639 3.576 . . . . 0.0 109.661 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 90.7 mtm-85 -158.55 166.36 32.3 Favored 'General case' 0 C--O 1.267 1.977 0 O-C-N 124.703 1.252 . . . . 0.0 107.666 -172.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -81.46 167.78 19.01 Favored 'General case' 0 C--O 1.163 -3.498 0 CA-C-O 116.734 -1.603 . . . . 0.0 110.837 163.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -137.31 159.0 43.19 Favored 'General case' 0 CA--C 1.567 1.634 0 C-N-CA 128.761 2.824 . . . . 0.0 114.672 -176.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 42.0 t -141.76 119.42 8.29 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.375 0 O-C-N 128.271 3.482 . . . . 0.0 109.591 -170.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.0 m -148.32 -178.37 0.56 Allowed 'Isoleucine or valine' 0 C--O 1.171 -3.036 0 O-C-N 117.136 -3.477 . . . . 0.0 109.576 -154.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -155.1 153.71 31.28 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 127.906 2.482 . . . . 0.0 113.4 -172.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 99.1 m -133.48 165.56 24.6 Favored 'General case' 0 N--CA 1.405 -2.722 0 C-N-CA 126.21 1.804 . . . . 0.0 113.491 -157.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -146.25 168.51 20.88 Favored 'General case' 0 C--O 1.281 2.731 0 C-N-CA 127.787 2.435 . . . . 0.0 113.077 175.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -66.55 159.1 28.11 Favored 'General case' 0 C--O 1.208 -1.088 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -48.25 153.21 0.74 Allowed 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 126.558 3.075 . . . . 0.0 116.114 172.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -72.43 142.66 84.47 Favored Pre-proline 0 CA--C 1.554 1.109 0 CA-C-N 113.257 -1.792 . . . . 0.0 112.945 170.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_exo -61.44 -9.57 13.59 Favored 'Trans proline' 0 N--CA 1.506 2.221 1 C-N-CA 125.37 4.047 . . . . 0.0 115.144 -175.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -143.32 -26.96 0.57 Allowed 'General case' 0 C--N 1.399 2.742 0 C-N-CA 126.993 2.117 . . . . 0.0 114.438 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -103.25 146.84 27.83 Favored 'General case' 0 N--CA 1.525 3.314 0 CA-C-N 120.389 1.45 . . . . 0.0 111.501 -163.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.8 m 50.62 57.88 17.29 Favored Pre-proline 0 CA--C 1.549 0.918 0 N-CA-C 119.023 2.971 . . . . 0.0 119.023 -178.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -53.51 -17.54 9.65 Favored 'Trans proline' 0 C--N 1.29 -2.521 0 C-N-CA 124.224 3.283 . . . . 0.0 118.191 176.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -47.25 -23.91 0.63 Allowed 'General case' 0 N--CA 1.423 -1.803 0 C-N-CA 124.896 1.278 . . . . 0.0 113.343 171.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . 0.312 62.7 m-85 -138.9 139.53 24.07 Favored Pre-proline 0 CA--C 1.572 1.798 0 CA-C-N 121.405 1.911 . . . . 0.0 112.18 -159.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -80.26 -28.37 3.05 Favored 'Trans proline' 0 CA--C 1.565 2.034 0 C-N-CA 124.273 3.315 . . . . 0.0 113.273 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.6 m -132.19 159.17 43.29 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.075 0 C-N-CA 126.917 2.087 . . . . 0.0 108.657 -174.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 28.2 m -143.26 142.73 22.13 Favored Pre-proline 0 CA--C 1.564 1.513 0 O-C-N 126.364 2.29 . . . . 0.0 105.884 -173.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -73.19 145.85 39.77 Favored 'Trans proline' 0 CA--C 1.574 2.49 0 CA-C-N 122.33 1.868 . . . . 0.0 113.42 165.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.3 m -139.58 -20.16 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.511 2.59 0 O-C-N 119.934 -1.729 . . . . 0.0 111.884 -170.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.406 ' CD2' ' H ' ' A' ' 129' ' ' LEU . 4.0 t60 -148.81 169.91 19.41 Favored 'General case' 0 C--O 1.181 -2.537 1 O-C-N 115.38 -4.575 . . . . 0.0 110.865 179.668 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.406 ' H ' ' CD2' ' A' ' 128' ' ' HIS . 14.3 tp -145.77 124.62 12.67 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 115.393 -2.242 . . . . 0.0 110.919 -174.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -101.94 -35.02 9.14 Favored 'General case' 0 C--N 1.409 3.171 0 CA-C-N 121.742 2.065 . . . . 0.0 111.678 -171.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 12.2 t -167.24 168.34 13.45 Favored 'General case' 0 C--O 1.256 1.397 0 N-CA-C 115.762 1.764 . . . . 0.0 115.762 -171.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 51.5 p -141.44 152.72 44.5 Favored 'General case' 0 N--CA 1.512 2.655 0 C-N-CA 126.652 1.981 . . . . 0.0 110.917 159.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.355 0.814 0 C-N-CA 128.792 2.837 . . . . 0.0 108.36 -163.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 203' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 12.4 ttt85 . . . . . 0 CA--C 1.54 0.593 0 N-CA-C 117.478 2.399 . . . . 0.0 117.478 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -52.59 149.98 22.79 Favored 'Trans proline' 0 C--N 1.381 2.283 0 C-N-CA 124.137 3.225 . . . . 0.0 108.957 164.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -63.9 -18.36 63.55 Favored 'Trans proline' 0 CA--C 1.572 2.389 1 C-N-CA 127.368 5.379 . . . . 0.0 114.283 -171.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.308 10.9 pt20 -143.38 9.71 1.64 Allowed 'General case' 0 C--O 1.257 1.452 0 C-N-CA 126.272 1.829 . . . . 0.0 114.966 -168.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -144.77 168.19 20.8 Favored 'General case' 0 N--CA 1.52 3.072 0 C-N-CA 127.777 2.431 . . . . 0.0 113.162 -171.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.62 164.76 18.43 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 120.247 1.385 . . . . 0.0 112.297 150.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.262 7.2 tpt180 -55.23 -51.91 65.08 Favored 'General case' 0 N--CA 1.535 3.787 0 O-C-N 119.747 -1.845 . . . . 0.0 108.388 165.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.29 -26.58 47.11 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 115.698 -2.401 . . . . 0.0 111.809 -166.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -57.43 -46.08 83.95 Favored 'General case' 0 N--CA 1.515 2.791 0 C-N-CA 124.389 1.076 . . . . 0.0 108.745 167.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 38.0 t-105 -74.72 -32.31 62.11 Favored 'General case' 0 C--O 1.205 -1.255 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -171.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -53.12 -48.79 67.59 Favored 'General case' 0 C--N 1.372 1.554 0 N-CA-C 120.067 3.358 . . . . 0.0 120.067 161.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.92 -36.07 75.06 Favored 'General case' 0 N--CA 1.504 2.227 0 CA-C-O 124.153 1.93 . . . . 0.0 113.817 -175.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.4 mt -53.8 -30.54 19.23 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.726 0 N-CA-C 117.351 2.352 . . . . 0.0 117.351 163.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -102.91 -18.55 15.0 Favored 'General case' 0 CA--C 1.592 2.574 0 CA-C-O 114.31 -2.757 . . . . 0.0 107.583 -175.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -145.27 6.12 1.12 Allowed 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 114.135 -2.84 . . . . 0.0 114.691 -167.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.3 mm -143.89 115.66 2.64 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.974 1 CA-C-N 126.843 4.383 . . . . 0.0 110.04 -175.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . 0.277 4.4 t -154.08 108.07 2.99 Favored 'General case' 0 C--O 1.259 1.604 0 N-CA-C 116.031 1.863 . . . . 0.0 116.031 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.6 tp -61.21 -60.08 4.32 Favored 'General case' 0 C--N 1.4 2.762 1 O-C-N 131.353 5.408 . . . . 0.0 113.009 -174.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -117.86 81.25 15.28 Favored Pre-proline 0 N--CA 1.522 3.15 0 CA-C-O 123.569 1.652 . . . . 0.0 107.137 173.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -79.6 155.41 24.29 Favored 'Trans proline' 0 CA--C 1.552 1.392 1 C-N-CA 130.437 7.425 . . . . 0.0 110.129 -164.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -85.53 174.17 6.99 Favored 'Trans proline' 0 C--O 1.256 1.411 1 C-N-CA 125.329 4.019 . . . . 0.0 112.433 169.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.0 mmt-85 -58.15 153.22 15.34 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 121.84 0.829 . . . . 0.0 112.16 178.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.1 m -64.53 -19.95 65.92 Favored 'General case' 0 CA--C 1.487 -1.454 0 CA-C-N 114.441 -1.254 . . . . 0.0 113.971 -172.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.7 p -58.5 -38.83 78.47 Favored 'General case' 0 C--N 1.31 -1.13 0 C-N-CA 125.252 1.421 . . . . 0.0 113.373 164.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.4 mm -88.25 -34.01 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 124.493 1.117 . . . . 0.0 109.297 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.65 -49.21 74.1 Favored 'General case' 0 C--N 1.378 1.826 0 O-C-N 118.733 -2.479 . . . . 0.0 107.113 -174.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 87.7 mmm -70.02 -21.93 63.16 Favored 'General case' 0 C--O 1.29 3.233 0 C-N-CA 125.892 1.677 . . . . 0.0 109.694 -165.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -57.24 -32.68 66.79 Favored 'General case' 0 N--CA 1.524 3.253 0 CA-C-O 112.516 -3.611 . . . . 0.0 112.983 170.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.22 -31.69 0.14 Allowed 'General case' 0 CA--C 1.491 -1.289 0 CA-C-N 123.725 2.966 . . . . 0.0 117.812 168.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.5 pt -121.73 -49.03 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.611 3.3 0 O-C-N 124.459 1.099 . . . . 0.0 110.04 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -71.47 -17.75 62.34 Favored 'General case' 0 C--N 1.389 2.306 0 O-C-N 119.315 -2.116 . . . . 0.0 114.829 -172.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.289 2.0 m-20 -97.41 19.33 13.46 Favored 'General case' 0 C--N 1.277 -2.57 0 O-C-N 124.695 1.247 . . . . 0.0 111.847 167.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -142.37 -5.21 0.97 Allowed 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 124.316 1.047 . . . . 0.0 113.279 -172.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -136.11 160.31 39.04 Favored 'General case' 0 CA--C 1.573 1.864 0 O-C-N 117.223 -3.423 . . . . 0.0 112.671 -177.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -60.61 -24.32 65.41 Favored 'General case' 0 C--O 1.174 -2.88 0 N-CA-C 120.122 3.378 . . . . 0.0 120.122 -170.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -143.88 159.34 42.71 Favored 'General case' 0 CA--C 1.603 3.005 0 O-C-N 127.135 2.772 . . . . 0.0 111.75 172.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.1 m -60.48 104.56 0.34 Allowed 'General case' 0 CA--C 1.583 2.24 0 O-C-N 128.947 3.905 . . . . 0.0 114.809 169.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -52.49 126.0 18.05 Favored 'General case' 0 C--N 1.289 -2.028 0 CA-C-O 117.226 -1.369 . . . . 0.0 110.287 156.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -52.28 -49.39 64.23 Favored 'General case' 0 C--O 1.266 1.933 0 C-N-CA 128.895 2.878 . . . . 0.0 115.281 -178.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -149.11 158.29 44.07 Favored 'General case' 0 CA--C 1.587 2.404 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 -163.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -157.14 148.86 22.39 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 127.115 2.166 . . . . 0.0 113.879 173.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 46.6 m -113.07 146.54 38.97 Favored 'General case' 0 C--N 1.29 -2.018 0 C-N-CA 126.832 2.053 . . . . 0.0 114.102 170.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -138.47 138.4 38.07 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 127.265 2.853 . . . . 0.0 111.113 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.0 mt -113.77 132.26 55.91 Favored 'General case' 0 N--CA 1.436 -1.134 0 O-C-N 120.035 -1.666 . . . . 0.0 109.053 -168.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -90.17 60.56 4.84 Favored 'General case' 0 N--CA 1.518 2.951 0 C-N-CA 124.832 1.253 . . . . 0.0 113.128 -177.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.3 t -139.94 -157.5 0.77 Allowed 'General case' 0 N--CA 1.502 2.14 0 C-N-CA 125.544 1.538 . . . . 0.0 109.615 -162.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.0 p -135.52 150.45 49.76 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 120.784 1.629 . . . . 0.0 111.543 175.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -49.17 -45.91 44.68 Favored 'General case' 0 CA--C 1.576 1.964 0 CA-C-N 113.222 -1.808 . . . . 0.0 112.16 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.28 -45.53 34.78 Favored 'General case' 0 N--CA 1.508 2.458 0 N-CA-C 117.862 2.541 . . . . 0.0 117.862 176.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -62.71 -47.83 81.9 Favored 'General case' 0 N--CA 1.423 -1.794 0 C-N-CA 125.219 1.408 . . . . 0.0 112.9 171.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.1 t -57.1 -34.68 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 CA-C-O 117.554 -1.213 . . . . 0.0 113.875 174.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.7 t -76.31 -34.34 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.764 0 CA-C-N 123.3 2.773 . . . . 0.0 107.307 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -65.95 -30.92 71.57 Favored 'General case' 0 C--O 1.259 1.555 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 177.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 70.0 t -72.65 -36.14 52.46 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.353 0 C-N-CA 128.17 2.588 . . . . 0.0 110.722 170.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.4 m -47.06 -26.12 0.99 Allowed 'General case' 0 N--CA 1.496 1.866 2 O-C-N 113.578 -5.701 . . . . 0.0 113.595 158.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -99.08 10.48 61.89 Favored Glycine 1 CA--C 1.592 4.87 0 O-C-N 123.751 0.657 . . . . 0.0 112.483 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -90.06 170.71 10.11 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 124.222 1.963 . . . . 0.0 115.486 167.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . 0.283 16.1 mt-30 -31.09 124.36 0.21 Allowed 'General case' 0 C--N 1.302 -1.495 0 O-C-N 119.38 -2.075 . . . . 0.0 112.963 177.271 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.2 m -92.09 120.46 32.72 Favored 'General case' 0 N--CA 1.506 2.342 0 CA-C-O 112.724 -3.512 . . . . 0.0 111.727 -174.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.8 pt -134.24 166.46 28.7 Favored 'Isoleucine or valine' 0 C--O 1.281 2.755 0 CA-C-N 122.003 2.183 . . . . 0.0 109.822 -168.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.6 ptt85 -87.26 160.68 18.35 Favored 'General case' 0 CA--C 1.586 2.361 0 CA-C-N 121.552 1.978 . . . . 0.0 112.895 162.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.7 m -132.77 150.73 76.54 Favored Pre-proline 0 C--O 1.253 1.266 0 O-C-N 125.212 1.57 . . . . 0.0 113.268 174.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -47.06 -20.69 1.31 Allowed 'Trans proline' 0 CA--C 1.555 1.549 1 C-N-CA 125.983 4.456 . . . . 0.0 117.195 -176.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -133.57 68.1 1.5 Allowed 'General case' 1 N--CA 1.551 4.592 0 CA-C-N 121.58 1.991 . . . . 0.0 110.777 172.853 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -146.1 -7.0 0.56 Allowed 'General case' 0 C--O 1.28 2.676 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 -160.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -60.22 -3.18 0.56 Allowed 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 120.228 3.418 . . . . 0.0 120.228 -169.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.0 p -63.84 -46.03 86.89 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-N 121.541 1.973 . . . . 0.0 112.095 167.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.3 1.7 pt? -122.75 -9.01 8.4 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 118.455 2.761 . . . . 0.0 118.455 -173.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.9 t30 48.65 33.14 3.95 Favored 'General case' 0 CA--C 1.613 3.378 0 C-N-CA 128.876 2.87 . . . . 0.0 112.917 171.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -146.81 111.08 5.12 Favored 'General case' 0 C--O 1.267 2.001 0 CA-C-N 111.763 -2.471 . . . . 0.0 106.677 -171.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.4 p -134.94 172.34 13.13 Favored 'General case' 0 C--O 1.18 -2.564 0 CA-C-N 112.248 -2.251 . . . . 0.0 109.303 171.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -146.57 152.59 39.18 Favored 'General case' 0 CA--C 1.568 1.665 0 C-N-CA 128.718 2.807 . . . . 0.0 110.29 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 46.8 ptt85 -122.83 154.95 37.57 Favored 'General case' 0 C--N 1.378 1.845 0 O-C-N 126.118 2.136 . . . . 0.0 114.755 169.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.1 p -72.81 129.92 39.29 Favored 'General case' 0 C--N 1.366 1.315 0 O-C-N 118.162 -2.836 . . . . 0.0 111.73 -166.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.1 mtt-85 -47.61 -20.11 0.24 Allowed 'General case' 0 N--CA 1.509 2.486 0 N-CA-C 117.498 2.407 . . . . 0.0 117.498 173.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -158.84 150.91 21.2 Favored 'General case' 0 C--N 1.383 2.028 0 O-C-N 126.528 2.393 . . . . 0.0 105.116 -171.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -60.26 158.99 10.56 Favored 'General case' 0 C--N 1.382 2.019 0 CA-C-N 113.341 -1.754 . . . . 0.0 111.878 171.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.8 m -140.34 156.27 69.81 Favored Pre-proline 0 N--CA 1.436 -1.165 0 C-N-CA 129.524 3.13 . . . . 0.0 108.233 175.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -73.01 155.1 52.96 Favored 'Trans proline' 0 C--O 1.277 2.444 0 C-N-CA 117.15 -1.433 . . . . 0.0 112.125 172.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 pp -156.49 174.09 15.94 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-O 117.834 -1.079 . . . . 0.0 109.161 -176.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . 0.25 58.9 tp -143.25 138.14 29.4 Favored 'General case' 0 CA--C 1.482 -1.657 1 C-N-CA 131.711 4.005 . . . . 0.0 110.427 -178.83 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -127.57 141.64 51.59 Favored 'General case' 0 N--CA 1.418 -2.057 0 C-N-CA 127.169 2.187 . . . . 0.0 114.042 176.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 76.5 m -119.03 155.13 31.97 Favored 'General case' 0 C--O 1.201 -1.479 0 CA-C-O 126.452 3.025 . . . . 0.0 112.237 -175.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -148.22 116.62 6.56 Favored 'General case' 0 C--N 1.297 -1.676 1 O-C-N 115.668 -4.395 . . . . 0.0 114.158 -166.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 27.1 tp -63.39 86.88 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 128.06 2.544 . . . . 0.0 111.276 176.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.6 pt -48.78 -22.8 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.577 2.001 0 O-C-N 117.351 -3.343 . . . . 0.0 116.68 -169.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -137.55 109.44 8.7 Favored Pre-proline 0 C--O 1.169 -3.134 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 157.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -60.22 -2.64 1.9 Allowed 'Trans proline' 0 CA--C 1.582 2.886 0 C-N-CA 124.683 3.589 . . . . 0.0 116.279 168.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.31 -19.64 66.6 Favored Glycine 0 CA--C 1.558 2.776 0 N-CA-C 117.386 1.714 . . . . 0.0 117.386 167.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -81.93 153.35 26.34 Favored 'General case' 0 CA--C 1.591 2.53 0 N-CA-C 120.441 3.497 . . . . 0.0 120.441 163.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -138.11 -3.37 1.78 Allowed 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 124.46 1.104 . . . . 0.0 113.335 -176.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -138.87 148.89 44.24 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.289 1.836 . . . . 0.0 112.458 -173.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.5 pt -74.61 -3.93 5.17 Favored 'Isoleucine or valine' 0 CA--C 1.616 3.503 0 CA-C-N 111.566 -2.561 . . . . 0.0 113.89 -171.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . 0.265 1.7 m -75.76 -12.9 60.27 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 120.646 1.566 . . . . 0.0 113.372 159.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -137.52 -8.03 1.7 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 116.655 -3.778 . . . . 0.0 119.897 175.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 99.2 m -65.93 145.05 56.37 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.366 -0.834 . . . . 0.0 108.756 174.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -149.38 152.47 35.82 Favored 'General case' 0 N--CA 1.518 2.94 0 C-N-CA 126.662 1.985 . . . . 0.0 111.016 -177.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -147.05 153.58 40.16 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 118.721 -2.487 . . . . 0.0 113.242 -172.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.59 164.99 25.43 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 122.147 0.975 . . . . 0.0 109.941 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -107.47 124.91 50.58 Favored 'General case' 0 CA--C 1.493 -1.229 0 C-N-CA 127.79 2.436 . . . . 0.0 113.596 -156.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.73 82.03 64.47 Favored Pre-proline 0 CA--C 1.556 1.181 0 O-C-N 118.541 -2.599 . . . . 0.0 107.577 -176.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -45.94 169.63 0.04 OUTLIER 'Trans proline' 0 C--N 1.408 3.71 0 CA-C-O 126.041 2.434 . . . . 0.0 113.946 164.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 174.92 177.31 43.93 Favored Glycine 0 CA--C 1.467 -2.964 0 CA-C-N 110.42 -3.082 . . . . 0.0 107.63 173.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -159.29 103.03 1.61 Allowed 'General case' 0 C--O 1.263 1.804 0 C-N-CA 130.127 3.371 . . . . 0.0 111.535 -173.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 43.4 mtm-85 -150.02 172.14 15.72 Favored 'General case' 0 CA--C 1.571 1.776 0 C-N-CA 129.619 3.168 . . . . 0.0 112.356 -161.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -71.78 175.94 5.32 Favored 'General case' 0 CA--C 1.593 2.603 0 CA-C-N 122.344 2.338 . . . . 0.0 108.853 159.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -135.05 158.02 45.42 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 112.887 -1.96 . . . . 0.0 111.886 168.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.0 t -129.65 113.24 26.68 Favored 'Isoleucine or valine' 0 C--O 1.253 1.254 0 CA-C-N 118.603 0.638 . . . . 0.0 111.031 -174.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 16.8 m -134.02 164.4 34.62 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 O-C-N 120.283 -1.511 . . . . 0.0 114.988 -160.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -112.33 151.94 29.14 Favored 'General case' 0 C--O 1.246 0.898 0 C-N-CA 125.237 1.415 . . . . 0.0 112.32 173.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 63.5 m -137.23 157.68 46.12 Favored 'General case' 0 N--CA 1.512 2.655 0 C-N-CA 128.323 2.649 . . . . 0.0 110.425 -172.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -152.4 171.59 17.8 Favored 'General case' 0 CA--C 1.59 2.481 0 C-N-CA 128.144 2.578 . . . . 0.0 108.816 -165.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -61.65 145.75 51.25 Favored 'General case' 0 N--CA 1.405 -2.687 0 O-C-N 128.236 3.46 . . . . 0.0 108.136 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -57.28 145.38 32.17 Favored 'General case' 0 N--CA 1.532 3.629 0 C-N-CA 128.621 2.768 . . . . 0.0 112.511 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.56 148.85 85.68 Favored Pre-proline 0 C--N 1.359 1.001 0 CA-C-O 124.144 1.926 . . . . 0.0 109.841 166.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -51.8 -25.26 20.53 Favored 'Trans proline' 0 C--N 1.403 3.426 0 C-N-CA 124.945 3.763 . . . . 0.0 115.533 172.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 53.3 mtt85 -147.81 -27.8 0.35 Allowed 'General case' 0 C--O 1.204 -1.313 0 CA-C-O 114.812 -2.518 . . . . 0.0 109.828 -164.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -83.01 144.8 29.71 Favored 'General case' 0 CA--C 1.564 1.485 0 CA-C-N 123.531 2.878 . . . . 0.0 117.481 173.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 42.6 m 48.91 57.89 18.13 Favored Pre-proline 0 C--N 1.306 -1.309 0 C-N-CA 131.441 3.897 . . . . 0.0 114.91 169.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -53.59 -11.52 2.2 Favored 'Trans proline' 0 C--N 1.394 2.945 0 N-CA-C 118.369 2.411 . . . . 0.0 118.369 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -53.69 -21.68 7.5 Favored 'General case' 0 C--O 1.256 1.432 0 O-C-N 117.573 -3.205 . . . . 0.0 110.991 176.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -127.66 133.36 25.01 Favored Pre-proline 1 N--CA 1.543 4.177 0 C-N-CA 125.933 1.693 . . . . 0.0 114.558 -166.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -69.45 -33.67 17.26 Favored 'Trans proline' 0 C--N 1.373 1.84 0 C-N-CA 124.056 3.171 . . . . 0.0 115.294 173.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 31.6 m -147.17 152.4 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 C-N-CA 128.032 2.533 . . . . 0.0 104.236 -170.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 18.8 m -132.69 138.38 31.87 Favored Pre-proline 0 CA--C 1.586 2.337 0 C-N-CA 128.157 2.583 . . . . 0.0 109.729 -171.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -60.71 148.73 90.75 Favored 'Trans proline' 0 C--O 1.257 1.451 1 C-N-CA 127.897 5.731 . . . . 0.0 106.483 166.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 34.3 m -148.42 -4.59 0.1 Allowed 'Isoleucine or valine' 1 N--CA 1.546 4.336 0 CA-C-O 115.927 -1.987 . . . . 0.0 113.213 -173.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -163.02 157.97 21.55 Favored 'General case' 0 C--O 1.283 2.833 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 52.1 tp -129.09 147.42 50.95 Favored 'General case' 0 N--CA 1.518 2.944 0 N-CA-C 105.214 -2.143 . . . . 0.0 105.214 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -123.35 -47.58 1.99 Allowed 'General case' 0 CA--C 1.594 2.655 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . 0.296 13.9 t -149.76 172.01 15.79 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-O 124.612 2.148 . . . . 0.0 107.182 176.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 70.3 p -142.79 140.1 31.23 Favored 'General case' 0 CA--C 1.577 2.009 0 N-CA-C 106.322 -1.732 . . . . 0.0 106.322 168.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.383 0.2 OUTLIER . . . . . 0 C--O 1.253 1.24 0 O-C-N 126.35 2.281 . . . . 0.0 113.548 -169.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' LVZ . . . . . 0.416 HO39 ' C5 ' ' A' ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' IDS . . . . . 0.416 ' C5 ' HO39 ' A' ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 203' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.4 ttt85 . . . . . 0 N--CA 1.502 2.136 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -54.12 146.27 49.69 Favored 'Trans proline' 0 C--O 1.268 1.989 0 C-N-CA 122.867 2.378 . . . . 0.0 110.315 178.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -57.17 -24.85 61.05 Favored 'Trans proline' 0 CA--C 1.485 -1.927 0 N-CA-C 117.178 1.953 . . . . 0.0 117.178 -162.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -134.62 -1.15 2.82 Favored 'General case' 0 CA--C 1.61 3.281 0 N-CA-C 115.275 1.584 . . . . 0.0 115.275 -174.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -135.53 170.65 15.62 Favored 'General case' 0 CA--C 1.613 3.373 0 CA-C-N 120.811 1.641 . . . . 0.0 109.056 -173.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.7 p -77.4 163.81 26.05 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 126.152 2.158 . . . . 0.0 111.529 157.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -56.28 -43.66 79.05 Favored 'General case' 0 C--O 1.178 -2.679 0 O-C-N 127.107 2.754 . . . . 0.0 108.913 172.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.62 -38.25 77.15 Favored 'General case' 0 N--CA 1.5 2.047 1 O-C-N 129.753 4.408 . . . . 0.0 112.872 -178.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -62.29 -52.07 65.18 Favored 'General case' 0 C--N 1.37 1.466 0 CA-C-O 126.794 3.188 . . . . 0.0 111.032 170.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -55.42 -35.69 65.67 Favored 'General case' 0 C--O 1.265 1.887 0 O-C-N 117.318 -3.364 . . . . 0.0 117.342 176.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -51.43 -49.9 60.78 Favored 'General case' 0 C--N 1.272 -2.791 0 C-N-CA 128.028 2.531 . . . . 0.0 109.879 160.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.31 -33.36 67.31 Favored 'General case' 0 N--CA 1.518 2.939 0 CA-C-N 120.08 1.309 . . . . 0.0 112.196 -175.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.3 mt -79.37 -24.93 12.54 Favored 'Isoleucine or valine' 0 C--O 1.276 2.452 0 CA-C-O 112.489 -3.625 . . . . 0.0 108.943 173.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -80.55 -20.4 43.51 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 123.12 2.691 . . . . 0.0 112.119 172.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -149.58 -1.29 0.45 Allowed 'General case' 0 CA--C 1.604 3.025 1 N-CA-C 125.727 5.455 . . . . 0.0 125.727 -161.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.4 mm -120.11 133.98 65.09 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.967 0 C-N-CA 127.915 2.486 . . . . 0.0 106.259 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.2 t -150.66 179.24 8.35 Favored 'General case' 0 N--CA 1.522 3.165 0 CA-C-N 112.719 -2.037 . . . . 0.0 111.105 175.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.6 tp -145.8 -27.42 0.44 Allowed 'General case' 0 C--O 1.197 -1.667 0 O-C-N 117.435 -3.29 . . . . 0.0 112.56 166.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -127.56 58.13 29.5 Favored Pre-proline 0 N--CA 1.485 1.289 0 CA-C-O 114.704 -2.57 . . . . 0.0 111.367 171.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -67.16 156.23 67.2 Favored 'Trans proline' 0 CA--C 1.581 2.836 0 CA-C-N 125.766 3.095 . . . . 0.0 110.395 -163.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -70.47 178.04 5.43 Favored 'Trans proline' 0 C--N 1.369 1.618 0 CA-C-N 120.948 1.374 . . . . 0.0 115.57 169.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 60.0 mmt-85 -40.27 148.99 0.08 Allowed 'General case' 0 C--N 1.309 -1.162 0 CA-C-O 116.594 -1.67 . . . . 0.0 114.35 146.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 80.4 m -69.3 -16.38 63.54 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 127.234 2.214 . . . . 0.0 110.002 178.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.1 p -58.33 -29.75 66.17 Favored 'General case' 0 CA--C 1.566 1.562 1 C-N-CA 132.634 4.374 . . . . 0.0 109.02 169.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 32.5 mm -116.9 -41.67 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.656 0 C-N-CA 128.776 2.83 . . . . 0.0 108.919 -179.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.3 -23.5 5.9 Favored 'General case' 0 N--CA 1.52 3.057 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 88.6 mmm -87.03 -26.05 23.93 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 173.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -59.93 -29.53 68.45 Favored 'General case' 0 CA--C 1.557 1.248 0 O-C-N 119.555 -1.965 . . . . 0.0 114.33 -176.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -42.38 -31.89 0.46 Allowed 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.767 2.027 . . . . 0.0 115.394 166.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.1 pt -114.84 -40.17 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.939 0 C-N-CA 125.302 1.441 . . . . 0.0 111.71 173.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -84.07 -14.52 50.27 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 116.753 -1.594 . . . . 0.0 112.327 -161.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -98.53 -11.3 22.37 Favored 'General case' 0 C--O 1.271 2.217 0 CA-C-O 125.283 2.468 . . . . 0.0 114.258 169.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -100.52 -6.42 25.47 Favored 'General case' 0 C--O 1.278 2.589 1 C-N-CA 132.313 4.245 . . . . 0.0 108.922 -168.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -140.39 162.5 35.16 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 128.173 3.421 . . . . 0.0 114.173 -170.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.8 p-90 -71.32 -27.09 63.15 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-O 113.747 -3.025 . . . . 0.0 115.203 -164.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -135.37 175.92 9.15 Favored 'General case' 0 C--O 1.267 2.014 0 CA-C-N 123.32 2.782 . . . . 0.0 111.276 163.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.2 m -78.43 119.46 21.78 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -67.99 149.14 50.1 Favored 'General case' 0 C--O 1.243 0.76 0 C-N-CA 127.07 2.148 . . . . 0.0 112.396 170.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 62.9 t-20 -75.88 -50.06 16.15 Favored 'General case' 0 CA--C 1.592 2.572 0 O-C-N 125.831 1.957 . . . . 0.0 113.659 -168.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -135.96 155.82 49.68 Favored 'General case' 0 N--CA 1.396 -3.135 0 O-C-N 120.146 -1.596 . . . . 0.0 112.468 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -146.73 173.8 12.04 Favored 'General case' 0 C--O 1.259 1.582 0 O-C-N 117.902 -2.999 . . . . 0.0 108.537 161.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.6 m -133.75 133.3 41.57 Favored 'General case' 0 N--CA 1.51 2.569 0 O-C-N 128.236 3.46 . . . . 0.0 113.455 171.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -122.3 97.42 5.46 Favored 'General case' 0 CA--C 1.577 1.983 1 C-N-CA 132.034 4.133 . . . . 0.0 110.424 178.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.6 mt -59.65 135.29 57.63 Favored 'General case' 0 C--O 1.25 1.124 0 C-N-CA 125.95 1.7 . . . . 0.0 113.147 170.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -93.55 75.38 4.41 Favored 'General case' 0 N--CA 1.517 2.887 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 170.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -149.98 171.65 16.49 Favored 'General case' 0 N--CA 1.512 2.633 0 C-N-CA 124.277 1.031 . . . . 0.0 110.679 171.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.4 p -78.84 145.78 34.06 Favored 'General case' 0 CA--C 1.487 -1.476 0 C-N-CA 125.655 1.582 . . . . 0.0 112.037 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . 0.259 48.2 t80 -57.42 -34.62 69.1 Favored 'General case' 0 CA--C 1.584 2.269 0 O-C-N 118.245 -2.784 . . . . 0.0 111.603 170.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.99 -32.12 72.56 Favored 'General case' 0 C--O 1.264 1.851 0 N-CA-C 118.148 2.647 . . . . 0.0 118.148 174.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -68.25 -53.56 23.78 Favored 'General case' 0 CA--C 1.601 2.904 0 O-C-N 119.559 -1.963 . . . . 0.0 112.822 168.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.7 t -53.53 -38.56 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 C-N-CA 124.587 1.155 . . . . 0.0 110.58 175.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.3 t -71.3 -37.7 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 CA-C-O 123.221 1.486 . . . . 0.0 113.202 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -59.4 -31.26 69.08 Favored 'General case' 0 CA--C 1.589 2.462 0 O-C-N 118.257 -2.777 . . . . 0.0 116.859 161.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.9 t -76.65 -19.37 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 CA-C-O 116.271 -1.823 . . . . 0.0 111.03 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 81.3 m -62.06 -15.12 42.43 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 163.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -108.39 18.02 33.36 Favored Glycine 0 C--N 1.371 2.509 0 O-C-N 119.725 -1.859 . . . . 0.0 112.859 175.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -79.36 171.41 15.21 Favored 'General case' 0 C--N 1.312 -1.046 0 O-C-N 118.597 -2.708 . . . . 0.0 108.365 172.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -30.59 127.15 0.15 Allowed 'General case' 0 C--N 1.385 2.146 0 O-C-N 117.252 -3.405 . . . . 0.0 112.199 170.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.0 m -93.61 72.37 4.31 Favored 'General case' 0 CA--C 1.602 2.97 0 CA-C-O 128.417 3.961 . . . . 0.0 107.318 -173.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 32.7 pt -72.68 -178.42 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 C-N-CA 129.293 3.037 . . . . 0.0 113.595 174.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.4 ptt85 -137.68 148.36 45.63 Favored 'General case' 0 N--CA 1.5 2.062 0 CA-C-O 117.093 -1.432 . . . . 0.0 113.278 -174.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . 0.257 81.8 m -136.18 165.78 33.05 Favored Pre-proline 0 C--N 1.282 -2.326 0 CA-C-N 119.268 0.94 . . . . 0.0 109.466 -169.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -63.47 -17.14 58.66 Favored 'Trans proline' 0 C--O 1.2 -1.392 0 N-CA-C 117.683 2.147 . . . . 0.0 117.683 -176.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -124.28 46.33 2.31 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.341 -1.474 . . . . 0.0 114.902 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -149.29 3.36 0.58 Allowed 'General case' 0 C--O 1.275 2.404 0 C-N-CA 128.398 2.679 . . . . 0.0 114.3 -162.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.5 ptt-85 -48.49 -27.14 2.51 Favored 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 116.644 2.09 . . . . 0.0 116.644 177.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.2 p -72.28 -21.33 61.37 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 117.197 -1.382 . . . . 0.0 111.968 -172.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -127.89 -22.77 3.47 Favored 'General case' 0 C--O 1.197 -1.674 0 N-CA-C 118.025 2.602 . . . . 0.0 118.025 163.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 43.2 t30 64.42 35.87 9.31 Favored 'General case' 0 C--O 1.207 -1.184 0 C-N-CA 126.27 1.828 . . . . 0.0 108.833 170.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -137.28 115.54 11.76 Favored 'General case' 0 N--CA 1.489 1.49 1 C-N-CA 131.994 4.118 . . . . 0.0 109.934 173.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 32.1 p -147.48 171.16 15.96 Favored 'General case' 0 N--CA 1.533 3.68 0 C-N-CA 131.471 3.908 . . . . 0.0 108.163 173.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -148.08 149.08 31.41 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 118.536 -2.602 . . . . 0.0 108.533 -174.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -111.92 169.71 8.65 Favored 'General case' 0 CA--C 1.571 1.777 0 O-C-N 119.835 -1.791 . . . . 0.0 111.421 159.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.4 p -71.97 174.94 6.33 Favored 'General case' 0 C--N 1.377 1.776 0 O-C-N 127.74 3.15 . . . . 0.0 107.202 -162.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -97.03 -35.39 10.85 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 127.775 2.43 . . . . 0.0 115.968 170.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -148.2 153.18 38.43 Favored 'General case' 0 CA--C 1.611 3.304 0 C-N-CA 127.237 2.215 . . . . 0.0 105.241 -169.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 31.0 mtm180 -78.57 150.4 32.81 Favored 'General case' 0 C--N 1.38 1.903 0 CA-C-O 123.842 1.782 . . . . 0.0 114.178 173.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.1 m -130.6 158.54 74.39 Favored Pre-proline 0 N--CA 1.51 2.527 0 CA-C-N 110.052 -3.249 . . . . 0.0 110.226 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.61 159.68 45.49 Favored 'Trans proline' 0 C--O 1.269 2.067 0 O-C-N 124.506 1.793 . . . . 0.0 110.95 171.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 pp -156.4 170.03 23.24 Favored 'General case' 0 C--N 1.279 -2.474 0 O-C-N 119.629 -1.919 . . . . 0.0 110.754 177.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.0 tp -114.03 126.45 55.14 Favored 'General case' 0 C--O 1.265 1.879 0 N-CA-C 118.041 2.608 . . . . 0.0 118.041 161.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -105.24 145.34 30.79 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 127.1 2.16 . . . . 0.0 111.42 165.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 95.8 m -134.92 150.07 50.35 Favored 'General case' 0 C--N 1.368 1.393 0 CA-C-O 116.425 -1.75 . . . . 0.0 113.064 -173.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -152.48 100.87 2.61 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 124.618 3.372 . . . . 0.0 108.37 -143.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.3 tp -64.2 126.29 27.26 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 116.978 -1.487 . . . . 0.0 110.078 178.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 21.7 pt -61.79 -37.91 79.23 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 CA-C-O 114.956 -2.449 . . . . 0.0 115.341 -174.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -148.2 113.46 3.85 Favored Pre-proline 0 N--CA 1.497 1.911 0 O-C-N 126.549 2.406 . . . . 0.0 110.481 -174.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -52.68 -26.87 31.31 Favored 'Trans proline' 0 CA--C 1.487 -1.853 1 CA-C-O 108.88 -4.717 . . . . 0.0 111.712 -178.796 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -37.07 -42.35 0.77 Allowed Glycine 0 N--CA 1.493 2.471 0 CA-C-N 125.019 3.554 . . . . 0.0 120.215 164.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.36 144.53 37.91 Favored 'General case' 0 C--N 1.29 -1.982 0 CA-C-N 121.377 2.589 . . . . 0.0 112.263 -165.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -145.81 -9.48 0.54 Allowed 'General case' 0 N--CA 1.509 2.484 0 N-CA-C 115.917 1.821 . . . . 0.0 115.917 -175.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -93.72 125.49 38.36 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 116.274 -1.822 . . . . 0.0 113.397 168.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 42.1 pt -43.09 -32.67 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 CA-C-N 123.86 3.027 . . . . 0.0 116.141 -179.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.7 m -63.04 -42.57 99.78 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 131.128 3.771 . . . . 0.0 112.105 -175.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . 0.253 18.3 t-20 -104.77 -30.57 9.82 Favored 'General case' 0 N--CA 1.395 -3.18 0 C-N-CA 127.759 2.424 . . . . 0.0 112.011 -177.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 60.6 m -52.38 130.29 30.82 Favored 'General case' 0 CA--C 1.568 1.667 0 CA-C-O 126.655 3.121 . . . . 0.0 113.853 168.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -134.36 150.06 50.89 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-N 112.019 -2.355 . . . . 0.0 110.599 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -133.81 157.5 45.75 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 111.786 -2.461 . . . . 0.0 116.802 -167.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -125.1 153.01 43.62 Favored 'General case' 0 C--O 1.268 2.059 0 CA-C-N 113.81 -1.541 . . . . 0.0 110.599 -173.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -106.96 115.3 29.94 Favored 'General case' 0 C--N 1.289 -2.063 0 C-N-CA 129.495 3.118 . . . . 0.0 109.508 -165.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -129.51 76.01 79.2 Favored Pre-proline 0 CA--C 1.57 1.723 0 N-CA-C 105.002 -2.221 . . . . 0.0 105.002 -178.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -73.17 167.12 28.16 Favored 'Trans proline' 0 C--O 1.267 1.942 0 O-C-N 123.681 1.358 . . . . 0.0 108.977 164.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 168.62 -158.63 31.4 Favored Glycine 1 N--CA 1.525 4.623 0 CA-C-N 112.865 -1.97 . . . . 0.0 110.263 -174.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -146.99 128.69 15.2 Favored 'General case' 0 C--N 1.394 2.517 0 CA-C-O 112.703 -3.523 . . . . 0.0 113.974 -175.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -153.0 160.97 43.06 Favored 'General case' 0 CA--C 1.557 1.248 0 CA-C-N 124.221 3.191 . . . . 0.0 112.183 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -58.43 177.03 0.15 Allowed 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 118.638 2.829 . . . . 0.0 118.638 156.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -138.45 163.07 32.87 Favored 'General case' 0 CA--C 1.583 2.225 0 N-CA-C 116.444 2.016 . . . . 0.0 116.444 167.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.2 t -132.39 131.38 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.18 0 N-CA-C 104.684 -2.339 . . . . 0.0 104.684 176.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.9 m -133.72 149.51 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 C-N-CA 129.169 2.988 . . . . 0.0 111.788 -163.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.84 150.53 30.25 Favored 'General case' 0 C--N 1.366 1.322 0 O-C-N 119.978 -1.701 . . . . 0.0 110.533 161.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 61.1 m -129.06 162.72 27.02 Favored 'General case' 0 C--O 1.25 1.129 0 O-C-N 124.698 1.249 . . . . 0.0 113.921 -178.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -138.82 -178.63 5.41 Favored 'General case' 0 C--O 1.177 -2.746 0 C-N-CA 123.167 0.587 . . . . 0.0 110.602 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -76.04 163.09 27.49 Favored 'General case' 0 CA--C 1.586 2.347 0 N-CA-C 116.007 1.854 . . . . 0.0 116.007 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -61.27 143.13 56.2 Favored 'General case' 0 C--O 1.196 -1.763 0 O-C-N 120.838 -1.164 . . . . 0.0 110.593 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . 0.282 5.5 t70 -65.72 157.2 80.41 Favored Pre-proline 0 C--O 1.189 -2.104 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 149.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . 0.348 52.7 Cg_exo -50.65 -34.19 42.5 Favored 'Trans proline' 0 CA--C 1.577 2.665 0 CA-C-O 114.706 -2.289 . . . . 0.0 111.714 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -131.65 -23.47 2.31 Favored 'General case' 0 CA--C 1.494 -1.206 0 CA-C-N 122.729 2.513 . . . . 0.0 115.822 -159.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -84.17 139.86 32.12 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 117.106 -3.497 . . . . 0.0 107.229 -175.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 43.7 m 38.25 61.81 4.44 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 129.906 3.282 . . . . 0.0 110.436 176.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -77.56 10.84 2.37 Favored 'Trans proline' 0 N--CA 1.435 -1.965 0 C-N-CA 124.176 3.251 . . . . 0.0 114.894 -168.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 35.4 ttt-85 -77.94 -14.13 59.64 Favored 'General case' 0 C--O 1.17 -3.09 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 172.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -128.45 131.64 23.89 Favored Pre-proline 0 C--O 1.258 1.521 0 O-C-N 119.191 -2.193 . . . . 0.0 114.974 -164.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -71.52 -16.47 30.61 Favored 'Trans proline' 0 C--N 1.377 2.062 0 CA-C-N 123.113 2.148 . . . . 0.0 112.391 178.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.2 m -149.56 165.84 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.473 0 CA-C-O 116.678 -1.629 . . . . 0.0 114.413 -172.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.58 138.47 10.57 Favored Pre-proline 0 C--O 1.259 1.595 0 O-C-N 124.706 1.254 . . . . 0.0 111.141 -161.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -57.31 141.45 94.7 Favored 'Trans proline' 1 N--CA 1.367 -5.914 1 C-N-CA 126.115 4.543 . . . . 0.0 113.297 171.628 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 34.4 m -137.22 -17.74 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.769 0 N-CA-C 118.478 2.77 . . . . 0.0 118.478 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -143.42 158.45 43.63 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 117.154 -1.403 . . . . 0.0 113.898 173.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 22.3 tp -116.7 127.64 54.6 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 113.741 -3.028 . . . . 0.0 110.082 176.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -104.58 -35.43 7.85 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-N 123.84 3.018 . . . . 0.0 109.82 -168.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.1 t -166.76 -173.99 2.6 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 124.543 1.137 . . . . 0.0 113.049 160.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 58.5 p -134.69 144.17 47.63 Favored 'General case' 0 N--CA 1.539 3.976 0 O-C-N 118.953 -2.342 . . . . 0.0 114.056 160.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.35 0.2 OUTLIER . . . . . 0 C--N 1.393 2.486 0 CA-C-N 121.819 2.1 . . . . 0.0 112.891 -162.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 203' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 . . . . . 0 C--O 1.173 -2.955 0 CA-C-O 113.175 -3.298 . . . . 0.0 113.589 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.14 164.23 20.41 Favored 'Trans proline' 0 C--N 1.388 2.634 1 O-C-N 129.155 4.239 . . . . 0.0 114.071 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -74.42 -24.92 13.64 Favored 'Trans proline' 0 CA--C 1.566 2.085 0 N-CA-C 119.162 2.716 . . . . 0.0 119.162 -169.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -138.69 3.91 2.31 Favored 'General case' 0 N--CA 1.512 2.635 0 N-CA-C 119.804 3.261 . . . . 0.0 119.804 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -144.07 153.23 41.97 Favored 'General case' 0 N--CA 1.511 2.619 0 C-N-CA 124.446 1.098 . . . . 0.0 109.369 177.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.0 p -77.3 162.32 27.4 Favored 'General case' 0 C--O 1.262 1.715 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.18 164.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -62.33 -31.68 72.34 Favored 'General case' 0 CA--C 1.556 1.184 0 CA-C-O 112.99 -3.386 . . . . 0.0 108.06 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.9 -27.49 62.87 Favored 'General case' 0 CA--C 1.609 3.225 0 CA-C-N 122.757 2.526 . . . . 0.0 113.266 176.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -74.53 -37.08 63.16 Favored 'General case' 0 CA--C 1.569 1.687 0 C-N-CA 128.323 2.649 . . . . 0.0 109.606 169.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -70.57 -46.6 63.19 Favored 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 116.638 2.088 . . . . 0.0 116.638 174.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -33.86 -56.54 0.47 Allowed 'General case' 0 N--CA 1.438 -1.025 0 C-N-CA 127.407 2.283 . . . . 0.0 115.53 158.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.25 -51.35 61.36 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 124.893 1.277 . . . . 0.0 112.335 -177.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.0 mt -59.66 -25.61 32.35 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.994 0 O-C-N 127.928 3.268 . . . . 0.0 110.193 -174.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -88.55 -23.74 23.08 Favored 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 117.228 2.307 . . . . 0.0 117.228 174.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -137.42 -12.55 1.58 Allowed 'General case' 0 C--O 1.26 1.634 0 O-C-N 119.748 -1.845 . . . . 0.0 114.089 -166.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.1 mm -114.97 133.9 59.72 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.359 0 O-C-N 116.554 -3.841 . . . . 0.0 112.818 -169.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.1 t -161.94 -178.15 6.27 Favored 'General case' 0 CA--C 1.583 2.231 0 CA-C-N 112.572 -2.104 . . . . 0.0 111.036 -159.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.6 tp -158.31 -22.97 0.08 Allowed 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 112.411 -2.177 . . . . 0.0 113.315 172.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -157.92 72.04 4.14 Favored Pre-proline 0 CA--C 1.592 2.558 0 CA-C-N 124.844 3.474 . . . . 0.0 106.856 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.33 151.98 49.15 Favored 'Trans proline' 0 C--N 1.398 3.144 0 CA-C-O 122.68 1.033 . . . . 0.0 112.233 -165.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -70.48 174.6 9.89 Favored 'Trans proline' 0 CA--C 1.577 2.628 0 CA-C-O 123.662 1.442 . . . . 0.0 111.021 170.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.4 mmt-85 -58.79 152.98 17.87 Favored 'General case' 0 N--CA 1.428 -1.571 1 O-C-N 115.593 -4.442 . . . . 0.0 109.407 175.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.493 ' SG ' ' HA ' ' A' ' 100' ' ' ASP . 5.6 m -48.65 -34.86 12.59 Favored 'General case' 0 C--N 1.399 2.726 0 C-N-CA 127.945 2.498 . . . . 0.0 113.672 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.3 p -48.6 -48.18 39.37 Favored 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 131.462 3.905 . . . . 0.0 108.813 170.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 37.4 mm -89.24 -35.82 8.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 O-C-N 118.247 -2.783 . . . . 0.0 114.438 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.87 -39.91 55.59 Favored 'General case' 0 N--CA 1.511 2.586 0 O-C-N 119.7 -1.875 . . . . 0.0 113.616 -173.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 83.4 mmm -62.99 -16.15 58.7 Favored 'General case' 0 C--N 1.41 3.213 0 O-C-N 120.146 -1.596 . . . . 0.0 112.168 172.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -65.91 -17.72 64.85 Favored 'General case' 0 N--CA 1.508 2.444 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 165.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.71 -36.77 72.46 Favored 'General case' 0 N--CA 1.411 -2.391 0 O-C-N 119.934 -1.729 . . . . 0.0 114.576 171.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 pt -97.87 -59.87 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.547 0 CA-C-O 123.746 1.736 . . . . 0.0 108.679 173.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -76.45 -11.41 59.88 Favored 'General case' 0 CA--C 1.562 1.438 0 O-C-N 116.783 -3.698 . . . . 0.0 114.994 -159.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -102.69 27.09 7.24 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 128.921 2.888 . . . . 0.0 117.53 165.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -144.09 -37.86 0.31 Allowed 'General case' 0 N--CA 1.498 1.972 0 CA-C-O 114.102 -2.856 . . . . 0.0 105.363 -175.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -86.5 163.53 17.47 Favored 'General case' 0 CA--C 1.571 1.767 0 CA-C-N 120.821 1.646 . . . . 0.0 110.16 170.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 16.1 p-90 -57.05 -29.44 63.41 Favored 'General case' 0 N--CA 1.393 -3.318 1 N-CA-C 122.345 4.202 . . . . 0.0 122.345 174.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -132.39 170.51 14.99 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 127.599 2.36 . . . . 0.0 114.446 171.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 78.3 m -58.4 172.27 0.49 Allowed 'General case' 0 N--CA 1.5 2.04 0 O-C-N 127.239 2.837 . . . . 0.0 116.966 165.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -149.54 144.82 26.49 Favored 'General case' 0 CA--C 1.502 -0.896 0 C-N-CA 131.562 3.945 . . . . 0.0 110.343 172.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -66.97 -48.82 67.35 Favored 'General case' 0 N--CA 1.403 -2.822 0 N-CA-C 121.52 3.896 . . . . 0.0 121.52 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.533 ' HB2' ' HO3' ' A' ' 203' ' ' SGN . 74.5 mm-40 -141.81 150.91 42.28 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-O 123.464 1.602 . . . . 0.0 106.906 -176.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -151.34 148.97 28.79 Favored 'General case' 0 N--CA 1.503 2.185 0 C-N-CA 127.409 2.284 . . . . 0.0 113.611 163.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.2 m -114.82 142.24 46.82 Favored 'General case' 0 C--O 1.195 -1.797 0 O-C-N 128.685 3.74 . . . . 0.0 108.936 174.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -124.0 151.64 43.49 Favored 'General case' 0 CA--C 1.581 2.168 0 O-C-N 118.07 -2.894 . . . . 0.0 112.397 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.3 mt -136.46 132.59 35.58 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-N 121.531 1.969 . . . . 0.0 113.438 -166.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -92.78 77.82 4.82 Favored 'General case' 0 N--CA 1.395 -3.221 0 C-N-CA 128.612 2.765 . . . . 0.0 111.483 -174.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.451 ' HB ' HG11 ' A' ' 78' ' ' VAL . 14.9 t -153.14 159.15 42.68 Favored 'General case' 0 CA--C 1.558 1.268 0 CA-C-N 111.894 -2.412 . . . . 0.0 115.446 -178.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.9 p -74.71 127.31 32.83 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-O 114.333 -2.746 . . . . 0.0 110.893 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -40.63 -42.45 1.71 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 128.901 2.88 . . . . 0.0 108.282 170.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.17 -46.27 54.07 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 129.199 2.999 . . . . 0.0 116.307 170.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -69.29 -35.19 75.76 Favored 'General case' 0 C--N 1.282 -2.331 0 CA-C-N 121.326 1.876 . . . . 0.0 110.66 176.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.0 t -68.75 -36.58 74.96 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.289 0 O-C-N 117.78 -3.075 . . . . 0.0 111.217 177.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 82.0 t -62.28 -47.29 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 125.239 1.587 . . . . 0.0 114.988 161.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . 0.301 21.6 t-20 -52.03 -36.68 50.95 Favored 'General case' 0 CA--C 1.585 2.308 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 165.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.1 t -72.36 -36.85 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.993 0 O-C-N 119.468 -2.02 . . . . 0.0 111.943 176.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 63.3 m -56.72 -10.25 0.98 Allowed 'General case' 0 CA--C 1.592 2.591 0 N-CA-C 117.439 2.385 . . . . 0.0 117.439 157.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.15 -26.31 19.14 Favored Glycine 1 CA--C 1.583 4.285 0 CA-C-O 126.785 3.436 . . . . 0.0 110.296 176.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -62.13 164.16 7.19 Favored 'General case' 0 N--CA 1.506 2.354 0 N-CA-C 118.798 2.888 . . . . 0.0 118.798 170.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -34.32 136.64 0.13 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 128.312 2.645 . . . . 0.0 113.6 174.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 m -73.93 131.32 41.33 Favored 'General case' 0 N--CA 1.525 3.299 0 CA-C-O 117.12 -1.419 . . . . 0.0 112.921 174.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.575 HG13 ' SG ' ' A' ' 71' ' ' CYS . 20.9 pt -136.98 -162.65 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.251 1.183 0 O-C-N 124.456 1.097 . . . . 0.0 108.923 174.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -147.46 153.07 39.11 Favored 'General case' 0 N--CA 1.517 2.893 0 C-N-CA 119.517 -0.873 . . . . 0.0 109.539 -175.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 68.0 m -143.88 153.36 57.32 Favored Pre-proline 0 CA--C 1.607 3.146 0 CA-C-O 116.015 -1.945 . . . . 0.0 109.887 -151.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -54.09 -8.88 1.13 Allowed 'Trans proline' 0 C--O 1.244 0.777 1 N-CA-C 122.965 4.179 . . . . 0.0 122.965 177.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 53.1 m80 -132.86 27.03 4.3 Favored 'General case' 0 CA--C 1.599 2.839 0 CA-C-O 116.466 -1.73 . . . . 0.0 109.817 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -130.49 -5.51 4.21 Favored 'General case' 0 N--CA 1.515 2.794 0 N-CA-C 116.5 2.037 . . . . 0.0 116.5 -168.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.3 ptt-85 -46.07 -17.16 0.03 OUTLIER 'General case' 0 C--N 1.39 2.338 0 O-C-N 119.585 -1.947 . . . . 0.0 116.161 170.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -43.59 -36.1 1.98 Allowed 'General case' 0 N--CA 1.422 -1.839 0 O-C-N 116.937 -3.602 . . . . 0.0 114.95 155.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -150.17 3.32 0.51 Allowed 'General case' 0 N--CA 1.513 2.682 0 CA-C-N 124.576 3.353 . . . . 0.0 113.558 173.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 44.08 47.19 7.37 Favored 'General case' 0 C--O 1.284 2.885 0 C-N-CA 127.432 2.293 . . . . 0.0 114.203 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -134.36 117.91 16.87 Favored 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 125.029 1.331 . . . . 0.0 112.265 166.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.575 ' SG ' HG13 ' A' ' 60' ' ' ILE . 31.3 p -145.2 -178.16 5.92 Favored 'General case' 0 C--N 1.31 -1.14 0 C-N-CA 129.104 2.961 . . . . 0.0 108.336 175.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -148.75 168.92 21.64 Favored 'General case' 0 CA--C 1.446 -3.039 0 C-N-CA 126.138 1.775 . . . . 0.0 112.772 -174.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 29.9 ptt85 -146.33 151.93 38.31 Favored 'General case' 0 N--CA 1.503 2.177 0 CA-C-N 114.08 -1.418 . . . . 0.0 110.474 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 67.8 p -63.77 155.69 29.51 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 126.361 2.288 . . . . 0.0 113.728 -170.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.6 mtt-85 -85.1 -38.03 19.58 Favored 'General case' 0 C--O 1.257 1.456 0 C-N-CA 125.668 1.587 . . . . 0.0 114.263 174.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -142.61 152.06 42.12 Favored 'General case' 0 CA--C 1.574 1.902 1 C-N-CA 132.328 4.251 . . . . 0.0 108.738 -176.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -73.09 167.6 20.8 Favored 'General case' 0 C--O 1.214 -0.776 0 N-CA-C 118.742 2.867 . . . . 0.0 118.742 178.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.451 HG11 ' HB ' ' A' ' 46' ' ' THR . 15.2 m -135.85 148.03 63.53 Favored Pre-proline 0 C--N 1.379 1.884 0 CA-C-O 115.873 -2.013 . . . . 0.0 110.137 175.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -60.96 141.02 93.24 Favored 'Trans proline' 0 CA--C 1.511 -0.674 0 O-C-N 128.614 3.955 . . . . 0.0 109.741 168.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 pp -140.45 160.93 38.92 Favored 'General case' 0 CA--C 1.503 -0.852 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 34.6 tp -117.26 124.99 50.38 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 129.848 3.259 . . . . 0.0 110.139 174.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -117.61 138.13 52.16 Favored 'General case' 0 CA--C 1.595 2.707 0 C-N-CA 127.132 2.173 . . . . 0.0 106.424 176.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 97.2 m -114.44 160.33 19.3 Favored 'General case' 0 C--N 1.291 -1.944 0 CA-C-N 113.067 -1.878 . . . . 0.0 110.736 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -158.22 115.56 2.91 Favored 'General case' 0 N--CA 1.505 2.3 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 -156.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 24.0 tp -86.87 129.86 34.7 Favored 'General case' 0 C--N 1.37 1.461 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -177.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.288 35.8 pt -43.8 -41.6 1.62 Allowed 'Isoleucine or valine' 0 C--O 1.283 2.83 0 N-CA-C 119.405 3.113 . . . . 0.0 119.405 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -139.59 109.36 7.3 Favored Pre-proline 0 C--O 1.21 -0.996 0 C-N-CA 131.517 3.927 . . . . 0.0 113.292 177.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -42.09 -24.32 0.31 Allowed 'Trans proline' 0 CA--C 1.57 2.277 1 C-N-CA 128.587 6.191 . . . . 0.0 120.976 166.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -93.19 12.58 69.53 Favored Glycine 0 CA--C 1.565 3.208 0 O-C-N 124.997 1.436 . . . . 0.0 111.806 -176.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -99.25 146.96 25.65 Favored 'General case' 0 N--CA 1.506 2.373 0 O-C-N 118.443 -2.798 . . . . 0.0 110.27 176.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -134.91 -16.07 1.98 Allowed 'General case' 0 CA--C 1.58 2.103 0 O-C-N 117.782 -3.074 . . . . 0.0 108.733 -156.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -114.2 136.23 53.18 Favored 'General case' 0 CA--C 1.588 2.435 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -164.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 9.0 pt -45.91 -46.05 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.132 0 O-C-N 117.532 -3.23 . . . . 0.0 117.756 174.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.5 m -81.58 13.86 2.87 Favored 'General case' 0 C--O 1.276 2.478 0 C-N-CA 128.095 2.558 . . . . 0.0 113.78 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -136.55 -36.56 0.71 Allowed 'General case' 0 C--N 1.37 1.481 0 CA-C-O 114.274 -2.774 . . . . 0.0 107.81 174.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 56.2 m -66.58 141.28 57.89 Favored 'General case' 0 N--CA 1.413 -2.295 0 CA-C-N 123.848 3.022 . . . . 0.0 111.604 175.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -149.83 157.44 43.2 Favored 'General case' 0 N--CA 1.432 -1.33 0 C-N-CA 130.185 3.394 . . . . 0.0 112.655 178.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -139.71 156.01 47.04 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 115.887 1.81 . . . . 0.0 115.887 -163.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -122.54 153.81 38.73 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 116.867 -1.54 . . . . 0.0 112.667 172.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.493 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -80.75 146.98 30.73 Favored 'General case' 0 N--CA 1.524 3.234 0 CA-C-N 119.876 1.216 . . . . 0.0 111.348 177.538 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -141.36 75.23 23.2 Favored Pre-proline 0 N--CA 1.424 -1.743 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 160.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . 0.466 13.0 Cg_endo -51.65 143.94 35.44 Favored 'Trans proline' 0 CA--C 1.556 1.579 1 C-N-CA 128.994 6.463 . . . . 0.0 114.175 167.769 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -160.28 -176.14 32.04 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 107.239 -2.344 . . . . 0.0 107.239 -165.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -155.17 119.9 4.8 Favored 'General case' 1 N--CA 1.543 4.211 0 CA-C-N 113.616 -1.292 . . . . 0.0 108.359 163.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 73.2 mtm-85 -137.76 175.98 9.11 Favored 'General case' 0 C--O 1.257 1.485 0 C-N-CA 126.607 1.963 . . . . 0.0 111.982 178.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -87.93 167.67 13.53 Favored 'General case' 0 C--N 1.376 1.719 0 N-CA-C 106.779 -1.563 . . . . 0.0 106.779 167.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -148.25 166.87 26.66 Favored 'General case' 0 C--O 1.247 0.937 0 O-C-N 120.33 -1.481 . . . . 0.0 114.73 -176.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 42.6 t -134.43 143.96 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.301 0 C-N-CA 126.26 1.824 . . . . 0.0 106.975 -173.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 10.0 m -141.25 164.58 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.469 -178.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -121.09 153.76 37.02 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 102.047 -3.316 . . . . 0.0 102.047 161.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 77.7 m -139.95 158.24 44.39 Favored 'General case' 0 C--O 1.193 -1.899 0 C-N-CA 126.85 2.06 . . . . 0.0 113.728 -161.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -138.63 173.97 11.03 Favored 'General case' 0 CA--C 1.548 0.865 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 176.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -69.62 158.99 34.25 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 116.918 -3.614 . . . . 0.0 110.863 169.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -66.36 174.55 2.63 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 116.874 2.176 . . . . 0.0 116.874 -175.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -116.16 134.55 22.77 Favored Pre-proline 0 CA--C 1.561 1.369 0 CA-C-N 113.156 -1.838 . . . . 0.0 113.326 164.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -47.45 -13.26 0.15 Allowed 'Trans proline' 1 N--CA 1.542 4.346 1 N-CA-C 122.509 4.003 . . . . 0.0 122.509 177.483 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . 0.269 67.1 mtt85 -133.45 16.27 4.04 Favored 'General case' 0 C--O 1.187 -2.189 0 C-N-CA 126.966 2.106 . . . . 0.0 114.203 -172.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -140.29 145.96 37.94 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-N 112.162 -2.29 . . . . 0.0 114.515 174.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . 0.273 3.5 m 39.28 56.52 6.02 Favored Pre-proline 0 N--CA 1.492 1.642 0 C-N-CA 128.032 2.533 . . . . 0.0 112.694 -177.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -55.46 -20.86 27.9 Favored 'Trans proline' 0 C--N 1.381 2.269 1 C-N-CA 127.647 5.565 . . . . 0.0 116.352 -171.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 33.8 ttt85 -67.89 -17.31 64.44 Favored 'General case' 0 CA--C 1.593 2.63 0 CA-C-O 115.146 -2.359 . . . . 0.0 115.996 175.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -126.68 148.81 66.31 Favored Pre-proline 0 N--CA 1.527 3.384 0 CA-C-N 121.077 1.762 . . . . 0.0 113.918 -164.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -78.65 -24.19 7.63 Favored 'Trans proline' 0 CA--C 1.567 2.14 0 CA-C-N 121.378 1.528 . . . . 0.0 114.251 174.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 29.8 m -137.36 160.18 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 CA-C-O 124.614 2.15 . . . . 0.0 110.097 -177.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 4.0 m -126.37 149.25 66.84 Favored Pre-proline 0 C--O 1.29 3.209 0 O-C-N 117.37 -3.331 . . . . 0.0 116.947 171.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -73.16 147.32 42.38 Favored 'Trans proline' 0 C--N 1.3 -2.019 1 C-N-CA 128.109 5.872 . . . . 0.0 110.561 164.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.4 m -137.7 -14.35 0.59 Allowed 'Isoleucine or valine' 1 N--CA 1.54 4.027 0 N-CA-C 115.547 1.684 . . . . 0.0 115.547 -174.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -161.75 126.42 3.4 Favored 'General case' 0 N--CA 1.51 2.539 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 172.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 8.5 tp -76.32 117.72 18.28 Favored 'General case' 0 C--O 1.187 -2.219 0 C-N-CA 128.858 2.863 . . . . 0.0 103.548 172.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -86.36 -47.53 9.27 Favored 'General case' 0 C--N 1.287 -2.146 0 N-CA-C 116.882 2.179 . . . . 0.0 116.882 174.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 5.2 t -161.91 173.42 14.52 Favored 'General case' 0 C--O 1.205 -1.239 0 CA-C-N 122.385 2.357 . . . . 0.0 113.652 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 64.5 p -126.96 158.74 36.05 Favored 'General case' 0 CA--C 1.491 -1.29 0 O-C-N 126.699 2.5 . . . . 0.0 107.655 169.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.265 0.2 OUTLIER . . . . . 0 N--CA 1.512 2.664 0 CA-C-O 114.309 -2.758 . . . . 0.0 112.101 -173.259 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' IDS . . . . . 0.549 ' HO3' ' H1 ' ' A' ' 203' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 203' ' ' SGN . . . . . 0.549 ' H1 ' ' HO3' ' A' ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo . . . . . 0 CA--C 1.576 2.621 0 N-CA-C 115.263 1.217 . . . . 0.0 115.263 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -53.37 -33.15 65.18 Favored 'Trans proline' 0 C--O 1.288 2.992 1 C-N-CA 128.119 5.879 . . . . 0.0 112.139 -168.189 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -128.73 1.99 5.46 Favored 'General case' 0 CA--C 1.616 3.513 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -173.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.403 ' CZ ' HD13 ' A' ' 13' ' ' ILE . 11.0 m-85 -160.57 170.34 21.08 Favored 'General case' 0 C--N 1.359 0.982 0 O-C-N 117.912 -2.993 . . . . 0.0 111.712 -174.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.0 p -68.3 165.97 17.47 Favored 'General case' 0 C--N 1.291 -1.944 0 O-C-N 126.491 2.369 . . . . 0.0 111.828 161.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -60.71 -56.83 16.54 Favored 'General case' 0 C--N 1.37 1.477 0 O-C-N 119.483 -2.011 . . . . 0.0 107.439 172.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.62 -39.62 68.11 Favored 'General case' 0 CA--C 1.592 2.566 0 N-CA-C 115.749 1.759 . . . . 0.0 115.749 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -68.41 -43.65 76.75 Favored 'General case' 0 N--CA 1.508 2.471 0 C-N-CA 118.314 -1.354 . . . . 0.0 110.663 174.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.25 51.5 t-105 -59.81 -41.54 91.48 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-O 122.346 1.07 . . . . 0.0 109.192 -177.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -57.39 -40.3 77.95 Favored 'General case' 0 C--O 1.265 1.873 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 171.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.57 -50.45 51.64 Favored 'General case' 0 CA--C 1.561 1.381 0 C-N-CA 127.19 2.196 . . . . 0.0 110.552 175.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.403 HD13 ' CZ ' ' A' ' 5' ' ' PHE . 61.4 mt -56.61 -30.52 32.13 Favored 'Isoleucine or valine' 0 C--O 1.26 1.618 0 CA-C-O 113.449 -3.167 . . . . 0.0 110.267 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -86.63 -42.67 13.25 Favored 'General case' 0 N--CA 1.397 -3.114 0 C-N-CA 131.381 3.872 . . . . 0.0 106.952 -178.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -132.73 -7.21 3.19 Favored 'General case' 0 C--N 1.403 2.927 0 N-CA-C 116.937 2.199 . . . . 0.0 116.937 -158.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.5 mm -119.82 112.15 35.72 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.241 0 CA-C-N 121.947 2.158 . . . . 0.0 106.86 -173.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.1 m -158.29 90.27 1.03 Allowed 'General case' 1 N--CA 1.551 4.591 0 N-CA-C 104.78 -2.304 . . . . 0.0 104.78 -152.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.0 tp -71.02 -32.98 69.9 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-O 115.945 -1.979 . . . . 0.0 111.943 -174.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -147.95 69.67 10.98 Favored Pre-proline 0 C--N 1.279 -2.494 0 C-N-CA 125.673 1.589 . . . . 0.0 107.764 -173.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -69.55 167.12 25.09 Favored 'Trans proline' 0 N--CA 1.501 1.966 0 C-N-CA 122.4 2.066 . . . . 0.0 113.687 -172.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -80.06 173.14 13.02 Favored 'Trans proline' 0 C--O 1.21 -0.89 0 C-N-CA 122.881 2.387 . . . . 0.0 114.626 155.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.4 mmt85 -65.53 146.07 55.31 Favored 'General case' 0 CA--C 1.583 2.215 0 C-N-CA 128.844 2.857 . . . . 0.0 110.442 172.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.552 ' SG ' ' HA ' ' A' ' 100' ' ' ASP . 35.5 m -43.23 -43.98 5.04 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 129.085 2.954 . . . . 0.0 116.958 -173.353 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.6 p -51.04 -29.15 11.89 Favored 'General case' 0 N--CA 1.519 3.016 0 C-N-CA 127.282 2.233 . . . . 0.0 116.236 172.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 mm -91.22 -49.56 13.31 Favored 'Isoleucine or valine' 0 C--N 1.379 1.89 0 C-N-CA 128.568 2.747 . . . . 0.0 112.753 167.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.29 -36.03 74.83 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 125.424 1.703 . . . . 0.0 112.85 -169.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 42.1 mmm -58.92 -32.29 69.42 Favored 'General case' 0 CA--C 1.572 1.805 0 C-N-CA 128.05 2.54 . . . . 0.0 114.635 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.3 35.1 mtt180 -51.37 -27.89 11.1 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 127.163 2.185 . . . . 0.0 115.906 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.87 -3.0 2.94 Favored 'General case' 0 N--CA 1.421 -1.877 0 N-CA-C 117.374 2.361 . . . . 0.0 117.374 176.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.4 pt -143.96 -39.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.386 2.158 0 O-C-N 120.362 -1.461 . . . . 0.0 111.571 165.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -69.23 -27.48 65.51 Favored 'General case' 0 CA--C 1.561 1.4 0 O-C-N 117.786 -3.072 . . . . 0.0 112.641 -171.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -97.55 23.55 7.6 Favored 'General case' 0 N--CA 1.529 3.522 0 C-N-CA 127.038 2.135 . . . . 0.0 112.488 167.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -134.06 -20.35 1.94 Allowed 'General case' 0 CA--C 1.577 2.006 0 O-C-N 124.701 1.251 . . . . 0.0 114.27 173.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -108.65 155.6 20.51 Favored 'General case' 0 CA--C 1.484 -1.57 0 C-N-CA 128.169 2.587 . . . . 0.0 113.592 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -18.06 42.04 Favored 'General case' 0 C--O 1.265 1.872 0 N-CA-C 119.916 3.302 . . . . 0.0 119.916 -166.429 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -139.86 157.38 45.81 Favored 'General case' 0 N--CA 1.489 1.49 1 C-N-CA 132.232 4.213 . . . . 0.0 113.211 173.383 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 78.8 m -58.39 120.61 9.07 Favored 'General case' 0 N--CA 1.412 -2.346 0 N-CA-C 117.306 2.336 . . . . 0.0 117.306 159.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -77.64 133.52 38.39 Favored 'General case' 0 C--N 1.367 1.358 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 162.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . 0.266 9.1 t-20 -57.29 -42.1 81.08 Favored 'General case' 0 C--N 1.28 -2.447 0 C-N-CA 126.69 1.996 . . . . 0.0 113.051 -175.164 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -138.1 141.16 40.23 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 117.871 -3.018 . . . . 0.0 104.785 -163.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -148.64 163.25 37.83 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 116.898 2.184 . . . . 0.0 116.898 161.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.2 m -135.36 135.64 40.87 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 122.9 1.333 . . . . 0.0 109.295 -166.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -143.28 93.95 2.55 Favored 'General case' 0 C--O 1.262 1.726 0 CA-C-O 124.519 2.104 . . . . 0.0 106.783 -160.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.3 mt -71.22 116.93 12.1 Favored 'General case' 1 CA--C 1.631 4.067 0 O-C-N 117.86 -3.025 . . . . 0.0 116.984 -178.431 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -70.54 62.66 0.25 Allowed 'General case' 0 CA--C 1.581 2.167 0 CA-C-O 124.267 1.984 . . . . 0.0 108.263 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.1 t -138.94 166.84 23.42 Favored 'General case' 0 N--CA 1.525 3.316 0 C-N-CA 125.609 1.564 . . . . 0.0 113.488 172.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . 0.325 10.1 p -84.09 137.77 33.39 Favored 'General case' 0 N--CA 1.519 2.987 1 C-N-CA 132.731 4.412 . . . . 0.0 117.364 174.574 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -57.46 -33.42 67.95 Favored 'General case' 0 C--N 1.38 1.907 0 N-CA-C 117.816 2.524 . . . . 0.0 117.816 -177.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.77 -43.99 27.95 Favored 'General case' 0 N--CA 1.446 -0.656 1 CA-C-O 111.528 -4.082 . . . . 0.0 115.591 172.14 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -62.94 -43.57 98.42 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 127.304 2.877 . . . . 0.0 111.145 171.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . 0.294 2.7 t -66.79 -37.84 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 CA-C-N 113.842 -1.526 . . . . 0.0 109.317 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 42.5 t -62.43 -32.87 56.55 Favored 'Isoleucine or valine' 0 C--O 1.256 1.447 0 N-CA-C 117.617 2.451 . . . . 0.0 117.617 169.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -67.39 -33.78 75.9 Favored 'General case' 0 C--O 1.202 -1.415 0 CA-C-O 116.003 -1.951 . . . . 0.0 110.123 168.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 51.8 t -75.3 -21.38 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.4 -2.945 0 CA-C-N 123.388 2.813 . . . . 0.0 110.57 -176.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 55.2 m -86.96 25.5 1.3 Allowed 'General case' 0 N--CA 1.4 -2.933 0 C-N-CA 125.555 1.542 . . . . 0.0 113.204 162.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.35 14.19 2.99 Favored Glycine 0 CA--C 1.545 1.961 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 163.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -79.72 171.19 15.46 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 120.674 2.237 . . . . 0.0 105.33 170.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -53.53 137.9 35.31 Favored 'General case' 0 C--O 1.283 2.866 0 O-C-N 126.347 2.279 . . . . 0.0 112.489 173.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 62.3 m -69.18 124.57 24.15 Favored 'General case' 0 N--CA 1.532 3.644 0 CA-C-O 123.204 1.478 . . . . 0.0 114.853 175.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.6 pt -118.73 -168.15 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.36 0 CA-C-O 123.012 1.386 . . . . 0.0 107.44 169.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -140.02 158.33 44.24 Favored 'General case' 0 C--N 1.371 1.53 0 N-CA-C 115.678 1.733 . . . . 0.0 115.678 177.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 49.0 m -128.24 169.44 12.69 Favored Pre-proline 0 C--N 1.391 2.406 0 O-C-N 119.65 -1.906 . . . . 0.0 109.657 -163.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -51.4 -38.93 64.2 Favored 'Trans proline' 0 N--CA 1.491 1.331 1 C-N-CA 127.015 5.143 . . . . 0.0 113.623 -177.284 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -134.67 71.31 1.44 Allowed 'General case' 0 C--N 1.386 2.182 0 N-CA-C 104.571 -2.381 . . . . 0.0 104.571 -166.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -142.48 3.64 1.51 Allowed 'General case' 0 CA--C 1.559 1.326 0 C-N-CA 125.061 1.344 . . . . 0.0 114.598 -157.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -64.51 -23.52 67.3 Favored 'General case' 0 CA--C 1.574 1.866 0 O-C-N 118.75 -2.469 . . . . 0.0 116.267 -172.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 48.3 p -80.63 7.2 10.63 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 124.091 0.869 . . . . 0.0 112.025 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.321 1.9 pt? -143.24 -20.74 0.62 Allowed 'General case' 0 CA--C 1.618 3.58 0 C-N-CA 117.962 -1.495 . . . . 0.0 112.198 164.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.3 t30 39.63 40.78 0.68 Allowed 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 120.162 3.393 . . . . 0.0 120.162 -159.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -152.85 121.38 6.37 Favored 'General case' 0 N--CA 1.408 -2.556 0 C-N-CA 126.949 2.1 . . . . 0.0 107.706 -170.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 31.2 p -147.18 174.13 11.88 Favored 'General case' 0 CA--C 1.568 1.635 1 C-N-CA 134.087 4.955 . . . . 0.0 109.502 169.175 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -151.41 155.69 39.15 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -113.93 154.44 27.56 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 125.277 1.611 . . . . 0.0 106.778 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.1 p -71.38 140.94 50.34 Favored 'General case' 0 N--CA 1.384 -3.738 0 O-C-N 128.323 3.514 . . . . 0.0 110.839 -178.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -80.26 -21.61 42.57 Favored 'General case' 0 C--O 1.283 2.857 0 CA-C-O 115.742 -2.075 . . . . 0.0 112.295 -173.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -141.67 167.91 21.03 Favored 'General case' 0 C--O 1.277 2.544 0 N-CA-C 105.033 -2.21 . . . . 0.0 105.033 172.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -75.4 154.75 36.98 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 117.741 -3.1 . . . . 0.0 111.874 -171.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.8 m -135.51 153.28 77.59 Favored Pre-proline 0 C--O 1.274 2.36 0 CA-C-O 118.795 -0.622 . . . . 0.0 111.542 166.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . 0.252 61.2 Cg_endo -62.98 168.03 11.27 Favored 'Trans proline' 0 CA--C 1.546 1.125 0 C-N-CA 124.315 3.343 . . . . 0.0 110.347 170.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -163.05 -177.83 5.68 Favored 'General case' 0 C--O 1.186 -2.246 1 O-C-N 112.245 -6.534 . . . . 0.0 117.638 174.174 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.5 tp -137.9 148.36 45.26 Favored 'General case' 0 C--O 1.194 -1.83 0 CA-C-N 112.978 -1.919 . . . . 0.0 112.347 167.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . 0.265 12.2 t60 -125.88 150.3 48.01 Favored 'General case' 0 C--O 1.263 1.799 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 173.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 77.9 m -131.09 153.61 49.14 Favored 'General case' 0 C--O 1.25 1.088 0 C-N-CA 127.05 2.14 . . . . 0.0 109.439 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -145.64 109.52 4.82 Favored 'General case' 0 CA--C 1.602 2.947 0 C-N-CA 128.541 2.736 . . . . 0.0 113.161 -161.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 16.6 tp -65.27 104.67 0.97 Allowed 'General case' 0 CA--C 1.569 1.701 0 C-N-CA 126.419 1.888 . . . . 0.0 110.818 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.301 0.3 OUTLIER -74.44 -13.2 15.53 Favored 'Isoleucine or valine' 0 C--N 1.395 2.579 0 O-C-N 119.337 -2.102 . . . . 0.0 114.674 -162.732 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -140.4 97.76 7.48 Favored Pre-proline 0 C--N 1.37 1.489 0 C-N-CA 129.023 2.929 . . . . 0.0 107.277 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -48.85 -9.5 0.09 OUTLIER 'Trans proline' 0 N--CA 1.498 1.792 1 C-N-CA 128.851 6.368 . . . . 0.0 115.927 172.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -88.56 -15.83 59.47 Favored Glycine 1 CA--C 1.579 4.063 0 CA-C-N 122.43 2.377 . . . . 0.0 111.579 -177.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.4 ' HB1' ' SG ' ' A' ' 96' ' ' CYS . . . -69.43 135.05 49.72 Favored 'General case' 0 N--CA 1.436 -1.167 1 O-C-N 114.961 -4.846 . . . . 0.0 107.326 168.724 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -119.9 -6.62 10.04 Favored 'General case' 0 C--O 1.267 1.999 0 CA-C-N 111.338 -2.664 . . . . 0.0 113.559 172.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -142.89 159.97 41.22 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 125.416 2.531 . . . . 0.0 113.845 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.6 pt -67.11 -8.43 7.96 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.227 1 O-C-N 116.183 -4.073 . . . . 0.0 119.064 -171.346 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 55.1 p -78.35 -13.39 59.87 Favored 'General case' 0 C--O 1.25 1.131 0 C-N-CA 127.549 2.34 . . . . 0.0 112.292 171.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -142.84 -20.37 0.66 Allowed 'General case' 0 N--CA 1.416 -2.14 0 N-CA-C 118.562 2.801 . . . . 0.0 118.562 -175.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.4 ' SG ' ' HB1' ' A' ' 90' ' ' ALA . 82.6 m -67.72 137.95 55.88 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.781 0.8 . . . . 0.0 109.302 175.161 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -145.54 138.19 25.89 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 128.686 2.794 . . . . 0.0 107.856 -162.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.268 27.1 m-85 -135.81 -177.14 4.55 Favored 'General case' 0 C--N 1.353 0.719 0 O-C-N 120.267 -1.52 . . . . 0.0 109.625 -168.042 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -155.41 165.19 37.39 Favored 'General case' 0 CA--C 1.583 2.232 0 C-N-CA 130.915 3.686 . . . . 0.0 113.805 167.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.552 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 5.4 m-20 -93.31 148.5 21.99 Favored 'General case' 0 C--N 1.382 2.02 0 O-C-N 117.888 -3.008 . . . . 0.0 112.656 -169.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -143.9 84.77 9.5 Favored Pre-proline 0 N--CA 1.538 3.931 0 O-C-N 127.28 2.863 . . . . 0.0 117.128 171.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -79.87 157.74 24.22 Favored 'Trans proline' 0 N--CA 1.415 -3.119 1 C-N-CA 125.495 4.13 . . . . 0.0 112.181 -175.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -172.91 161.77 33.09 Favored Glycine 0 CA--C 1.573 3.662 0 O-C-N 126.952 2.658 . . . . 0.0 114.851 -162.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -138.11 112.7 8.85 Favored 'General case' 0 N--CA 1.518 2.957 0 CA-C-O 127.508 3.527 . . . . 0.0 116.693 171.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 81.9 mtm-85 -148.87 164.22 35.13 Favored 'General case' 0 C--O 1.177 -2.72 0 CA-C-N 112.524 -2.126 . . . . 0.0 112.535 -164.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -76.98 174.2 10.89 Favored 'General case' 0 CA--C 1.576 1.952 0 CA-C-O 116.24 -1.838 . . . . 0.0 109.147 168.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -144.06 163.72 32.72 Favored 'General case' 0 CA--C 1.572 1.79 0 CA-C-O 124.345 2.022 . . . . 0.0 107.747 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.5 t -131.59 126.63 58.14 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.17 0 O-C-N 117.343 -3.348 . . . . 0.0 114.24 -176.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.9 m -137.4 158.34 34.98 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.683 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -168.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -117.96 165.27 13.91 Favored 'General case' 0 C--O 1.255 1.343 0 O-C-N 119.351 -2.093 . . . . 0.0 107.494 174.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 3.3 m -158.91 151.62 21.92 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.507 -158.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -157.33 -178.09 7.09 Favored 'General case' 0 N--CA 1.405 -2.702 0 O-C-N 119.005 -2.309 . . . . 0.0 105.596 -175.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -48.4 159.81 0.19 Allowed 'General case' 0 CA--C 1.587 2.369 0 N-CA-C 118.562 2.801 . . . . 0.0 118.562 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -58.19 169.67 0.8 Allowed 'General case' 0 CA--C 1.609 3.213 0 C-N-CA 124.709 1.204 . . . . 0.0 113.823 161.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -99.13 136.16 20.6 Favored Pre-proline 0 N--CA 1.515 2.79 0 C-N-CA 126.762 2.025 . . . . 0.0 109.341 176.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -48.65 -28.49 12.53 Favored 'Trans proline' 0 C--N 1.367 1.544 0 N-CA-C 117.426 2.048 . . . . 0.0 117.426 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 38.2 mtm105 -121.14 16.41 11.55 Favored 'General case' 0 N--CA 1.517 2.918 0 CA-C-O 116.235 -1.841 . . . . 0.0 107.102 -171.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -139.8 134.47 31.83 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 125.543 3.792 . . . . 0.0 113.56 173.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.9 m 38.95 58.17 5.77 Favored Pre-proline 0 N--CA 1.496 1.839 0 N-CA-C 117.83 2.53 . . . . 0.0 117.83 167.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -54.1 -27.94 48.5 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 123.747 2.965 . . . . 0.0 115.678 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 49.6 tpt85 -43.11 -20.48 0.02 OUTLIER 'General case' 0 C--N 1.356 0.883 0 N-CA-C 117.554 2.428 . . . . 0.0 117.554 -177.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -125.14 110.79 26.8 Favored Pre-proline 0 CA--C 1.573 1.828 0 N-CA-C 105.084 -2.191 . . . . 0.0 105.084 -171.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -67.73 -23.34 42.23 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.988 2.459 . . . . 0.0 113.574 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -141.46 138.55 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 CA-C-N 121.625 2.011 . . . . 0.0 106.192 -174.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 23.2 m -137.25 148.86 63.92 Favored Pre-proline 0 C--O 1.255 1.347 0 C-N-CA 127.494 2.317 . . . . 0.0 109.644 -170.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -66.79 161.2 43.06 Favored 'Trans proline' 0 C--N 1.407 3.62 0 C-N-CA 124.098 3.199 . . . . 0.0 113.875 173.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 33.7 m -162.93 -7.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.51 2.568 0 CA-C-O 116.295 -1.812 . . . . 0.0 113.763 -166.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 40.8 t60 -159.51 172.31 18.1 Favored 'General case' 0 C--N 1.367 1.328 0 CA-C-N 122.372 2.351 . . . . 0.0 110.751 171.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 57.8 tp -132.03 131.37 42.42 Favored 'General case' 0 CA--C 1.585 2.308 0 C-N-CA 127.975 2.51 . . . . 0.0 114.435 -175.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -110.76 -51.8 2.84 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 119.348 -2.095 . . . . 0.0 113.805 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 10.0 t -166.14 177.96 6.62 Favored 'General case' 0 CA--C 1.574 1.888 0 CA-C-N 121.379 1.9 . . . . 0.0 113.484 177.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 81.7 p -137.1 148.16 46.52 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 125.331 1.453 . . . . 0.0 113.206 172.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.586 2.343 0 CA-C-O 114.597 -2.62 . . . . 0.0 108.936 -166.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo . . . . . 0 N--CA 1.521 3.095 0 N-CA-C 121.135 3.475 . . . . 0.0 121.135 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -52.92 -25.31 27.31 Favored 'Trans proline' 0 C--N 1.378 2.12 0 N-CA-C 120.312 3.159 . . . . 0.0 120.312 -174.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -130.64 -14.04 3.68 Favored 'General case' 0 C--N 1.359 0.979 0 CA-C-N 121.956 2.162 . . . . 0.0 113.787 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -142.68 178.41 7.65 Favored 'General case' 0 C--O 1.188 -2.134 0 CA-C-O 126.022 2.82 . . . . 0.0 110.5 -177.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.0 p -84.16 162.92 20.06 Favored 'General case' 0 C--N 1.368 1.407 0 O-C-N 118.623 -2.548 . . . . 0.0 108.188 168.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -61.33 -44.34 97.35 Favored 'General case' 0 N--CA 1.53 3.555 0 CA-C-N 119.32 0.964 . . . . 0.0 111.416 -170.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.01 -34.04 70.96 Favored 'General case' 0 CA--C 1.579 2.071 0 N-CA-C 117.55 2.426 . . . . 0.0 117.55 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -56.77 -44.49 81.86 Favored 'General case' 0 CA--C 1.554 1.108 0 O-C-N 124.957 1.411 . . . . 0.0 111.16 161.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -69.91 -29.62 66.84 Favored 'General case' 0 CA--C 1.593 2.633 0 CA-C-N 122.797 2.544 . . . . 0.0 114.422 173.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -65.57 -45.17 84.34 Favored 'General case' 0 N--CA 1.52 3.059 0 CA-C-N 119.908 1.231 . . . . 0.0 113.168 167.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.45 -59.04 6.09 Favored 'General case' 0 CA--C 1.598 2.824 0 C-N-CA 131.092 3.757 . . . . 0.0 109.597 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.3 mt -44.61 -52.4 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.615 3.472 0 CA-C-N 120.44 1.473 . . . . 0.0 110.397 168.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -73.81 -12.55 60.72 Favored 'General case' 0 C--N 1.392 2.429 0 CA-C-N 120.735 1.607 . . . . 0.0 110.019 -169.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -142.64 -13.5 0.76 Allowed 'General case' 0 CA--C 1.584 2.285 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 -164.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.0 mm -131.42 103.12 6.81 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.297 0 O-C-N 116.366 -3.959 . . . . 0.0 105.03 -158.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.9 m -154.84 118.18 4.49 Favored 'General case' 0 C--N 1.382 1.982 0 CA-C-N 114.381 -1.281 . . . . 0.0 109.036 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.5 tp -63.76 -36.94 85.52 Favored 'General case' 0 C--O 1.253 1.256 0 O-C-N 127.58 3.05 . . . . 0.0 110.868 -177.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -144.55 63.45 10.82 Favored Pre-proline 0 N--CA 1.418 -2.057 0 C-N-CA 125.634 1.573 . . . . 0.0 113.244 -172.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -45.63 162.78 0.1 OUTLIER 'Trans proline' 0 CA--C 1.589 3.226 0 O-C-N 126.756 2.977 . . . . 0.0 114.665 174.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -84.25 -174.45 1.84 Allowed 'Trans proline' 0 CA--C 1.493 -1.53 0 C-N-CA 123.574 2.849 . . . . 0.0 112.569 160.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.6 mmt-85 -54.85 137.64 44.71 Favored 'General case' 0 C--O 1.199 -1.575 0 CA-C-O 117.511 -1.233 . . . . 0.0 112.031 161.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 20.9 m -43.27 -35.47 1.48 Allowed 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 117.79 2.515 . . . . 0.0 117.79 172.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.8 p -61.55 -27.86 68.92 Favored 'General case' 0 C--O 1.257 1.474 0 CA-C-O 117.021 -1.466 . . . . 0.0 113.321 176.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.9 mm -85.82 -40.91 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.664 1.585 . . . . 0.0 113.018 170.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.36 -40.53 85.78 Favored 'General case' 0 C--N 1.395 2.562 0 CA-C-O 126.487 3.042 . . . . 0.0 115.731 -169.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 37.1 mmm -56.4 -18.72 11.99 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 113.004 -1.907 . . . . 0.0 113.277 170.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -63.3 -16.42 60.28 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 117.501 -3.25 . . . . 0.0 117.163 171.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.31 -19.31 65.78 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 117.345 -3.347 . . . . 0.0 115.884 174.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.1 pt -138.44 -32.7 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.513 2.709 0 CA-C-O 114.308 -2.758 . . . . 0.0 118.169 164.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -69.23 -9.5 53.34 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-N 121.723 2.056 . . . . 0.0 106.839 -177.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -104.96 6.14 33.31 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 119.263 -2.148 . . . . 0.0 114.636 175.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -135.45 -37.17 0.77 Allowed 'General case' 0 C--N 1.346 0.42 0 O-C-N 118.401 -2.687 . . . . 0.0 110.156 -175.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.81 147.54 52.42 Favored 'General case' 1 N--CA 1.373 -4.284 0 O-C-N 117.938 -2.976 . . . . 0.0 112.026 158.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -46.38 -36.81 6.81 Favored 'General case' 0 N--CA 1.512 2.652 0 N-CA-C 116.164 1.912 . . . . 0.0 116.164 -175.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -144.26 178.9 7.58 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 125.96 2.79 . . . . 0.0 108.779 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 37.1 m -79.7 113.17 17.65 Favored 'General case' 0 CA--C 1.597 2.758 1 O-C-N 115.952 -4.218 . . . . 0.0 114.442 -177.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -59.11 138.67 57.46 Favored 'General case' 0 N--CA 1.513 2.722 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 164.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -70.02 -49.85 47.33 Favored 'General case' 0 C--O 1.206 -1.199 0 C-N-CA 128.426 2.69 . . . . 0.0 114.772 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -137.93 147.87 44.76 Favored 'General case' 0 C--O 1.272 2.287 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 -177.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -153.09 159.88 42.85 Favored 'General case' 0 N--CA 1.5 2.067 0 C-N-CA 127.311 2.244 . . . . 0.0 112.197 167.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.2 m -144.24 142.44 30.48 Favored 'General case' 0 CA--C 1.568 1.665 0 O-C-N 128.493 3.621 . . . . 0.0 110.366 -173.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -132.35 131.45 41.92 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 127.553 2.341 . . . . 0.0 111.331 -173.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.9 mt -85.4 129.99 34.69 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 123.627 1.679 . . . . 0.0 109.616 175.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -78.74 57.23 2.03 Favored 'General case' 0 CA--C 1.561 1.384 0 CA-C-O 125.317 2.484 . . . . 0.0 111.474 174.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.6 t -141.77 -173.05 3.68 Favored 'General case' 0 N--CA 1.526 3.356 0 O-C-N 118.266 -2.771 . . . . 0.0 107.125 -176.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.5 p -93.98 149.89 20.84 Favored 'General case' 0 C--O 1.203 -1.348 0 N-CA-C 116.627 2.084 . . . . 0.0 116.627 176.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -52.93 -33.94 53.12 Favored 'General case' 0 CA--C 1.563 1.449 0 O-C-N 117.855 -3.028 . . . . 0.0 110.83 168.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.57 -35.22 75.17 Favored 'General case' 0 C--N 1.385 2.125 0 C-N-CA 124.202 1.001 . . . . 0.0 112.138 -176.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -66.33 -34.24 77.54 Favored 'General case' 0 CA--C 1.576 1.971 0 CA-C-O 116.703 -1.618 . . . . 0.0 113.569 169.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.4 t -70.48 -32.53 50.27 Favored 'Isoleucine or valine' 0 C--O 1.259 1.563 0 N-CA-C 115.983 1.845 . . . . 0.0 115.983 173.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.8 t -74.39 -37.6 45.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 C-N-CA 130.569 3.547 . . . . 0.0 110.911 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -53.73 -39.65 65.45 Favored 'General case' 0 CA--C 1.564 1.492 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 157.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.5 t -74.1 -26.29 20.8 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.185 0 O-C-N 120.319 -1.488 . . . . 0.0 108.248 -176.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 34.5 m -67.95 -5.48 17.31 Favored 'General case' 0 CA--C 1.463 -2.373 0 N-CA-C 119.525 3.157 . . . . 0.0 119.525 166.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -119.21 12.99 11.25 Favored Glycine 0 N--CA 1.499 2.873 0 N-CA-C 119.13 2.412 . . . . 0.0 119.13 164.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -66.44 178.74 1.15 Allowed 'General case' 0 CA--C 1.606 3.117 0 N-CA-C 103.414 -2.809 . . . . 0.0 103.414 160.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -46.17 149.49 0.71 Allowed 'General case' 0 CA--C 1.569 1.68 0 C-N-CA 127.151 2.181 . . . . 0.0 113.34 167.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.6 m -79.68 136.51 36.81 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 117.632 2.456 . . . . 0.0 117.632 165.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.9 pt -137.63 176.87 6.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 C-N-CA 127.725 2.41 . . . . 0.0 110.558 173.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -119.91 164.88 15.39 Favored 'General case' 0 N--CA 1.515 2.778 1 O-C-N 115.91 -4.244 . . . . 0.0 111.503 171.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 57.4 m -138.0 160.48 64.29 Favored Pre-proline 0 N--CA 1.486 1.33 0 O-C-N 128.087 3.367 . . . . 0.0 107.606 -172.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -79.8 -9.34 14.49 Favored 'Trans proline' 0 C--O 1.161 -3.336 0 N-CA-C 119.148 2.711 . . . . 0.0 119.148 -164.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -126.17 34.89 4.77 Favored 'General case' 0 C--O 1.269 2.128 0 CA-C-O 123.251 1.5 . . . . 0.0 114.434 170.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -129.52 -14.33 4.19 Favored 'General case' 0 C--N 1.375 1.706 1 O-C-N 116.128 -4.108 . . . . 0.0 113.199 -160.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -50.64 -10.76 0.07 Allowed 'General case' 0 CA--C 1.56 1.349 0 C-N-CA 128.198 2.599 . . . . 0.0 117.206 -163.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.4 p -78.5 -6.83 56.53 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-O 111.874 -3.917 . . . . 0.0 112.51 174.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.51 -6.09 4.19 Favored 'General case' 0 C--N 1.315 -0.912 0 O-C-N 127.694 3.121 . . . . 0.0 113.302 158.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.339 28.5 t30 47.56 36.47 5.34 Favored 'General case' 0 CA--C 1.565 1.555 0 C-N-CA 131.672 3.989 . . . . 0.0 111.49 168.111 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -148.33 134.3 19.15 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 123.43 1.586 . . . . 0.0 108.433 175.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.2 p -142.31 -172.45 3.6 Favored 'General case' 0 N--CA 1.414 -2.25 0 C-N-CA 129.058 2.943 . . . . 0.0 114.174 162.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -149.29 171.56 16.3 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 125.163 1.385 . . . . 0.0 114.613 -175.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -152.2 167.08 29.72 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 117.394 -3.316 . . . . 0.0 110.225 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.4 p -75.66 144.36 41.7 Favored 'General case' 0 N--CA 1.518 2.95 0 CA-C-O 117.721 -1.133 . . . . 0.0 112.912 -170.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -75.98 -21.06 57.35 Favored 'General case' 0 N--CA 1.419 -2.018 0 CA-C-O 113.963 -2.923 . . . . 0.0 112.414 170.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -146.96 164.31 33.38 Favored 'General case' 0 C--O 1.26 1.611 0 CA-C-N 122.058 2.208 . . . . 0.0 109.334 171.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -65.19 154.35 38.28 Favored 'General case' 0 C--N 1.395 2.544 0 CA-C-O 113.149 -3.31 . . . . 0.0 111.96 -176.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.1 m -133.08 151.81 78.53 Favored Pre-proline 0 C--O 1.275 2.413 0 CA-C-N 121.02 1.736 . . . . 0.0 106.979 166.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -56.28 151.69 42.72 Favored 'Trans proline' 0 C--N 1.389 2.679 0 C-N-CA 121.583 1.522 . . . . 0.0 112.167 161.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.416 HD21 ' HB2' ' A' ' 105' ' ' ARG . 2.4 pp -154.83 168.04 28.24 Favored 'General case' 1 CA--C 1.644 4.576 0 C-N-CA 127.235 2.214 . . . . 0.0 112.224 -175.351 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.2 tp -130.22 141.32 50.64 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 125.072 1.349 . . . . 0.0 111.525 167.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -116.86 143.79 45.28 Favored 'General case' 0 C--N 1.373 1.614 0 O-C-N 125.419 1.699 . . . . 0.0 111.164 170.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . 0.255 61.1 m -125.31 141.73 51.91 Favored 'General case' 0 C--O 1.27 2.17 0 CA-C-O 126.648 3.118 . . . . 0.0 110.051 173.271 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -133.89 126.22 29.98 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-N 108.894 -3.776 . . . . 0.0 115.666 -161.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.0 tp -88.65 98.4 11.65 Favored 'General case' 0 C--O 1.181 -2.534 0 CA-C-O 123.381 1.562 . . . . 0.0 108.133 -175.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.274 1.5 pt -72.28 -5.14 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.822 0 C-N-CA 127.108 2.163 . . . . 0.0 115.858 -170.292 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.414 ' HA ' ' HD2' ' A' ' 88' ' ' PRO . 2.2 t30 -145.48 110.1 4.55 Favored Pre-proline 0 C--O 1.269 2.085 0 O-C-N 118.52 -2.612 . . . . 0.0 107.213 167.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 87' ' ' ASN . 72.2 Cg_exo -48.11 -32.47 18.8 Favored 'Trans proline' 0 N--CA 1.5 1.872 1 C-N-CA 131.099 7.866 . . . . 0.0 119.007 169.061 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -56.56 -41.82 89.57 Favored Glycine 0 C--N 1.362 2.008 0 CA-C-N 111.153 -2.749 . . . . 0.0 118.844 173.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.1 128.45 35.87 Favored 'General case' 0 N--CA 1.423 -1.814 0 C-N-CA 130.024 3.329 . . . . 0.0 115.308 177.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -140.54 -4.82 1.24 Allowed 'General case' 0 N--CA 1.526 3.362 0 CA-C-N 122.787 2.539 . . . . 0.0 115.74 175.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -110.72 146.38 36.38 Favored 'General case' 0 CA--C 1.474 -1.969 0 C-N-CA 124.915 1.286 . . . . 0.0 111.531 171.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.4 pt -47.14 -31.59 1.89 Allowed 'Isoleucine or valine' 0 C--O 1.272 2.282 1 O-C-N 114.786 -4.946 . . . . 0.0 118.226 177.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.2 p -60.58 -20.78 61.51 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 120.79 -1.194 . . . . 0.0 113.214 174.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -131.42 -10.79 3.62 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 115.613 1.708 . . . . 0.0 115.613 177.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 86.2 m -57.15 121.4 9.97 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 117.469 2.396 . . . . 0.0 117.469 169.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -137.01 158.39 44.57 Favored 'General case' 0 C--N 1.386 2.185 0 O-C-N 119.396 -2.065 . . . . 0.0 111.706 -175.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -147.74 153.54 39.39 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 118.327 -1.349 . . . . 0.0 111.56 -155.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -133.36 149.17 51.87 Favored 'General case' 0 CA--C 1.574 1.89 0 CA-C-O 123.456 1.598 . . . . 0.0 112.38 166.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.431 ' O ' ' HD2' ' A' ' 101' ' ' ARG . 1.7 m-20 -81.19 151.87 27.98 Favored 'General case' 0 C--N 1.389 2.308 0 CA-C-N 108.899 -3.773 . . . . 0.0 111.206 -174.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.431 ' HD2' ' O ' ' A' ' 100' ' ' ASP . 3.8 mpt_? -159.24 88.69 2.07 Favored Pre-proline 0 N--CA 1.516 2.857 0 C-N-CA 130.118 3.367 . . . . 0.0 113.28 -174.134 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -87.87 163.98 7.5 Favored 'Trans proline' 0 C--O 1.265 1.832 0 C-N-CA 124.192 3.261 . . . . 0.0 115.469 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -164.77 178.94 39.73 Favored Glycine 0 N--CA 1.432 -1.626 0 N-CA-C 117.441 1.736 . . . . 0.0 117.441 -177.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -144.4 114.18 7.24 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-N 121.846 2.823 . . . . 0.0 110.198 166.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.416 ' HB2' HD21 ' A' ' 80' ' ' LEU . 86.7 mtm-85 -144.61 164.29 31.38 Favored 'General case' 0 CA--C 1.593 2.598 0 CA-C-O 112.793 -3.48 . . . . 0.0 112.16 -163.503 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -72.56 176.9 5.04 Favored 'General case' 0 CA--C 1.501 -0.942 0 O-C-N 127.003 2.689 . . . . 0.0 114.203 158.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -150.11 159.74 44.18 Favored 'General case' 0 N--CA 1.507 2.405 0 C-N-CA 118.22 -1.392 . . . . 0.0 113.152 -176.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.5 t -137.82 118.03 16.02 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.314 0 CA-C-O 123.12 1.438 . . . . 0.0 108.578 -174.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.3 m -129.7 163.33 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.351 0 CA-C-N 113.823 -1.535 . . . . 0.0 113.611 -177.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -123.68 150.07 44.7 Favored 'General case' 0 CA--C 1.572 1.806 0 O-C-N 119.739 -1.851 . . . . 0.0 108.739 -177.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 68.2 m -142.68 163.68 32.15 Favored 'General case' 0 N--CA 1.514 2.774 0 CA-C-N 121.399 1.909 . . . . 0.0 115.027 -160.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -156.6 -179.45 8.2 Favored 'General case' 0 N--CA 1.425 -1.677 0 O-C-N 119.279 -2.138 . . . . 0.0 112.806 -167.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . 0.279 31.3 t-20 -51.83 152.03 3.17 Favored 'General case' 0 N--CA 1.514 2.772 0 CA-C-O 127.509 3.528 . . . . 0.0 107.679 177.417 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -57.07 159.69 4.14 Favored 'General case' 0 CA--C 1.604 3.031 0 O-C-N 116.764 -3.71 . . . . 0.0 110.085 164.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -63.59 147.18 95.95 Favored Pre-proline 0 C--N 1.347 0.467 0 N-CA-C 118.176 2.658 . . . . 0.0 118.176 156.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -60.05 -22.24 68.62 Favored 'Trans proline' 0 N--CA 1.488 1.147 0 C-N-CA 123.397 2.731 . . . . 0.0 116.858 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 38.9 mtm105 -142.1 29.46 1.65 Allowed 'General case' 0 N--CA 1.502 2.168 0 CA-C-O 116.434 -1.746 . . . . 0.0 110.461 -158.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -148.58 140.91 24.18 Favored 'General case' 0 N--CA 1.515 2.814 0 CA-C-N 122.664 2.484 . . . . 0.0 111.256 171.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . 0.272 4.7 m 46.77 52.11 11.34 Favored Pre-proline 0 CA--C 1.549 0.911 0 CA-C-N 120.804 1.638 . . . . 0.0 113.791 162.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -37.36 -33.88 0.21 Allowed 'Trans proline' 0 C--N 1.373 1.857 1 C-N-CA 127.421 5.414 . . . . 0.0 114.434 175.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 49.8 tpt85 -59.03 -22.93 61.47 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 118.78 2.882 . . . . 0.0 118.78 -175.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . 0.329 30.2 m-85 -115.11 95.71 43.0 Favored Pre-proline 0 N--CA 1.509 2.485 1 O-C-N 129.37 4.169 . . . . 0.0 109.414 -176.308 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -73.08 -22.43 19.4 Favored 'Trans proline' 0 CA--C 1.57 2.32 0 N-CA-C 114.847 1.056 . . . . 0.0 114.847 -170.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . 0.256 4.3 m -129.87 144.28 38.52 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.813 0 C-N-CA 126.255 1.822 . . . . 0.0 113.559 167.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 25.0 m -143.18 162.48 42.72 Favored Pre-proline 0 C--O 1.259 1.573 0 C-N-CA 124.996 1.319 . . . . 0.0 110.981 -167.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -74.58 146.65 34.82 Favored 'Trans proline' 0 C--N 1.4 3.238 0 C-N-CA 124.204 3.269 . . . . 0.0 111.559 175.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 35.7 m -124.82 -23.33 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 N-CA-C 118.706 2.854 . . . . 0.0 118.706 176.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -152.54 170.79 19.31 Favored 'General case' 0 C--N 1.39 2.35 0 O-C-N 118.242 -2.786 . . . . 0.0 112.877 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 24.4 tp -129.37 151.62 49.82 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 126.765 2.026 . . . . 0.0 107.347 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -121.84 -50.14 2.07 Favored 'General case' 0 N--CA 1.515 2.781 0 CA-C-O 127.62 3.581 . . . . 0.0 115.316 -168.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.3 t -164.74 172.89 12.45 Favored 'General case' 0 N--CA 1.519 2.997 0 O-C-N 117.256 -3.403 . . . . 0.0 109.17 -173.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 76.1 p -150.78 135.07 16.98 Favored 'General case' 0 C--O 1.279 2.625 0 C-N-CA 126.863 2.065 . . . . 0.0 105.85 177.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.441 ' N ' HD13 ' A' ' 133' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.952 0 O-C-N 125.985 2.053 . . . . 0.0 112.741 -160.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo . . . . . 0 N--CA 1.43 -2.256 0 N-CA-C 115.323 1.24 . . . . 0.0 115.323 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.274 21.2 Cg_exo -57.24 -22.25 47.83 Favored 'Trans proline' 0 N--CA 1.448 -1.165 0 C-N-CA 124.453 3.435 . . . . 0.0 115.666 -173.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -132.06 -12.85 3.21 Favored 'General case' 0 N--CA 1.516 2.825 0 CA-C-N 123.621 2.919 . . . . 0.0 113.855 176.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -126.9 179.92 5.15 Favored 'General case' 0 C--O 1.19 -2.071 0 O-C-N 117.88 -3.012 . . . . 0.0 111.038 -176.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.7 p -79.29 167.66 20.61 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.088 -1.632 . . . . 0.0 110.753 152.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -64.04 -51.8 62.43 Favored 'General case' 0 N--CA 1.498 1.973 0 CA-C-O 123.441 1.591 . . . . 0.0 111.836 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.2 -43.37 98.37 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.527 -1.358 . . . . 0.0 110.268 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -63.29 -37.83 88.77 Favored 'General case' 0 CA--C 1.558 1.269 0 O-C-N 118.251 -2.78 . . . . 0.0 116.068 175.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.7 t-105 -56.59 -39.63 73.86 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 121.669 3.951 . . . . 0.0 121.669 165.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -52.49 -48.99 65.61 Favored 'General case' 0 C--O 1.249 1.028 0 C-N-CA 126.641 1.976 . . . . 0.0 112.702 161.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.4 -44.23 96.95 Favored 'General case' 0 N--CA 1.405 -2.712 0 O-C-N 119.242 -2.161 . . . . 0.0 112.302 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 52.3 mt -58.24 -27.55 32.73 Favored 'Isoleucine or valine' 0 C--N 1.401 2.815 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . 0.264 56.3 mt-30 -99.79 -22.61 15.28 Favored 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 174.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -133.23 2.43 3.58 Favored 'General case' 0 C--N 1.378 1.815 0 CA-C-O 114.446 -2.692 . . . . 0.0 116.464 -168.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.8 mm -128.51 127.8 67.36 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-O 124.388 2.042 . . . . 0.0 106.468 -178.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.7 m -169.8 120.77 0.67 Allowed 'General case' 0 CA--C 1.479 -1.786 0 O-C-N 119.923 -1.736 . . . . 0.0 113.04 178.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 tp -67.53 -28.29 67.68 Favored 'General case' 0 C--N 1.389 2.297 0 N-CA-C 118.622 2.823 . . . . 0.0 118.622 -178.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -150.73 73.95 8.72 Favored Pre-proline 0 CA--C 1.56 1.347 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -67.09 151.14 82.14 Favored 'Trans proline' 0 CA--C 1.565 2.032 0 O-C-N 125.628 2.383 . . . . 0.0 109.05 -163.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -70.51 179.47 4.08 Favored 'Trans proline' 0 C--O 1.281 2.629 0 C-N-CA 124.336 3.357 . . . . 0.0 108.553 -173.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.431 ' HA ' ' OD1' ' A' ' 100' ' ' ASP . 46.3 mmt-85 -50.0 137.23 17.46 Favored 'General case' 0 N--CA 1.531 3.579 1 O-C-N 115.606 -4.434 . . . . 0.0 111.357 163.79 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.473 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . 95.7 m -53.66 -25.3 17.39 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 116.982 -3.573 . . . . 0.0 114.705 175.305 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.3 p -60.68 -29.0 69.04 Favored 'General case' 0 C--O 1.259 1.558 0 CA-C-O 115.293 -2.289 . . . . 0.0 109.593 169.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.4 mm -94.87 -37.47 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.265 0 CA-C-N 122.788 2.54 . . . . 0.0 111.264 167.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.475 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -63.44 -42.24 98.66 Favored 'General case' 0 C--N 1.28 -2.417 0 CA-C-N 121.292 1.86 . . . . 0.0 111.115 -171.448 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.513 ' HG3' ' CD1' ' A' ' 98' ' ' TYR . 71.7 mmm -61.14 -32.12 71.83 Favored 'General case' 0 C--N 1.312 -1.059 0 O-C-N 117.263 -3.398 . . . . 0.0 110.488 -177.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -51.48 -21.85 2.71 Favored 'General case' 0 N--CA 1.414 -2.264 0 C-N-CA 124.896 1.278 . . . . 0.0 111.283 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.83 -7.04 4.33 Favored 'General case' 0 C--O 1.278 2.56 0 O-C-N 117.39 -3.319 . . . . 0.0 114.571 175.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -137.89 -39.97 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 CA-C-N 114.386 -1.279 . . . . 0.0 112.274 171.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -74.64 -18.37 60.55 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.962 1.305 . . . . 0.0 113.426 -176.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.425 1.8 m120 -100.19 6.57 44.79 Favored 'General case' 0 C--O 1.212 -0.885 0 C-N-CA 127.957 2.503 . . . . 0.0 115.841 166.185 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -128.9 9.19 5.79 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-O 122.356 1.074 . . . . 0.0 112.522 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -136.07 161.39 35.83 Favored 'General case' 0 C--N 1.289 -2.049 0 O-C-N 118.44 -2.663 . . . . 0.0 107.514 175.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 -65.46 -21.78 66.68 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 119.116 -2.24 . . . . 0.0 114.687 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 70.6 mtt180 -134.36 166.05 23.74 Favored 'General case' 0 C--O 1.191 -2.005 0 CA-C-N 119.914 1.234 . . . . 0.0 113.681 172.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.6 m -67.24 120.95 14.63 Favored 'General case' 0 C--O 1.269 2.093 0 CA-C-N 113.546 -1.661 . . . . 0.0 110.858 170.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -75.04 137.65 41.63 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 127.858 2.463 . . . . 0.0 113.821 160.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -65.8 -40.58 92.03 Favored 'General case' 0 CA--C 1.558 1.27 0 N-CA-C 119.234 3.049 . . . . 0.0 119.234 -178.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -136.67 157.29 47.12 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-N 124.085 3.129 . . . . 0.0 112.281 177.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -151.83 152.7 32.98 Favored 'General case' 0 N--CA 1.526 3.351 0 CA-C-N 121.913 2.142 . . . . 0.0 115.272 155.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.2 m -114.96 148.82 38.25 Favored 'General case' 0 C--O 1.275 2.427 0 C-N-CA 125.173 1.389 . . . . 0.0 111.184 176.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.475 ' CZ ' ' HB1' ' A' ' 26' ' ' ALA . 13.3 m-85 -132.02 120.2 22.09 Favored 'General case' 0 N--CA 1.432 -1.348 0 C-N-CA 128.314 2.646 . . . . 0.0 110.709 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.5 mt -86.66 131.08 34.25 Favored 'General case' 0 N--CA 1.419 -2.01 0 C-N-CA 126.416 1.887 . . . . 0.0 111.747 178.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -91.75 51.13 1.8 Allowed 'General case' 0 C--O 1.253 1.287 0 C-N-CA 127.287 2.235 . . . . 0.0 112.292 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -139.02 165.47 27.03 Favored 'General case' 0 C--O 1.278 2.597 0 O-C-N 120.28 -1.513 . . . . 0.0 110.347 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.0 p -78.68 156.23 29.07 Favored 'General case' 0 C--O 1.197 -1.66 0 CA-C-N 122.056 2.207 . . . . 0.0 109.681 -167.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -61.51 -45.37 94.49 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 119.049 -1.061 . . . . 0.0 110.868 -170.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.88 -26.6 64.41 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-O 115.193 -2.337 . . . . 0.0 113.03 175.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -68.25 -31.87 71.65 Favored 'General case' 0 CA--C 1.583 2.227 0 C-N-CA 114.749 -2.78 . . . . 0.0 113.056 171.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.8 t -74.52 -30.08 24.94 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.913 0 C-N-CA 118.638 -1.225 . . . . 0.0 110.632 177.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.76 -40.5 81.54 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 CA-C-O 116.056 -1.926 . . . . 0.0 109.525 169.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -54.58 -30.88 55.71 Favored 'General case' 0 C--O 1.201 -1.483 0 CA-C-N 119.97 1.259 . . . . 0.0 112.571 170.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.4 t -81.58 -33.28 12.2 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.754 0 O-C-N 119.25 -2.156 . . . . 0.0 106.111 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 38.9 m -57.0 -14.66 3.81 Favored 'General case' 0 CA--C 1.573 1.838 0 N-CA-C 118.2 2.667 . . . . 0.0 118.2 161.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -81.47 -26.27 51.73 Favored Glycine 0 N--CA 1.504 3.193 0 C-N-CA 128.428 2.918 . . . . 0.0 116.749 171.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -67.29 156.78 35.53 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 128.574 2.75 . . . . 0.0 112.408 172.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -63.72 -179.57 0.39 Allowed 'General case' 0 CA--C 1.494 -1.184 0 CA-C-O 116.132 -1.889 . . . . 0.0 112.577 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 m -123.27 155.86 36.37 Favored 'General case' 0 CA--C 1.616 3.484 0 N-CA-C 116.69 2.107 . . . . 0.0 116.69 -167.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 pt -134.0 175.36 11.41 Favored 'Isoleucine or valine' 0 C--O 1.285 2.924 1 C-N-CA 131.887 4.075 . . . . 0.0 111.206 170.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -117.01 158.4 24.2 Favored 'General case' 0 CA--C 1.579 2.086 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 170.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 54.9 m -134.93 163.06 53.93 Favored Pre-proline 0 N--CA 1.508 2.434 0 C-N-CA 127.27 2.228 . . . . 0.0 112.732 -163.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . 0.308 31.5 Cg_exo -57.53 -18.72 33.45 Favored 'Trans proline' 0 C--N 1.372 1.796 0 N-CA-C 119.581 2.877 . . . . 0.0 119.581 -167.411 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -146.5 35.46 0.96 Allowed 'General case' 0 C--O 1.177 -2.725 0 CA-C-O 127.618 3.58 . . . . 0.0 115.55 -163.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -118.87 19.13 13.16 Favored 'General case' 0 N--CA 1.512 2.65 0 O-C-N 118.529 -2.607 . . . . 0.0 113.052 -152.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.1 ptt-85 -59.18 -42.49 90.95 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-O 115.816 -2.04 . . . . 0.0 110.601 -166.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.5 p -62.47 4.67 0.14 Allowed 'General case' 0 CA--C 1.611 3.309 0 CA-C-O 113.91 -2.948 . . . . 0.0 117.173 178.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 68' ' ' LEU . 1.6 pt? -147.79 -14.4 0.37 Allowed 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 121.258 1.844 . . . . 0.0 112.748 163.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 32.4 t30 46.82 41.02 9.88 Favored 'General case' 0 CA--C 1.58 2.128 0 CA-C-N 121.831 2.105 . . . . 0.0 115.48 -173.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -158.69 123.54 4.2 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 111.898 -2.41 . . . . 0.0 115.283 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.3 p -135.18 175.76 9.28 Favored 'General case' 0 C--O 1.272 2.262 0 C-N-CA 126.689 1.996 . . . . 0.0 107.801 164.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -147.67 145.36 28.89 Favored 'General case' 0 N--CA 1.498 1.954 0 CA-C-O 116.291 -1.814 . . . . 0.0 109.695 -171.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -123.48 152.31 41.83 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 125.257 1.423 . . . . 0.0 110.832 -175.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.0 p -79.11 160.6 26.98 Favored 'General case' 0 N--CA 1.5 2.048 0 C-N-CA 124.477 1.111 . . . . 0.0 113.133 -169.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -91.52 -11.18 38.14 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 117.579 -3.201 . . . . 0.0 109.193 -177.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -153.39 160.85 42.72 Favored 'General case' 0 C--O 1.208 -1.108 0 CA-C-N 120.751 1.614 . . . . 0.0 111.133 -174.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 32.4 mtm180 -67.65 146.57 53.7 Favored 'General case' 0 C--O 1.189 -2.115 0 O-C-N 118.912 -2.367 . . . . 0.0 109.369 175.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.7 m -129.69 155.36 80.48 Favored Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 119.998 -1.689 . . . . 0.0 113.309 165.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -68.26 165.93 27.01 Favored 'Trans proline' 0 CA--C 1.546 1.081 0 N-CA-C 107.048 -1.943 . . . . 0.0 107.048 171.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 pp -165.53 158.39 15.69 Favored 'General case' 0 N--CA 1.504 2.25 1 O-C-N 132.861 6.351 . . . . 0.0 111.506 -167.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 102' ' ' PRO 0.28 47.0 tp -121.54 127.97 51.53 Favored 'General case' 0 C--O 1.191 -2.009 0 O-C-N 125.676 1.86 . . . . 0.0 110.602 156.896 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -97.12 158.41 15.45 Favored 'General case' 0 C--O 1.182 -2.463 0 O-C-N 118.085 -2.884 . . . . 0.0 113.512 157.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 77.1 m -145.62 141.86 28.55 Favored 'General case' 0 C--O 1.183 -2.396 0 C-N-CA 127.436 2.294 . . . . 0.0 112.966 -169.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -148.04 117.94 7.17 Favored 'General case' 0 CA--C 1.581 2.14 0 CA-C-N 113.617 -1.629 . . . . 0.0 114.776 -150.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 88' ' ' PRO . 25.0 tp -66.71 80.77 0.1 Allowed 'General case' 0 CA--C 1.603 3.008 0 C-N-CA 124.642 1.177 . . . . 0.0 110.816 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 46.0 pt -52.55 -19.91 1.84 Allowed 'Isoleucine or valine' 0 C--O 1.189 -2.105 0 N-CA-C 117.43 2.381 . . . . 0.0 117.43 -169.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -117.53 99.97 52.55 Favored Pre-proline 0 N--CA 1.49 1.554 0 CA-C-O 115.896 -2.002 . . . . 0.0 105.647 159.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.457 ' HA ' HD23 ' A' ' 85' ' ' LEU 0.284 35.2 Cg_exo -54.41 -29.47 58.87 Favored 'Trans proline' 1 N--CA 1.393 -4.432 0 C-N-CA 122.144 1.896 . . . . 0.0 114.789 173.576 . . . . . . . . 4 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -57.8 22.08 0.02 OUTLIER Glycine 0 C--O 1.192 -2.483 1 C-N-CA 131.442 4.353 . . . . 0.0 114.866 172.131 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -132.5 137.84 47.33 Favored 'General case' 0 CA--C 1.568 1.648 0 CA-C-N 122.737 3.268 . . . . 0.0 115.254 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -130.38 -3.44 4.34 Favored 'General case' 0 C--N 1.379 1.87 0 N-CA-C 116.677 2.103 . . . . 0.0 116.677 177.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -120.77 130.29 53.96 Favored 'General case' 0 N--CA 1.404 -2.758 0 O-C-N 116.467 -3.896 . . . . 0.0 106.995 -175.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.292 21.8 pt -49.34 -23.12 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 N-CA-C 116.361 1.986 . . . . 0.0 116.361 176.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.0 p -59.16 -12.52 5.29 Favored 'General case' 0 CA--C 1.576 1.959 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 167.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -145.23 -17.35 0.49 Allowed 'General case' 0 N--CA 1.472 0.672 0 O-C-N 127.325 2.891 . . . . 0.0 115.504 -176.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 65.6 m -56.32 145.63 26.44 Favored 'General case' 0 C--N 1.406 3.046 0 O-C-N 119.335 -2.103 . . . . 0.0 111.459 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -141.22 149.64 41.64 Favored 'General case' 0 N--CA 1.506 2.346 0 O-C-N 126.208 2.192 . . . . 0.0 111.089 -174.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.513 ' CD1' ' HG3' ' A' ' 27' ' ' MET . 58.0 m-85 -140.0 -179.02 5.72 Favored 'General case' 0 C--O 1.277 2.525 0 N-CA-C 117.678 2.473 . . . . 0.0 117.678 -168.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -176.24 157.22 1.74 Allowed 'General case' 0 C--N 1.387 2.208 0 CA-C-O 124.34 2.019 . . . . 0.0 110.126 170.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.435 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -81.9 145.02 30.56 Favored 'General case' 0 C--O 1.289 3.16 0 N-CA-C 119.278 3.066 . . . . 0.0 119.278 -173.499 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -148.18 80.24 8.69 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 118.362 -2.711 . . . . 0.0 105.562 177.01 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 81' ' ' LEU . 57.8 Cg_endo -69.87 176.55 6.7 Favored 'Trans proline' 0 CA--C 1.49 -1.685 0 C-N-CA 123.838 3.025 . . . . 0.0 111.32 177.308 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 169.23 -170.37 42.51 Favored Glycine 0 C--N 1.392 3.642 0 CA-C-N 122.34 2.336 . . . . 0.0 115.962 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -145.22 120.19 10.01 Favored 'General case' 0 N--CA 1.432 -1.371 0 O-C-N 117.482 -3.364 . . . . 0.0 109.251 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 66.6 mtm-85 -150.34 172.64 15.08 Favored 'General case' 0 CA--C 1.466 -2.254 0 CA-C-N 121.065 1.757 . . . . 0.0 109.297 -178.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . 0.323 58.0 m-85 -72.89 178.68 4.11 Favored 'General case' 0 C--N 1.267 -3.01 0 O-C-N 118.257 -2.777 . . . . 0.0 112.828 157.115 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -138.64 156.96 46.98 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 126.802 2.041 . . . . 0.0 110.178 176.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.3 t -121.0 139.65 47.57 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.235 0 C-N-CA 127.58 2.352 . . . . 0.0 107.747 166.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.0 m -139.15 167.64 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 O-C-N 118.24 -2.787 . . . . 0.0 108.115 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -124.73 154.64 40.55 Favored 'General case' 0 CA--C 1.468 -2.203 0 CA-C-O 125.95 2.786 . . . . 0.0 104.842 166.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 86.2 m -144.99 170.09 16.83 Favored 'General case' 0 C--O 1.253 1.271 0 CA-C-N 112.606 -2.088 . . . . 0.0 110.182 -164.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -161.14 163.09 31.55 Favored 'General case' 0 N--CA 1.514 2.764 0 C-N-CA 129.552 3.141 . . . . 0.0 108.138 -172.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -42.03 154.36 0.05 Allowed 'General case' 0 CA--C 1.586 2.35 0 O-C-N 127.085 2.741 . . . . 0.0 107.534 160.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -68.85 158.59 34.17 Favored 'General case' 0 CA--C 1.494 -1.175 0 CA-C-O 124.984 2.326 . . . . 0.0 112.773 174.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -60.1 144.25 87.22 Favored Pre-proline 0 C--N 1.276 -2.605 0 O-C-N 119.657 -1.902 . . . . 0.0 115.994 172.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 99.7 Cg_exo -59.76 0.54 0.58 Allowed 'Trans proline' 0 CA--C 1.557 1.669 0 N-CA-C 118.084 2.302 . . . . 0.0 118.084 174.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -148.59 -3.64 0.46 Allowed 'General case' 0 C--O 1.199 -1.586 0 CA-C-N 122.031 2.196 . . . . 0.0 111.103 -170.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -133.92 139.82 46.4 Favored 'General case' 0 N--CA 1.519 2.976 0 O-C-N 120.134 -1.604 . . . . 0.0 114.892 -171.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.2 m 46.87 53.39 13.57 Favored Pre-proline 0 C--O 1.204 -1.297 0 N-CA-C 116.726 2.121 . . . . 0.0 116.726 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -56.6 -5.28 1.09 Allowed 'Trans proline' 0 N--CA 1.497 1.716 0 O-C-N 117.52 -1.884 . . . . 0.0 115.152 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.7 tpt85 -70.96 -10.59 59.99 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 128.659 2.784 . . . . 0.0 117.272 -168.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.14 143.74 17.97 Favored Pre-proline 0 CA--C 1.472 -2.036 0 C-N-CA 125.755 1.622 . . . . 0.0 114.577 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -76.12 -35.04 2.57 Favored 'Trans proline' 0 C--N 1.387 2.576 0 CA-C-O 115.575 -1.927 . . . . 0.0 113.57 -163.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 12.6 m -131.86 156.95 43.02 Favored 'Isoleucine or valine' 0 C--O 1.262 1.728 0 C-N-CA 125.969 1.708 . . . . 0.0 115.02 178.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 17.4 m -144.82 149.66 43.71 Favored Pre-proline 1 N--CA 1.539 4.015 0 C-N-CA 127.77 2.428 . . . . 0.0 109.697 -169.148 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -83.29 144.32 11.59 Favored 'Trans proline' 0 N--CA 1.526 3.396 0 N-CA-C 104.703 -2.845 . . . . 0.0 104.703 -176.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . 0.274 14.3 m -123.98 -12.97 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 CA-C-N 115.049 -0.978 . . . . 0.0 113.278 -174.451 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -155.71 135.09 12.36 Favored 'General case' 0 C--O 1.247 0.937 0 CA-C-O 114.285 -2.769 . . . . 0.0 113.474 -173.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 21.2 tp -85.58 120.44 27.03 Favored 'General case' 0 CA--C 1.494 -1.18 0 CA-C-N 123.559 2.89 . . . . 0.0 108.139 164.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -90.84 -42.37 10.68 Favored 'General case' 0 CA--C 1.563 1.467 0 CA-C-N 123.647 2.93 . . . . 0.0 108.638 -176.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 9.2 t -170.11 166.31 9.08 Favored 'General case' 0 N--CA 1.499 1.985 0 C-N-CA 123.978 0.911 . . . . 0.0 111.356 -175.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.3 p -138.69 121.88 16.93 Favored 'General case' 0 C--N 1.284 -2.244 0 C-N-CA 130.254 3.422 . . . . 0.0 112.254 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.48 -1.713 0 N-CA-C 121.158 3.762 . . . . 0.0 121.158 -159.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 31.2 Cg_exo . . . . . 0 CA--C 1.562 1.91 0 N-CA-C 118.159 2.33 . . . . 0.0 118.159 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 2' ' ' PRO . 54.1 Cg_exo -36.93 -16.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.5 1.901 1 C-N-CA 126.056 4.504 . . . . 0.0 119.236 174.711 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 5' ' ' PHE . 33.8 mt-30 -146.72 -10.77 0.46 Allowed 'General case' 0 C--N 1.406 3.063 0 CA-C-O 116.772 -1.585 . . . . 0.0 110.455 171.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 4' ' ' GLN . 22.8 m-85 -142.26 175.27 9.89 Favored 'General case' 0 CA--C 1.605 3.06 2 CA-C-N 127.679 4.763 . . . . 0.0 111.014 -168.563 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.6 p -78.99 159.03 27.83 Favored 'General case' 0 C--O 1.28 2.694 0 O-C-N 120.864 -1.148 . . . . 0.0 109.264 161.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -50.17 -49.18 53.12 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 118.004 -2.935 . . . . 0.0 113.52 165.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.77 -44.06 73.32 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 126.908 2.083 . . . . 0.0 110.736 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -79.95 -39.23 30.64 Favored 'General case' 0 C--O 1.197 -1.707 0 O-C-N 118.805 -2.434 . . . . 0.0 111.82 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.0 t-105 -55.05 -42.75 73.07 Favored 'General case' 0 N--CA 1.419 -2.014 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 167.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -54.85 -40.9 70.12 Favored 'General case' 0 CA--C 1.594 2.658 0 O-C-N 117.792 -3.068 . . . . 0.0 111.563 164.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.89 -33.49 39.88 Favored 'General case' 0 N--CA 1.427 -1.61 0 CA-C-N 123.677 2.944 . . . . 0.0 112.637 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.4 mt -60.54 -27.61 40.66 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.416 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 170.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -88.54 -23.54 23.14 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 172.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -144.06 -14.21 0.62 Allowed 'General case' 0 CA--C 1.572 1.819 0 CA-C-N 124.041 3.109 . . . . 0.0 111.287 -155.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.6 mm -134.46 125.47 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.017 -1.052 . . . . 0.0 112.349 -171.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . 0.356 13.4 m -164.41 154.08 13.92 Favored 'General case' 0 CA--C 1.48 -1.714 0 C-N-CA 126.937 2.095 . . . . 0.0 108.694 167.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.1 tp -86.22 -24.32 26.1 Favored 'General case' 0 C--O 1.181 -2.547 0 O-C-N 127.209 2.818 . . . . 0.0 116.454 -169.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -142.25 101.76 5.68 Favored Pre-proline 0 C--N 1.299 -1.624 0 C-N-CA 130.298 3.439 . . . . 0.0 109.185 146.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -73.41 163.77 36.84 Favored 'Trans proline' 0 C--N 1.381 2.245 0 CA-C-O 117.609 -1.08 . . . . 0.0 109.497 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -48.89 168.18 0.11 Allowed 'Trans proline' 1 C--N 1.437 5.202 1 C-N-CA 127.49 5.46 . . . . 0.0 116.541 163.222 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -65.03 155.15 35.62 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.265 -1.522 . . . . 0.0 109.598 155.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.461 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . 81.6 m -55.42 -27.01 45.16 Favored 'General case' 0 C--O 1.26 1.638 0 CA-C-N 113.418 -1.719 . . . . 0.0 113.386 -178.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.9 p -53.17 -31.59 43.47 Favored 'General case' 0 N--CA 1.509 2.509 0 N-CA-C 116.061 1.875 . . . . 0.0 116.061 172.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.0 mm -106.46 -53.44 6.68 Favored 'Isoleucine or valine' 1 C--O 1.15 -4.15 0 CA-C-N 111.757 -2.474 . . . . 0.0 110.373 177.062 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.536 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -39.26 -48.15 1.78 Allowed 'General case' 0 N--CA 1.424 -1.746 0 C-N-CA 129.502 3.121 . . . . 0.0 110.273 176.348 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 78.5 mmm -62.47 -36.17 81.63 Favored 'General case' 0 C--O 1.185 -2.309 0 C-N-CA 126.75 2.02 . . . . 0.0 111.769 -175.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.6 mtt-85 -57.97 -21.86 46.49 Favored 'General case' 0 N--CA 1.419 -2.021 0 O-C-N 119.958 -1.714 . . . . 0.0 110.497 -178.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.91 -8.18 0.93 Allowed 'General case' 0 C--N 1.284 -2.262 0 CA-C-N 124.225 3.193 . . . . 0.0 116.881 170.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.1 pt -142.36 -38.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.81 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -69.76 -23.07 63.32 Favored 'General case' 0 C--N 1.28 -2.414 0 CA-C-O 123.247 1.499 . . . . 0.0 109.809 -174.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -113.66 4.64 16.15 Favored 'General case' 0 CA--C 1.588 2.405 0 CA-C-O 115.778 -2.058 . . . . 0.0 112.801 -176.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -125.04 -36.6 2.52 Favored 'General case' 0 C--O 1.184 -2.352 0 O-C-N 126.643 2.464 . . . . 0.0 116.739 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -77.75 163.15 26.39 Favored 'General case' 0 N--CA 1.427 -1.583 0 O-C-N 117.837 -3.039 . . . . 0.0 113.2 152.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -64.94 -16.52 63.42 Favored 'General case' 0 CA--C 1.573 1.864 0 C-N-CA 126.394 1.878 . . . . 0.0 115.826 -171.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -143.41 164.41 30.38 Favored 'General case' 0 CA--C 1.454 -2.727 0 C-N-CA 125.174 1.39 . . . . 0.0 112.748 176.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 59.9 m -66.72 122.96 18.8 Favored 'General case' 1 N--CA 1.546 4.359 0 C-N-CA 130.033 3.333 . . . . 0.0 111.311 173.152 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -70.2 135.84 49.45 Favored 'General case' 0 C--N 1.271 -2.806 0 CA-C-O 117.439 -1.267 . . . . 0.0 111.107 167.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -75.63 -33.97 60.52 Favored 'General case' 0 C--O 1.206 -1.202 0 O-C-N 127.715 3.134 . . . . 0.0 112.828 -177.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -132.42 161.08 34.56 Favored 'General case' 0 CA--C 1.592 2.571 0 CA-C-N 124.261 3.21 . . . . 0.0 109.24 171.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -152.76 170.39 20.42 Favored 'General case' 1 N--CA 1.553 4.713 0 O-C-N 118.418 -2.676 . . . . 0.0 110.584 157.402 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 82' ' ' HIS . 9.1 m -145.68 139.85 26.86 Favored 'General case' 0 C--O 1.244 0.767 0 N-CA-C 103.745 -2.687 . . . . 0.0 103.745 178.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.536 ' CZ ' ' HB1' ' A' ' 26' ' ' ALA . 84.6 m-85 -124.41 129.01 49.91 Favored 'General case' 0 C--N 1.288 -2.084 0 C-N-CA 126.47 1.908 . . . . 0.0 109.741 178.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 mp -108.17 153.2 23.52 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 122.788 2.54 . . . . 0.0 111.058 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -101.93 61.81 0.89 Allowed 'General case' 0 C--O 1.265 1.894 0 C-N-CA 128.318 2.647 . . . . 0.0 113.763 -175.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.1 t -141.39 152.47 44.36 Favored 'General case' 0 C--O 1.19 -2.074 0 C-N-CA 128.601 2.761 . . . . 0.0 110.54 176.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.3 p -61.46 144.73 53.68 Favored 'General case' 0 N--CA 1.501 2.089 0 C-N-CA 129.594 3.158 . . . . 0.0 111.947 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -48.17 -42.95 31.06 Favored 'General case' 0 C--O 1.262 1.741 0 CA-C-O 114.399 -2.715 . . . . 0.0 110.48 160.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.83 -36.99 63.13 Favored 'General case' 0 C--O 1.275 2.444 0 O-C-N 126.727 2.517 . . . . 0.0 115.728 176.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.257 22.4 t-20 -67.91 -38.94 83.58 Favored 'General case' 0 C--O 1.258 1.55 0 N-CA-C 117.365 2.357 . . . . 0.0 117.365 168.007 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.2 t -62.77 -50.77 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.862 0 CA-C-O 115.716 -2.088 . . . . 0.0 109.025 173.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 42.6 t -54.64 -37.03 37.97 Favored 'Isoleucine or valine' 0 C--N 1.368 1.408 0 C-N-CA 128.906 2.882 . . . . 0.0 111.817 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -62.14 -53.68 51.94 Favored 'General case' 0 C--O 1.263 1.811 0 O-C-N 128.462 3.601 . . . . 0.0 111.218 170.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.1 t -57.34 -37.16 55.55 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.682 0 C-N-CA 126.841 2.056 . . . . 0.0 111.752 176.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 71.2 m -61.3 -18.0 56.39 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-O 114.399 -2.715 . . . . 0.0 112.792 172.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.45 -11.9 49.92 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 125.347 1.654 . . . . 0.0 115.884 173.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -48.97 162.85 0.1 Allowed 'General case' 0 CA--C 1.593 2.618 0 O-C-N 117.83 -3.159 . . . . 0.0 110.024 161.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -57.14 156.92 6.56 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-O 127.49 3.519 . . . . 0.0 110.342 -174.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.8 m -102.93 138.17 40.17 Favored 'General case' 0 N--CA 1.483 1.191 0 O-C-N 117.181 -3.449 . . . . 0.0 110.006 -172.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 9.1 pt -134.73 -172.57 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.715 0 C-N-CA 126.435 1.894 . . . . 0.0 112.557 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.9 ptt-85 -122.0 160.27 25.26 Favored 'General case' 0 C--O 1.255 1.382 0 CA-C-N 120.366 1.439 . . . . 0.0 114.743 166.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 90.7 m -134.56 169.6 13.43 Favored Pre-proline 0 C--N 1.285 -2.202 0 O-C-N 125.93 2.019 . . . . 0.0 110.875 -170.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -62.39 -34.7 75.97 Favored 'Trans proline' 0 N--CA 1.422 -2.7 0 N-CA-C 116.594 1.728 . . . . 0.0 116.594 -169.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 50.4 m170 -122.53 53.34 1.26 Allowed 'General case' 0 CA--C 1.561 1.395 0 CA-C-O 126.639 3.114 . . . . 0.0 111.901 -170.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -134.57 -2.29 2.73 Favored 'General case' 0 C--O 1.267 1.99 1 O-C-N 114.32 -5.237 . . . . 0.0 114.401 -142.255 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . 0.258 38.8 ptt180 -52.69 -36.03 56.51 Favored 'General case' 0 CA--C 1.556 1.202 0 N-CA-C 118.806 2.891 . . . . 0.0 118.806 -172.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 62.8 p -81.64 -3.24 52.95 Favored 'General case' 0 CA--C 1.483 -1.621 0 C-N-CA 129.592 3.157 . . . . 0.0 112.619 -166.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.567 HD11 ' HB1' ' A' ' 110' ' ' ALA 0.301 2.7 pt? -134.19 -17.24 2.11 Favored 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 115.528 -2.177 . . . . 0.0 112.81 159.225 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.271 59.8 t30 31.59 46.52 0.05 Allowed 'General case' 0 CA--C 1.586 2.354 0 C-N-CA 127.091 2.156 . . . . 0.0 112.551 -167.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -149.8 125.95 10.67 Favored 'General case' 0 CA--C 1.571 1.755 0 O-C-N 128.082 3.364 . . . . 0.0 108.403 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 32.0 p -148.87 162.47 39.77 Favored 'General case' 0 N--CA 1.496 1.862 1 O-C-N 116.201 -4.062 . . . . 0.0 112.43 169.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -140.18 150.18 43.88 Favored 'General case' 0 N--CA 1.508 2.47 1 O-C-N 115.594 -4.441 . . . . 0.0 109.178 -171.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -126.61 140.84 52.12 Favored 'General case' 0 CA--C 1.615 3.462 0 C-N-CA 125.997 1.719 . . . . 0.0 110.886 -173.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 51.3 p -56.43 141.92 40.46 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 117.81 2.522 . . . . 0.0 117.81 -177.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.9 mtt-85 -75.53 -10.68 59.66 Favored 'General case' 0 N--CA 1.532 3.658 0 CA-C-N 110.233 -3.167 . . . . 0.0 109.922 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -162.71 166.29 24.57 Favored 'General case' 0 N--CA 1.514 2.73 0 C-N-CA 131.366 3.866 . . . . 0.0 114.751 -176.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 -77.93 158.08 29.5 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.591 1.956 . . . . 0.0 107.424 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.0 m -135.7 152.25 75.75 Favored Pre-proline 0 C--O 1.276 2.451 0 O-C-N 119.582 -1.949 . . . . 0.0 107.712 176.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -63.76 145.04 90.47 Favored 'Trans proline' 0 CA--C 1.473 -2.57 0 C-N-CA 121.887 1.725 . . . . 0.0 110.323 167.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 pp -154.66 175.52 13.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 117.467 -3.271 . . . . 0.0 108.721 -174.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.9 tp -149.51 112.27 4.8 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-O 127.179 3.371 . . . . 0.0 106.906 -175.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 58.2 t60 -86.68 151.09 23.71 Favored 'General case' 0 C--N 1.384 2.07 0 C-N-CA 129.511 3.125 . . . . 0.0 108.873 173.067 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 99.2 m -137.75 142.5 40.95 Favored 'General case' 0 N--CA 1.508 2.439 0 CA-C-N 111.859 -2.428 . . . . 0.0 111.355 -178.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . 0.271 13.8 t0 -139.55 154.09 47.57 Favored 'General case' 0 CA--C 1.568 1.672 0 CA-C-N 113.98 -1.464 . . . . 0.0 114.061 -171.209 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.9 tp -103.78 138.77 39.93 Favored 'General case' 0 C--O 1.304 3.941 0 N-CA-C 104.625 -2.361 . . . . 0.0 104.625 -169.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.332 1.2 pp -81.82 -23.95 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.136 0 O-C-N 119.657 -1.902 . . . . 0.0 112.136 -173.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -123.3 83.83 52.08 Favored Pre-proline 0 CA--C 1.493 -1.212 0 O-C-N 118.979 -2.326 . . . . 0.0 111.225 -172.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . 0.25 26.3 Cg_exo -47.67 19.98 0.01 OUTLIER 'Trans proline' 0 N--CA 1.515 2.783 1 C-N-CA 127.193 5.262 . . . . 0.0 120.148 177.905 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -133.86 -10.43 1.79 Allowed Glycine 0 C--O 1.193 -2.409 0 C-N-CA 127.795 2.617 . . . . 0.0 115.785 170.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.03 133.56 55.48 Favored 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 126.444 1.897 . . . . 0.0 111.593 164.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -141.96 -4.22 1.07 Allowed 'General case' 0 CA--C 1.593 2.622 0 CA-C-O 113.804 -2.998 . . . . 0.0 111.73 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -115.75 136.45 53.04 Favored 'General case' 0 CA--C 1.562 1.442 0 CA-C-N 125.035 3.561 . . . . 0.0 111.405 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.419 HG21 HD13 ' A' ' 93' ' ' ILE . 29.1 pt -48.9 -37.59 9.39 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.875 0 C-N-CA 129.285 3.034 . . . . 0.0 113.011 -175.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.2 p -51.49 -19.2 1.33 Allowed 'General case' 0 N--CA 1.508 2.454 0 O-C-N 116.729 -3.732 . . . . 0.0 116.297 165.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -137.82 -22.28 1.09 Allowed 'General case' 0 CA--C 1.59 2.485 0 CA-C-N 121.125 1.784 . . . . 0.0 114.004 -165.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 77.7 m -69.47 132.31 46.12 Favored 'General case' 0 C--O 1.278 2.583 0 C-N-CA 128.423 2.689 . . . . 0.0 115.766 173.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -139.7 153.56 47.26 Favored 'General case' 0 C--N 1.386 2.183 0 C-N-CA 128.049 2.539 . . . . 0.0 109.182 -177.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -128.29 166.19 19.09 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 116.958 2.207 . . . . 0.0 116.958 -169.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -148.95 159.3 44.33 Favored 'General case' 0 N--CA 1.513 2.679 0 N-CA-C 107.038 -1.468 . . . . 0.0 107.038 170.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -85.9 146.69 26.6 Favored 'General case' 0 CA--C 1.488 -1.405 0 C-N-CA 129.86 3.264 . . . . 0.0 112.841 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -141.66 75.43 21.87 Favored Pre-proline 0 C--N 1.352 0.697 0 O-C-N 118.825 -2.422 . . . . 0.0 107.573 167.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -58.4 157.8 25.21 Favored 'Trans proline' 0 C--N 1.398 3.169 0 N-CA-C 117.332 2.012 . . . . 0.0 117.332 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -166.46 -175.93 37.16 Favored Glycine 0 C--N 1.369 2.364 0 N-CA-C 120.343 2.897 . . . . 0.0 120.343 -173.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -151.92 103.98 2.96 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 127.296 2.239 . . . . 0.0 113.979 172.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 59.8 mtm-85 -138.57 166.16 25.03 Favored 'General case' 0 N--CA 1.52 3.05 0 O-C-N 118.458 -2.651 . . . . 0.0 114.741 -175.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -70.18 167.03 18.73 Favored 'General case' 0 N--CA 1.519 2.978 0 CA-C-N 120.191 1.36 . . . . 0.0 109.208 164.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -139.17 160.41 39.86 Favored 'General case' 0 C--N 1.381 1.937 1 O-C-N 114.669 -5.019 . . . . 0.0 117.249 177.461 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 25.2 t -132.78 133.99 58.76 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 CA-C-N 109.905 -3.316 . . . . 0.0 110.231 -174.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.5 m -136.34 147.16 27.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 124.744 1.278 . . . . 0.0 112.298 -173.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.567 ' HB1' HD11 ' A' ' 68' ' ' LEU . . . -95.23 157.77 15.75 Favored 'General case' 0 N--CA 1.521 3.088 0 O-C-N 118.131 -2.855 . . . . 0.0 108.902 158.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 30.4 m -150.25 143.9 25.25 Favored 'General case' 0 CA--C 1.584 2.254 0 C-N-CA 128.578 2.751 . . . . 0.0 111.519 -162.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -152.21 165.76 33.84 Favored 'General case' 0 CA--C 1.589 2.478 0 CA-C-N 121.164 1.802 . . . . 0.0 113.686 -168.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -48.44 137.71 11.1 Favored 'General case' 0 C--O 1.259 1.553 0 C-N-CA 126.48 1.912 . . . . 0.0 111.529 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.425 ' HD2' ' HA ' ' A' ' 123' ' ' PRO . 8.1 ptm180 -42.09 152.58 0.08 Allowed 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 121.464 3.876 . . . . 0.0 121.464 170.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -70.87 122.56 87.22 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 118.504 -2.623 . . . . 0.0 107.812 164.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -48.74 -34.93 29.0 Favored 'Trans proline' 0 C--N 1.368 1.583 1 C-N-CA 125.713 4.275 . . . . 0.0 117.872 -177.085 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 -110.35 18.26 20.03 Favored 'General case' 0 N--CA 1.507 2.377 0 O-C-N 120.692 -1.255 . . . . 0.0 112.102 -168.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -144.78 146.29 32.06 Favored 'General case' 0 N--CA 1.419 -1.978 0 O-C-N 118.484 -2.635 . . . . 0.0 113.707 -172.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . 0.318 6.5 m 50.28 51.46 10.7 Favored Pre-proline 0 CA--C 1.595 2.685 0 N-CA-C 119.515 3.154 . . . . 0.0 119.515 161.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -86.57 19.26 1.42 Allowed 'Trans proline' 0 C--N 1.383 2.377 0 CA-C-N 121.351 1.518 . . . . 0.0 112.87 -160.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -75.1 0.59 15.65 Favored 'General case' 0 CA--C 1.571 1.765 0 O-C-N 118.066 -2.896 . . . . 0.0 116.014 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -146.83 153.27 46.04 Favored Pre-proline 0 C--N 1.377 1.787 0 O-C-N 128.105 3.378 . . . . 0.0 110.291 175.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.425 ' HA ' ' HD2' ' A' ' 114' ' ' ARG . 58.1 Cg_endo -84.26 -15.31 6.6 Favored 'Trans proline' 0 C--O 1.266 1.884 1 C-N-CA 126.546 4.83 . . . . 0.0 112.929 173.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 9.3 m -133.39 166.26 29.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 CA-C-N 118.93 0.786 . . . . 0.0 112.268 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 22.2 m -147.04 153.5 45.47 Favored Pre-proline 0 N--CA 1.535 3.795 0 C-N-CA 126.872 2.069 . . . . 0.0 109.816 -176.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -63.31 152.04 81.86 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 124.679 3.586 . . . . 0.0 113.407 170.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 22.9 m -141.7 -11.33 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.523 3.217 0 C-N-CA 115.665 -2.414 . . . . 0.0 116.389 -177.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -164.19 145.65 8.63 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 113.647 -1.615 . . . . 0.0 112.26 -177.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 20.6 tp -102.18 134.13 45.93 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 116.23 -1.843 . . . . 0.0 113.867 172.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -103.28 -54.28 2.64 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 124.974 1.421 . . . . 0.0 110.819 -171.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.9 t -161.06 169.96 21.43 Favored 'General case' 0 C--N 1.379 1.851 0 CA-C-N 114.232 -1.349 . . . . 0.0 112.387 -175.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 43.1 p -137.28 143.75 42.33 Favored 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 126.161 2.163 . . . . 0.0 110.766 165.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.253 0.2 OUTLIER . . . . . 0 C--O 1.269 2.112 0 N-CA-C 117.331 2.345 . . . . 0.0 117.331 -161.332 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo . . . . . 0 CA--C 1.572 2.402 0 N-CA-C 115.287 1.226 . . . . 0.0 115.287 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -70.22 -11.21 29.82 Favored 'Trans proline' 0 N--CA 1.416 -3.08 0 C-N-CA 122.844 2.362 . . . . 0.0 112.954 -159.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -145.96 24.18 1.34 Allowed 'General case' 0 CA--C 1.624 3.806 0 O-C-N 119.516 -1.99 . . . . 0.0 113.716 166.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -140.48 155.94 46.51 Favored 'General case' 0 CA--C 1.555 1.146 1 CA-C-O 128.588 4.042 . . . . 0.0 111.58 -175.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.3 p -71.6 159.34 34.6 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 116.31 -3.994 . . . . 0.0 113.418 145.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -60.56 -49.46 77.44 Favored 'General case' 0 C--N 1.361 1.085 0 CA-C-O 111.724 -3.989 . . . . 0.0 111.375 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.439 ' HB2' ' HB ' ' A' ' 125' ' ' VAL 0.277 . . -45.25 -53.15 8.69 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 127.618 3.074 . . . . 0.0 112.11 172.672 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -65.94 -35.26 80.12 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 119.79 -1.819 . . . . 0.0 114.617 -178.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -80.09 -32.55 39.22 Favored 'General case' 0 N--CA 1.499 2.02 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.254 174.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -59.76 -36.02 75.79 Favored 'General case' 0 C--O 1.275 2.434 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 164.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.28 -52.39 14.14 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 120.596 -1.315 . . . . 0.0 109.974 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.8 mt -56.79 -32.0 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.556 0 O-C-N 116.505 -3.872 . . . . 0.0 109.702 -178.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -81.14 -18.9 44.8 Favored 'General case' 0 N--CA 1.519 2.992 0 N-CA-C 116.95 2.204 . . . . 0.0 116.95 176.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -153.84 -9.0 0.15 Allowed 'General case' 0 C--O 1.187 -2.219 0 CA-C-O 113.803 -2.998 . . . . 0.0 116.388 -168.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.4 mm -134.91 102.18 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 127.956 3.285 . . . . 0.0 108.381 -176.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.1 m -154.01 104.73 2.67 Favored 'General case' 0 N--CA 1.486 1.346 1 O-C-N 129.771 4.419 . . . . 0.0 107.071 -159.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.7 tp -76.83 -31.27 56.78 Favored 'General case' 0 C--O 1.253 1.28 0 CA-C-O 114.699 -2.572 . . . . 0.0 113.245 -165.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -143.36 50.83 1.47 Allowed Pre-proline 0 N--CA 1.512 2.631 0 CA-C-N 121.903 2.138 . . . . 0.0 110.893 -173.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -69.26 161.25 46.6 Favored 'Trans proline' 0 C--N 1.296 -2.198 1 C-N-CA 129.368 6.712 . . . . 0.0 116.817 -166.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -81.7 179.89 5.37 Favored 'Trans proline' 0 N--CA 1.413 -3.215 0 C-N-CA 124.558 3.505 . . . . 0.0 108.923 173.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -73.09 172.41 11.1 Favored 'General case' 0 C--N 1.374 1.651 0 C-N-CA 118.36 -1.336 . . . . 0.0 110.987 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 77.1 m -60.82 -25.65 66.76 Favored 'General case' 0 CA--C 1.575 1.91 0 CA-C-O 114.516 -2.659 . . . . 0.0 111.169 -177.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.4 p -47.95 -31.5 5.31 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 128.355 2.662 . . . . 0.0 112.36 168.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.3 mm -115.21 -47.01 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 CA-C-O 122.927 1.346 . . . . 0.0 110.544 -177.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.7 -28.58 68.75 Favored 'General case' 0 C--O 1.267 1.983 0 C-N-CA 130.391 3.476 . . . . 0.0 111.01 -168.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 87.3 mmm -64.49 -32.46 74.1 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 173.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -56.62 -29.58 62.35 Favored 'General case' 0 N--CA 1.509 2.515 0 O-C-N 124.385 1.053 . . . . 0.0 113.229 -166.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -12.61 15.49 Favored 'General case' 0 C--O 1.252 1.227 0 C-N-CA 126.95 2.1 . . . . 0.0 113.928 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.5 pt -129.02 -38.22 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 N-CA-C 104.997 -2.223 . . . . 0.0 104.997 173.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -78.28 -28.44 47.58 Favored 'General case' 0 N--CA 1.511 2.597 0 CA-C-N 123.57 2.896 . . . . 0.0 114.044 -171.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -89.69 -33.88 16.45 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 165.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -80.06 -37.24 34.28 Favored 'General case' 0 C--O 1.169 -3.175 0 C-N-CA 127.648 2.379 . . . . 0.0 111.211 -174.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 -86.42 167.42 14.72 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 124.706 1.202 . . . . 0.0 111.406 170.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.22 -12.04 60.45 Favored 'General case' 0 N--CA 1.52 3.041 0 N-CA-C 117.489 2.403 . . . . 0.0 117.489 -165.383 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -152.13 153.2 33.42 Favored 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 130.707 3.603 . . . . 0.0 107.287 -174.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 83.4 m -57.37 124.4 18.78 Favored 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 130.21 3.404 . . . . 0.0 115.703 162.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -75.17 145.0 42.47 Favored 'General case' 0 CA--C 1.589 2.457 0 C-N-CA 125.484 1.513 . . . . 0.0 114.272 163.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -78.1 -30.25 49.4 Favored 'General case' 0 C--N 1.297 -1.705 0 C-N-CA 129.754 3.221 . . . . 0.0 110.842 -169.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -151.57 150.22 30.06 Favored 'General case' 0 CA--C 1.612 3.333 1 C-N-CA 132.715 4.406 . . . . 0.0 114.154 -174.206 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -147.87 169.07 20.62 Favored 'General case' 0 C--O 1.205 -1.255 0 C-N-CA 117.08 -1.848 . . . . 0.0 115.393 158.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.8 m -129.77 132.33 46.52 Favored 'General case' 0 N--CA 1.507 2.417 0 C-N-CA 127.365 2.266 . . . . 0.0 110.966 169.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -119.48 135.3 54.83 Favored 'General case' 0 N--CA 1.443 -0.82 0 O-C-N 123.956 0.785 . . . . 0.0 112.009 164.503 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.1 mp -98.33 133.95 42.02 Favored 'General case' 0 N--CA 1.392 -3.333 0 CA-C-O 124.153 1.93 . . . . 0.0 107.65 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . 0.259 71.5 mtp180 -76.66 56.43 1.14 Allowed 'General case' 0 C--O 1.194 -1.822 0 N-CA-C 118.428 2.751 . . . . 0.0 118.428 167.461 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.3 t -133.0 178.84 6.57 Favored 'General case' 0 CA--C 1.577 2.013 0 C-N-CA 124.296 1.038 . . . . 0.0 113.737 172.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.7 p -97.59 157.93 15.76 Favored 'General case' 0 C--N 1.289 -2.064 0 O-C-N 118.171 -2.83 . . . . 0.0 107.698 -169.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -56.9 -40.65 76.66 Favored 'General case' 0 CA--C 1.59 2.496 0 C-N-CA 127.393 2.277 . . . . 0.0 111.705 175.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.65 91.57 Favored 'General case' 0 C--O 1.2 -1.531 0 CA-C-O 117.893 -1.051 . . . . 0.0 112.253 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -49.35 -42.31 41.47 Favored 'General case' 0 C--O 1.268 2.051 0 C-N-CA 125.088 1.355 . . . . 0.0 110.631 171.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . 0.287 1.4 t -63.69 -50.16 79.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 CA-C-O 115.263 -2.303 . . . . 0.0 115.323 173.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.2 t -55.42 -27.01 20.09 Favored 'Isoleucine or valine' 0 C--O 1.269 2.109 0 O-C-N 126.788 2.555 . . . . 0.0 116.943 175.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -68.31 -53.77 22.03 Favored 'General case' 0 C--N 1.374 1.655 0 C-N-CA 128.64 2.776 . . . . 0.0 111.021 167.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.0 t -55.38 -35.31 36.63 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.333 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 171.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 80.3 m -63.32 5.16 0.18 Allowed 'General case' 0 N--CA 1.517 2.894 0 C-N-CA 127.898 2.479 . . . . 0.0 113.973 166.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -132.41 5.13 5.24 Favored Glycine 0 CA--C 1.541 1.689 0 CA-C-N 121.681 2.037 . . . . 0.0 110.782 173.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -66.89 167.97 10.63 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 115.813 1.782 . . . . 0.0 115.813 167.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -47.73 140.98 5.85 Favored 'General case' 0 N--CA 1.406 -2.665 0 N-CA-C 117.727 2.492 . . . . 0.0 117.727 175.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.4 m -91.37 115.33 27.95 Favored 'General case' 0 N--CA 1.5 2.043 0 C-N-CA 126.459 1.903 . . . . 0.0 110.379 -169.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.415 HD13 HG21 ' A' ' 60' ' ' ILE . 18.8 pt -124.12 -175.02 1.04 Allowed 'Isoleucine or valine' 0 C--O 1.259 1.601 0 O-C-N 125.631 1.832 . . . . 0.0 114.973 170.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -124.3 161.99 24.7 Favored 'General case' 0 C--O 1.267 1.994 0 O-C-N 125.247 1.592 . . . . 0.0 106.746 172.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 85.4 m -133.56 165.8 34.04 Favored Pre-proline 0 N--CA 1.4 -2.945 0 O-C-N 117.972 -2.955 . . . . 0.0 111.105 -169.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -84.55 5.63 6.18 Favored 'Trans proline' 0 N--CA 1.501 1.912 0 C-N-CA 123.827 3.018 . . . . 0.0 115.463 -175.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -136.85 34.92 2.62 Favored 'General case' 0 N--CA 1.518 2.965 0 O-C-N 117.816 -3.053 . . . . 0.0 111.787 169.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -126.15 1.72 7.17 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-O 115.894 -2.003 . . . . 0.0 113.224 -162.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.6 ptt85 -59.1 -20.76 56.42 Favored 'General case' 0 N--CA 1.514 2.73 0 C-N-CA 127.206 2.202 . . . . 0.0 114.853 -165.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.5 p -70.04 -11.92 61.23 Favored 'General case' 0 N--CA 1.528 3.463 0 N-CA-C 117.107 2.262 . . . . 0.0 117.107 175.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -144.61 -8.66 0.65 Allowed 'General case' 0 C--N 1.38 1.925 0 N-CA-C 118.736 2.865 . . . . 0.0 118.736 161.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 62.1 t30 56.24 43.82 25.93 Favored 'General case' 0 C--O 1.166 -3.301 1 CA-C-N 126.152 4.069 . . . . 0.0 111.385 165.094 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -166.47 102.27 0.6 Allowed 'General case' 0 C--N 1.357 0.895 0 CA-C-N 111.269 -2.696 . . . . 0.0 107.064 -169.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.0 p -140.93 174.43 10.53 Favored 'General case' 0 N--CA 1.524 3.259 0 O-C-N 125.18 1.55 . . . . 0.0 107.703 173.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -140.64 152.44 45.4 Favored 'General case' 0 N--CA 1.515 2.814 0 CA-C-O 113.936 -2.935 . . . . 0.0 114.447 -177.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -126.45 153.29 45.26 Favored 'General case' 0 CA--C 1.491 -1.297 0 CA-C-N 122.385 2.357 . . . . 0.0 110.856 177.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.438 ' HB3' ' CE2' ' A' ' 107' ' ' TYR . 73.3 p -67.02 143.58 56.68 Favored 'General case' 0 N--CA 1.427 -1.606 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 -173.394 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.4 mtt-85 -56.95 -36.31 70.13 Favored 'General case' 0 C--O 1.26 1.652 0 C-N-CA 127.316 2.247 . . . . 0.0 112.871 173.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -135.33 -176.2 4.19 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-O 125.611 2.624 . . . . 0.0 111.454 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 -79.97 151.55 29.99 Favored 'General case' 0 C--N 1.377 1.77 0 O-C-N 119.374 -2.079 . . . . 0.0 109.331 168.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.0 m -132.11 159.9 70.19 Favored Pre-proline 0 C--N 1.362 1.119 0 O-C-N 123.941 0.775 . . . . 0.0 112.211 167.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.08 153.5 74.8 Favored 'Trans proline' 0 C--N 1.386 2.513 0 C-N-CA 124.576 3.518 . . . . 0.0 113.616 171.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.5 pp -156.47 171.62 19.96 Favored 'General case' 0 CA--C 1.594 2.637 0 C-N-CA 126.187 1.795 . . . . 0.0 115.837 -178.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 63.7 tp -125.93 117.3 23.0 Favored 'General case' 0 CA--C 1.559 1.308 0 O-C-N 126.359 2.287 . . . . 0.0 115.939 160.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -85.6 153.1 22.62 Favored 'General case' 0 C--O 1.253 1.267 0 CA-C-N 120.96 1.709 . . . . 0.0 111.377 162.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 86.6 m -143.05 153.86 43.37 Favored 'General case' 0 CA--C 1.585 2.305 0 O-C-N 125.637 1.835 . . . . 0.0 111.927 -173.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.478 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 20.2 t70 -152.84 129.52 10.82 Favored 'General case' 0 N--CA 1.398 -3.056 0 C-N-CA 124.665 1.186 . . . . 0.0 110.193 -154.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.3 tp -76.16 95.59 3.71 Favored 'General case' 0 N--CA 1.42 -1.964 0 CA-C-O 113.606 -3.093 . . . . 0.0 113.756 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.3 pt -54.71 -21.28 6.91 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.73 0 CA-C-N 124.788 3.449 . . . . 0.0 117.934 -172.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -127.28 111.91 21.37 Favored Pre-proline 0 C--O 1.275 2.446 0 CA-C-O 123.546 1.641 . . . . 0.0 110.324 157.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_exo -62.38 -22.93 74.76 Favored 'Trans proline' 0 N--CA 1.502 2.005 0 C-N-CA 124.113 3.208 . . . . 0.0 113.745 173.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -60.35 -7.04 6.64 Favored Glycine 0 C--N 1.355 1.621 0 CA-C-O 113.426 -3.986 . . . . 0.0 118.802 167.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.15 138.98 31.03 Favored 'General case' 0 CA--C 1.592 2.588 0 O-C-N 128.655 3.209 . . . . 0.0 109.865 -166.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -141.64 -40.05 0.38 Allowed 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 118.501 2.778 . . . . 0.0 118.501 -174.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -83.64 138.52 33.3 Favored 'General case' 0 C--O 1.266 1.953 0 C-N-CA 129.435 3.094 . . . . 0.0 114.746 155.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.8 pt -48.43 -13.36 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.576 1.959 0 N-CA-C 120.183 3.401 . . . . 0.0 120.183 174.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.5 p -72.38 -14.05 61.62 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 126.855 2.062 . . . . 0.0 114.13 176.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -128.4 -24.13 3.12 Favored 'General case' 0 CA--C 1.477 -1.831 0 C-N-CA 124.541 1.136 . . . . 0.0 109.237 176.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 57.3 m -68.5 121.84 17.2 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 117.027 -3.546 . . . . 0.0 113.684 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -149.79 166.87 28.14 Favored 'General case' 0 C--O 1.255 1.374 0 C-N-CA 129.133 2.973 . . . . 0.0 105.978 -173.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.478 ' HA ' ' O ' ' A' ' 84' ' ' ASP . 51.4 m-85 -149.38 160.84 43.09 Favored 'General case' 0 CA--C 1.581 2.144 0 O-C-N 119.817 -1.802 . . . . 0.0 107.794 -152.461 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -147.75 159.69 43.53 Favored 'General case' 0 N--CA 1.405 -2.694 0 CA-C-O 122.754 1.264 . . . . 0.0 111.058 168.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -97.93 148.39 23.5 Favored 'General case' 0 CA--C 1.578 2.052 0 C-N-CA 126.834 2.054 . . . . 0.0 105.461 -149.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -143.18 88.72 8.03 Favored Pre-proline 0 CA--C 1.583 2.239 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.142 164.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -62.79 154.23 67.39 Favored 'Trans proline' 0 C--N 1.384 2.411 0 C-N-CA 122.267 1.978 . . . . 0.0 112.082 175.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -166.3 -172.22 33.37 Favored Glycine 1 CA--C 1.582 4.251 0 O-C-N 119.197 -2.189 . . . . 0.0 111.195 178.313 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -157.86 104.32 1.93 Allowed 'General case' 0 C--O 1.278 2.603 0 C-N-CA 128.992 2.917 . . . . 0.0 106.932 -176.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 80.6 mtm-85 -142.64 166.23 25.21 Favored 'General case' 0 N--CA 1.501 2.106 0 C-N-CA 125.878 1.671 . . . . 0.0 113.452 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -70.32 171.89 9.17 Favored 'General case' 0 CA--C 1.584 2.264 0 C-N-CA 128.649 2.78 . . . . 0.0 109.787 156.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.438 ' CE2' ' HB3' ' A' ' 74' ' ' SER . 37.2 p90 -148.61 167.71 24.72 Favored 'General case' 0 C--O 1.3 3.735 0 O-C-N 119.688 -1.882 . . . . 0.0 115.237 -175.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.1 t -132.66 135.96 56.65 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.642 0 CA-C-O 122.666 1.222 . . . . 0.0 108.613 175.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.6 m -135.67 148.43 28.18 Favored 'Isoleucine or valine' 0 C--N 1.385 2.146 0 O-C-N 120.832 -1.167 . . . . 0.0 109.441 -174.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -101.56 153.3 19.86 Favored 'General case' 0 N--CA 1.5 2.055 0 C-N-CA 116.177 -2.209 . . . . 0.0 105.701 164.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 12.5 m -134.47 173.72 11.34 Favored 'General case' 0 C--O 1.271 2.191 0 N-CA-C 116.56 2.059 . . . . 0.0 116.56 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . 0.255 25.3 t0 -152.99 164.44 37.97 Favored 'General case' 0 C--O 1.262 1.74 0 O-C-N 127.068 2.73 . . . . 0.0 111.175 -171.031 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -88.31 170.16 11.22 Favored 'General case' 0 CA--C 1.579 2.087 0 CA-C-O 115.947 -1.978 . . . . 0.0 111.953 -162.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -63.87 128.39 35.6 Favored 'General case' 0 CA--C 1.562 1.413 0 CA-C-N 121.386 1.903 . . . . 0.0 111.906 -174.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -71.71 129.74 88.02 Favored Pre-proline 0 N--CA 1.504 2.246 0 CA-C-O 116.883 -1.532 . . . . 0.0 111.032 171.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -64.65 -13.01 36.54 Favored 'Trans proline' 0 CA--C 1.573 2.427 0 C-N-CA 123.062 2.508 . . . . 0.0 112.78 -172.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 44.3 mtm180 -111.71 9.08 20.92 Favored 'General case' 0 CA--C 1.565 1.548 0 CA-C-O 113.597 -3.096 . . . . 0.0 114.884 172.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -146.38 151.12 36.95 Favored 'General case' 0 CA--C 1.593 2.597 0 CA-C-N 122.591 2.451 . . . . 0.0 114.581 174.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.6 m 55.36 43.35 1.27 Allowed Pre-proline 0 N--CA 1.515 2.789 0 C-N-CA 126.223 1.809 . . . . 0.0 115.082 169.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -56.28 -11.07 5.46 Favored 'Trans proline' 0 CA--C 1.563 1.975 0 N-CA-C 118.081 2.3 . . . . 0.0 118.081 -176.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -74.64 -14.76 60.8 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 119.477 -2.014 . . . . 0.0 112.107 -177.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -130.46 142.47 45.58 Favored Pre-proline 0 CA--C 1.585 2.318 0 CA-C-N 120.336 1.426 . . . . 0.0 111.401 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.86 -16.34 18.41 Favored 'Trans proline' 0 CA--C 1.576 2.584 0 O-C-N 115.834 -2.771 . . . . 0.0 115.191 -176.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.4 m -141.0 154.09 20.89 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.162 0 O-C-N 127.531 3.019 . . . . 0.0 112.708 -172.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.439 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 17.2 m -131.79 151.72 79.07 Favored Pre-proline 0 CA--C 1.58 2.099 0 CA-C-N 123.813 3.006 . . . . 0.0 110.948 171.48 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.9 158.34 34.74 Favored 'Trans proline' 0 N--CA 1.521 3.146 0 C-N-CA 122.558 2.172 . . . . 0.0 113.645 172.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 35.7 m -138.63 -27.49 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.443 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -173.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -153.06 156.42 38.72 Favored 'General case' 0 C--N 1.282 -2.367 0 C-N-CA 131.508 3.923 . . . . 0.0 115.268 -176.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.13 130.02 40.61 Favored 'General case' 0 C--O 1.251 1.144 0 CA-C-N 124.036 3.107 . . . . 0.0 105.614 176.378 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -85.52 -48.96 8.45 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 129.119 2.967 . . . . 0.0 115.958 -177.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.7 t -165.05 -174.51 3.32 Favored 'General case' 0 C--O 1.192 -1.957 0 C-N-CA 125.49 1.516 . . . . 0.0 114.278 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 78.2 p -132.85 144.05 49.94 Favored 'General case' 0 C--O 1.286 2.986 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.098 165.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.276 0.2 OUTLIER . . . . . 0 N--CA 1.516 2.846 0 N-CA-C 120.185 3.402 . . . . 0.0 120.185 -176.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo . . . . . 0 N--CA 1.443 -1.493 0 CA-C-O 117.63 -1.071 . . . . 0.0 114.344 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -44.03 -20.19 0.27 Allowed 'Trans proline' 1 N--CA 1.38 -5.167 1 C-N-CA 127.517 5.478 . . . . 0.0 122.332 -179.567 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -157.77 13.37 0.22 Allowed 'General case' 0 CA--C 1.581 2.156 0 O-C-N 119.133 -2.23 . . . . 0.0 115.245 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -140.01 169.19 18.16 Favored 'General case' 0 CA--C 1.59 2.519 0 C-N-CA 126.884 2.074 . . . . 0.0 108.598 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 53.2 p -89.8 157.55 17.89 Favored 'General case' 0 N--CA 1.507 2.418 0 CA-C-O 123.676 1.703 . . . . 0.0 112.958 157.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -48.72 -32.86 9.13 Favored 'General case' 0 C--N 1.406 3.045 0 O-C-N 119.597 -1.94 . . . . 0.0 114.012 174.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.66 -44.33 64.47 Favored 'General case' 0 CA--C 1.566 1.576 0 C-N-CA 128.961 2.904 . . . . 0.0 110.233 176.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -70.15 -41.41 73.9 Favored 'General case' 0 CA--C 1.558 1.265 0 CA-C-O 125.709 2.671 . . . . 0.0 111.463 -177.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.348 65.1 t-105 -71.1 -27.11 63.36 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 116.483 -3.886 . . . . 0.0 114.093 174.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -61.06 -50.4 73.44 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 119.408 -2.058 . . . . 0.0 109.807 161.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.27 -48.47 80.35 Favored 'General case' 0 C--N 1.371 1.54 0 N-CA-C 117.977 2.584 . . . . 0.0 117.977 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . 0.255 27.6 mt -57.68 -34.44 47.6 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.07 0 C-N-CA 127.773 2.429 . . . . 0.0 116.767 172.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -78.33 -22.09 48.57 Favored 'General case' 0 C--N 1.286 -2.183 0 CA-C-O 117.526 -1.226 . . . . 0.0 114.163 170.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.356 93.6 m-70 -137.26 -32.34 0.78 Allowed 'General case' 0 N--CA 1.505 2.277 0 N-CA-C 119.718 3.229 . . . . 0.0 119.718 -159.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.9 mm -119.49 113.62 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 117.889 -3.007 . . . . 0.0 114.027 -169.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -157.52 111.29 2.57 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-N 111.034 -2.803 . . . . 0.0 105.281 -170.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.287 13.1 tp -59.15 -15.62 15.51 Favored 'General case' 0 CA--C 1.565 1.546 0 N-CA-C 118.23 2.678 . . . . 0.0 118.23 175.479 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -156.28 67.31 4.51 Favored Pre-proline 0 C--N 1.407 3.072 0 CA-C-O 126.589 3.09 . . . . 0.0 114.147 173.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -66.92 132.63 28.81 Favored 'Trans proline' 0 C--O 1.283 2.77 1 C-N-CA 128.095 5.863 . . . . 0.0 110.635 -174.19 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -68.32 -176.52 1.13 Allowed 'Trans proline' 0 C--O 1.186 -2.095 0 C-N-CA 124.93 3.754 . . . . 0.0 109.989 -174.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 56.3 mmt-85 -45.71 140.25 3.56 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 126.993 3.283 . . . . 0.0 108.27 164.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 55.4 m -66.01 -26.84 67.72 Favored 'General case' 0 CA--C 1.582 2.189 0 O-C-N 117.394 -3.316 . . . . 0.0 109.632 -178.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.0 p -38.91 -46.12 1.27 Allowed 'General case' 0 C--O 1.177 -2.731 0 C-N-CA 126.462 1.905 . . . . 0.0 114.595 159.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.1 mm -89.25 -54.19 8.13 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.51 0 CA-C-O 116.492 -1.718 . . . . 0.0 110.317 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.49 -42.74 83.3 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 116.947 -1.501 . . . . 0.0 108.552 -169.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.428 ' HG3' ' CD1' ' A' ' 98' ' ' TYR . 27.2 mmm -48.81 -36.81 17.55 Favored 'General case' 0 N--CA 1.426 -1.667 0 CA-C-N 121.941 2.155 . . . . 0.0 114.97 179.269 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -57.27 -31.41 65.57 Favored 'General case' 0 C--O 1.274 2.355 0 C-N-CA 129.282 3.033 . . . . 0.0 112.861 -173.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.53 -29.09 9.78 Favored 'General case' 1 CA--C 1.634 4.192 0 C-N-CA 129.762 3.225 . . . . 0.0 112.452 179.384 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.9 pt -125.99 -45.14 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.414 -2.25 0 C-N-CA 126.921 2.089 . . . . 0.0 111.946 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -59.41 -11.97 5.24 Favored 'General case' 0 C--O 1.195 -1.798 0 N-CA-C 116.638 2.088 . . . . 0.0 116.638 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -116.74 -2.64 11.84 Favored 'General case' 0 CA--C 1.589 2.476 0 O-C-N 118.249 -2.782 . . . . 0.0 112.836 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -105.34 -4.66 21.26 Favored 'General case' 0 CA--C 1.572 1.812 0 C-N-CA 128.524 2.73 . . . . 0.0 113.083 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -139.13 170.84 15.23 Favored 'General case' 1 N--CA 1.56 5.063 0 C-N-CA 125.606 1.563 . . . . 0.0 110.479 178.052 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -53.28 -32.51 48.97 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 118.033 2.605 . . . . 0.0 118.033 -173.313 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -143.73 170.04 16.61 Favored 'General case' 0 C--O 1.2 -1.514 0 CA-C-O 126.633 3.111 . . . . 0.0 110.813 -167.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 89.3 m -79.94 103.26 9.71 Favored 'General case' 0 CA--C 1.565 1.54 0 O-C-N 119.333 -2.105 . . . . 0.0 108.858 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -67.72 136.13 53.8 Favored 'General case' 0 C--N 1.378 1.812 0 N-CA-C 101.812 -3.403 . . . . 0.0 101.812 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -62.02 -47.62 83.95 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 117.911 2.56 . . . . 0.0 117.911 176.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -130.24 157.42 42.55 Favored 'General case' 0 C--N 1.283 -2.317 0 O-C-N 116.939 -3.601 . . . . 0.0 106.859 -177.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -164.45 166.66 20.33 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 125.837 1.96 . . . . 0.0 115.684 159.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.8 m -139.62 133.2 30.35 Favored 'General case' 0 CA--C 1.562 1.425 0 C-N-CA 117.199 -1.8 . . . . 0.0 108.618 -165.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -136.17 109.69 7.97 Favored 'General case' 0 C--O 1.185 -2.309 0 C-N-CA 125.579 1.551 . . . . 0.0 108.86 -165.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -101.02 143.1 31.56 Favored 'General case' 0 CA--C 1.463 -2.402 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 -160.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -95.09 63.75 2.69 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 -171.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.8 t -141.23 -166.59 2.21 Favored 'General case' 0 CA--C 1.572 1.821 0 C-N-CA 126.886 2.074 . . . . 0.0 109.315 -178.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.2 p -141.55 150.4 42.06 Favored 'General case' 0 C--O 1.194 -1.822 0 O-C-N 119.283 -2.135 . . . . 0.0 114.667 -175.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.487 ' CZ ' ' HD2' ' A' ' 126' ' ' PRO . 44.3 t80 -55.04 -51.48 66.17 Favored 'General case' 0 C--O 1.188 -2.158 0 N-CA-C 115.907 1.817 . . . . 0.0 115.907 -165.106 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.89 -43.83 49.59 Favored 'General case' 0 CA--C 1.569 1.699 0 O-C-N 117.977 -2.952 . . . . 0.0 111.462 166.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -69.43 -21.65 63.73 Favored 'General case' 0 CA--C 1.505 -0.76 0 O-C-N 117.069 -3.519 . . . . 0.0 115.823 174.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 43.2 t -75.8 -40.87 39.76 Favored 'Isoleucine or valine' 0 CA--C 1.61 3.254 0 O-C-N 120.005 -1.685 . . . . 0.0 112.79 168.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.5 t -58.61 -31.12 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 118.032 -2.917 . . . . 0.0 107.472 177.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -56.1 -23.45 34.11 Favored 'General case' 0 N--CA 1.518 2.963 0 CA-C-N 122.995 2.634 . . . . 0.0 116.337 167.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.5 t -76.99 -31.99 19.19 Favored 'Isoleucine or valine' 0 C--N 1.362 1.129 0 O-C-N 116.774 -3.704 . . . . 0.0 112.222 171.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 63.8 m -70.03 -0.23 7.21 Favored 'General case' 0 CA--C 1.579 2.093 0 O-C-N 124.324 1.015 . . . . 0.0 109.027 175.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -109.12 2.12 31.4 Favored Glycine 0 C--O 1.265 2.081 0 C-N-CA 127.857 2.646 . . . . 0.0 111.571 168.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -78.57 -176.58 4.9 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 120.792 2.296 . . . . 0.0 111.44 174.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -61.37 154.59 23.65 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 119.356 -2.09 . . . . 0.0 110.928 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.1 m -84.27 126.74 33.45 Favored 'General case' 0 C--O 1.26 1.627 0 CA-C-O 127.676 3.608 . . . . 0.0 113.968 169.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 14.6 pt -124.68 -179.29 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.843 0 CA-C-N 111.772 -2.467 . . . . 0.0 111.158 166.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -125.37 144.26 50.59 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 -173.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 69.6 m -140.97 155.54 68.81 Favored Pre-proline 0 CA--C 1.578 2.048 0 C-N-CA 126.6 1.96 . . . . 0.0 112.929 -160.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -74.7 -11.74 22.1 Favored 'Trans proline' 0 C--N 1.408 3.659 0 N-CA-C 117.589 2.111 . . . . 0.0 117.589 -170.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -136.49 40.24 2.62 Favored 'General case' 0 N--CA 1.504 2.25 0 C-N-CA 118.324 -1.351 . . . . 0.0 109.843 -174.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -128.21 -4.11 5.58 Favored 'General case' 0 CA--C 1.602 2.953 0 C-N-CA 129.781 3.232 . . . . 0.0 116.273 -159.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -50.1 -35.05 23.96 Favored 'General case' 0 C--O 1.185 -2.319 0 C-N-CA 128.937 2.895 . . . . 0.0 113.134 -164.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.2 p -64.11 -10.7 24.14 Favored 'General case' 0 C--N 1.385 2.134 1 O-C-N 129.211 4.069 . . . . 0.0 118.646 177.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -135.94 -18.28 1.6 Allowed 'General case' 0 C--N 1.381 1.965 0 CA-C-O 115.679 -2.105 . . . . 0.0 111.959 167.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.423 38.9 t-20 60.91 20.69 10.97 Favored 'General case' 0 CA--C 1.569 1.676 1 C-N-CA 131.882 4.073 . . . . 0.0 115.14 -177.944 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -135.75 130.09 33.58 Favored 'General case' 0 C--N 1.28 -2.453 0 C-N-CA 126.523 1.929 . . . . 0.0 110.815 -174.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 30.3 p -154.1 171.99 18.25 Favored 'General case' 0 CA--C 1.59 2.507 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 -178.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -148.15 143.57 27.19 Favored 'General case' 0 N--CA 1.507 2.398 0 O-C-N 118.893 -2.379 . . . . 0.0 108.211 -167.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -113.96 148.76 36.34 Favored 'General case' 0 C--N 1.385 2.149 0 C-N-CA 126.461 1.904 . . . . 0.0 108.65 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.3 p -71.16 143.11 50.64 Favored 'General case' 0 N--CA 1.501 2.111 0 CA-C-O 125.346 2.498 . . . . 0.0 112.772 -171.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.5 mtt-85 -63.99 -24.51 67.75 Favored 'General case' 0 C--O 1.25 1.1 0 CA-C-O 125.73 2.681 . . . . 0.0 116.079 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -140.36 174.34 10.61 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-O 112.438 -3.649 . . . . 0.0 113.45 -177.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -81.76 150.81 27.74 Favored 'General case' 0 C--O 1.266 1.958 0 O-C-N 127.7 3.125 . . . . 0.0 113.515 166.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 104' ' ' ARG . 3.3 m -119.65 153.49 54.33 Favored Pre-proline 0 C--O 1.274 2.392 0 O-C-N 127.193 2.808 . . . . 0.0 110.628 177.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -68.61 146.61 67.89 Favored 'Trans proline' 0 CA--C 1.557 1.674 0 N-CA-C 104.324 -2.991 . . . . 0.0 104.324 155.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.436 HD22 HG21 ' A' ' 132' ' ' THR . 2.8 pp -153.08 154.16 34.29 Favored 'General case' 0 C--O 1.255 1.374 0 O-C-N 119.876 -1.765 . . . . 0.0 111.533 173.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . 0.288 19.1 tp -108.36 110.68 22.31 Favored 'General case' 0 CA--C 1.485 -1.537 0 CA-C-N 112.13 -2.305 . . . . 0.0 110.328 170.436 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . 0.268 70.7 t60 -88.61 141.73 28.28 Favored 'General case' 0 C--O 1.2 -1.523 0 N-CA-C 102.655 -3.091 . . . . 0.0 102.655 162.215 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 84.9 m -113.66 154.57 27.02 Favored 'General case' 0 C--N 1.267 -2.992 0 C-N-CA 127.918 2.487 . . . . 0.0 111.983 171.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . 0.262 57.7 t0 -139.5 173.07 11.92 Favored 'General case' 0 N--CA 1.409 -2.521 0 C-N-CA 129.961 3.304 . . . . 0.0 112.238 -178.209 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.0 tp -128.9 124.86 36.29 Favored 'General case' 0 C--O 1.266 1.969 0 C-N-CA 131.409 3.884 . . . . 0.0 108.25 -172.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.271 29.3 pt -72.73 -16.94 18.18 Favored 'Isoleucine or valine' 0 C--N 1.376 1.75 0 N-CA-C 116.424 2.009 . . . . 0.0 116.424 -171.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -141.46 106.47 6.01 Favored Pre-proline 0 C--O 1.207 -1.155 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . 0.326 9.4 Cg_endo -53.98 -12.83 3.82 Favored 'Trans proline' 1 N--CA 1.551 4.858 1 C-N-CA 126.987 5.125 . . . . 0.0 116.596 167.992 . . . . . . . . 4 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -77.26 -37.35 32.19 Favored Glycine 0 C--O 1.249 1.045 0 O-C-N 125.016 1.448 . . . . 0.0 115.408 173.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -49.94 127.32 16.17 Favored 'General case' 0 C--O 1.271 2.217 0 O-C-N 128.66 3.212 . . . . 0.0 113.49 -177.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . 0.255 40.0 mt-30 -134.64 0.64 3.01 Favored 'General case' 0 N--CA 1.529 3.513 0 O-C-N 118.196 -2.815 . . . . 0.0 116.578 -176.2 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -131.99 136.27 47.16 Favored 'General case' 0 C--O 1.27 2.18 0 C-N-CA 128.58 2.752 . . . . 0.0 105.597 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 8.8 pt -55.61 -22.05 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.499 0 O-C-N 118.884 -2.385 . . . . 0.0 115.294 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.4 p -65.39 -14.02 59.95 Favored 'General case' 1 N--CA 1.561 5.122 0 C-N-CA 125.645 1.578 . . . . 0.0 114.006 172.198 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -125.24 -44.1 1.9 Allowed 'General case' 0 N--CA 1.427 -1.606 0 C-N-CA 129.52 3.128 . . . . 0.0 116.906 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 57.8 m -53.6 126.56 22.18 Favored 'General case' 1 C--O 1.311 4.33 1 O-C-N 129.388 4.18 . . . . 0.0 114.597 173.132 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 46.5 mtt180 -148.11 153.86 39.42 Favored 'General case' 0 C--N 1.37 1.469 0 CA-C-O 125.977 2.798 . . . . 0.0 105.116 -172.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.428 ' CD1' ' HG3' ' A' ' 27' ' ' MET . 55.3 m-85 -129.97 161.09 31.7 Favored 'General case' 0 N--CA 1.434 -1.275 0 CA-C-N 113.163 -1.835 . . . . 0.0 113.992 -155.573 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -140.25 146.47 38.65 Favored 'General case' 0 C--O 1.25 1.099 0 O-C-N 125.228 1.58 . . . . 0.0 112.721 -171.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.507 ' C ' ' HD2' ' A' ' 101' ' ' ARG . 7.1 m-20 -97.99 141.21 31.23 Favored 'General case' 0 CA--C 1.469 -2.141 0 CA-C-O 125.777 2.703 . . . . 0.0 110.39 -172.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.507 ' HD2' ' C ' ' A' ' 100' ' ' ASP . 2.7 mpt_? -144.72 73.86 15.08 Favored Pre-proline 0 N--CA 1.494 1.769 0 CA-C-N 111.213 -2.722 . . . . 0.0 113.663 175.009 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -57.32 159.08 16.69 Favored 'Trans proline' 0 CA--C 1.544 1.015 0 C-N-CA 124.016 3.144 . . . . 0.0 118.608 171.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -178.89 175.57 47.42 Favored Glycine 1 CA--C 1.61 5.971 0 N-CA-C 117.987 1.955 . . . . 0.0 117.987 172.35 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 78' ' ' VAL . 31.3 ttt180 -122.27 111.92 17.51 Favored 'General case' 0 C--O 1.281 2.721 0 O-C-N 126.978 2.222 . . . . 0.0 113.923 178.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 86.8 mtm-85 -158.13 163.63 37.41 Favored 'General case' 0 C--O 1.247 0.973 0 CA-C-O 116.219 -1.848 . . . . 0.0 114.736 -172.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -67.77 176.58 2.44 Favored 'General case' 0 CA--C 1.573 1.835 0 C-N-CA 125.943 1.697 . . . . 0.0 106.838 165.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -160.46 170.5 20.85 Favored 'General case' 0 N--CA 1.512 2.634 0 O-C-N 124.279 0.987 . . . . 0.0 109.261 -173.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 74.7 t -147.99 130.69 7.43 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.427 0 O-C-N 125.447 1.717 . . . . 0.0 106.742 -163.58 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.2 m -142.1 169.81 13.03 Favored 'Isoleucine or valine' 0 C--O 1.258 1.529 0 C-N-CA 126.192 1.797 . . . . 0.0 111.751 -172.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -126.81 145.12 50.75 Favored 'General case' 0 C--O 1.27 2.164 0 C-N-CA 127.723 2.409 . . . . 0.0 113.035 165.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 50.9 m -133.88 159.03 41.92 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 128.84 3.837 . . . . 0.0 119.519 -167.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -130.87 158.29 40.59 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 112.606 -2.088 . . . . 0.0 113.511 -175.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -75.56 149.91 38.22 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-O 115.853 -2.023 . . . . 0.0 108.301 178.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -45.29 136.67 5.13 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 119.673 3.212 . . . . 0.0 119.673 175.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -69.63 131.85 89.5 Favored Pre-proline 0 C--N 1.267 -3.016 0 O-C-N 124.496 1.123 . . . . 0.0 108.09 175.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -67.65 -8.23 21.72 Favored 'Trans proline' 0 N--CA 1.41 -3.411 0 N-CA-C 117.919 2.238 . . . . 0.0 117.919 175.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -133.51 10.35 4.04 Favored 'General case' 0 N--CA 1.507 2.392 0 C-N-CA 128.429 2.692 . . . . 0.0 112.63 -174.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -146.75 140.4 25.84 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 128.684 2.794 . . . . 0.0 116.933 172.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.0 m 46.86 59.09 16.66 Favored Pre-proline 0 N--CA 1.495 1.778 0 N-CA-C 118.432 2.753 . . . . 0.0 118.432 168.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -29.3 -22.19 0.0 OUTLIER 'Trans proline' 0 CA--C 1.564 2.015 1 N-CA-C 126.858 5.676 . . . . 0.0 126.858 170.209 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -73.86 -24.94 59.81 Favored 'General case' 0 C--O 1.199 -1.564 0 C-N-CA 126.799 2.04 . . . . 0.0 109.454 -161.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -120.1 102.82 45.84 Favored Pre-proline 0 CA--C 1.559 1.32 0 CA-C-O 116.633 -1.651 . . . . 0.0 111.961 -166.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . 0.251 36.0 Cg_exo -49.02 -25.91 9.57 Favored 'Trans proline' 0 N--CA 1.438 -1.737 1 C-N-CA 125.307 4.005 . . . . 0.0 118.817 174.427 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.7 m -147.84 153.51 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.714 1 N-CA-C 99.488 -4.264 . . . . 0.0 99.488 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 18.3 m -138.77 143.01 35.9 Favored Pre-proline 0 CA--C 1.59 2.51 0 C-N-CA 129.958 3.303 . . . . 0.0 106.989 -175.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.487 ' HD2' ' CZ ' ' A' ' 48' ' ' PHE . 88.9 Cg_endo -79.93 142.57 15.74 Favored 'Trans proline' 0 N--CA 1.426 -2.455 0 C-N-CA 123.216 2.611 . . . . 0.0 111.846 176.123 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 31.2 m -124.38 -12.08 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.221 0 N-CA-C 119.223 3.046 . . . . 0.0 119.223 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -164.4 152.45 12.4 Favored 'General case' 0 N--CA 1.509 2.508 0 C-N-CA 125.501 1.52 . . . . 0.0 111.467 -171.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 66.6 tp -120.51 131.5 54.74 Favored 'General case' 0 N--CA 1.505 2.286 0 C-N-CA 127.842 2.457 . . . . 0.0 112.466 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -97.57 -50.45 4.49 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 14.9 t -172.74 161.16 4.68 Favored 'General case' 0 C--O 1.248 1.009 0 CA-C-O 123.738 1.732 . . . . 0.0 108.51 -164.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.436 HG21 HD22 ' A' ' 80' ' ' LEU . 77.3 p -128.66 129.83 46.38 Favored 'General case' 0 N--CA 1.522 3.13 0 N-CA-C 101.514 -3.513 . . . . 0.0 101.514 175.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 112.931 -3.414 . . . . 0.0 115.426 -173.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo . . . . . 0 CA--C 1.549 1.235 0 N-CA-C 118.729 2.55 . . . . 0.0 118.729 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -52.47 -11.6 1.29 Allowed 'Trans proline' 0 C--N 1.392 2.855 0 O-C-N 127.764 3.507 . . . . 0.0 119.414 -176.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -141.35 -6.39 1.05 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 118.128 2.64 . . . . 0.0 118.128 174.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -128.15 164.64 22.04 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 120.864 -1.148 . . . . 0.0 112.959 -172.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 59.7 p -73.42 160.06 32.34 Favored 'General case' 1 N--CA 1.555 4.812 0 O-C-N 117.479 -3.263 . . . . 0.0 103.678 157.354 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -59.4 -28.56 67.02 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-O 115.211 -2.328 . . . . 0.0 113.12 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.47 -32.18 24.15 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 126.21 2.194 . . . . 0.0 113.104 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.17 -44.2 95.22 Favored 'General case' 0 C--O 1.274 2.349 0 O-C-N 118.952 -2.343 . . . . 0.0 108.018 168.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -60.02 -39.91 87.49 Favored 'General case' 0 C--O 1.18 -2.56 0 N-CA-C 119.474 3.139 . . . . 0.0 119.474 168.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -53.71 -46.35 70.73 Favored 'General case' 0 C--O 1.253 1.258 0 CA-C-O 127.297 3.427 . . . . 0.0 112.762 164.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.47 -36.28 63.31 Favored 'General case' 0 CA--C 1.566 1.564 0 O-C-N 117.183 -3.448 . . . . 0.0 112.085 -168.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.7 mt -68.94 -35.26 68.35 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.091 0 C-N-CA 118.121 -1.431 . . . . 0.0 112.162 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -67.01 -26.22 66.67 Favored 'General case' 0 CA--C 1.57 1.715 0 CA-C-O 114.694 -2.574 . . . . 0.0 114.348 174.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -150.8 -7.59 0.27 Allowed 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 117.659 2.466 . . . . 0.0 117.659 -161.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.401 HD12 HG21 ' A' ' 51' ' ' VAL . 32.0 mm -119.1 110.37 29.57 Favored 'Isoleucine or valine' 0 C--O 1.259 1.564 0 O-C-N 118.008 -2.932 . . . . 0.0 107.567 -174.285 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.2 m -150.86 124.08 8.84 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 120.146 -1.596 . . . . 0.0 112.601 155.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.6 tp -42.17 -36.49 1.2 Allowed 'General case' 0 C--N 1.385 2.152 0 N-CA-C 118.712 2.856 . . . . 0.0 118.712 169.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -142.25 80.53 14.87 Favored Pre-proline 0 C--O 1.188 -2.147 0 O-C-N 126.027 2.08 . . . . 0.0 111.483 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.45 170.58 19.6 Favored 'Trans proline' 0 CA--C 1.565 2.062 0 O-C-N 123.22 1.116 . . . . 0.0 112.209 -174.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -86.42 171.6 7.41 Favored 'Trans proline' 0 CA--C 1.567 2.153 0 C-N-CA 122.383 2.055 . . . . 0.0 110.513 176.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -49.93 138.32 15.44 Favored 'General case' 0 C--N 1.295 -1.803 0 CA-C-O 116.862 -1.542 . . . . 0.0 114.168 161.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 64.3 m -56.31 -29.41 61.2 Favored 'General case' 0 N--CA 1.527 3.406 0 O-C-N 125.846 1.966 . . . . 0.0 115.339 -169.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.8 p -45.1 -30.92 1.21 Allowed 'General case' 1 N--CA 1.539 4.022 0 N-CA-C 119.786 3.254 . . . . 0.0 119.786 166.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 30.8 mm -97.06 -45.81 12.78 Favored 'Isoleucine or valine' 1 C--O 1.142 -4.603 0 CA-C-O 126.622 3.106 . . . . 0.0 109.368 177.475 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.87 -41.55 58.15 Favored 'General case' 0 C--N 1.393 2.474 0 O-C-N 116.901 -3.624 . . . . 0.0 113.098 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 79.9 mmm -66.67 -18.44 65.37 Favored 'General case' 0 CA--C 1.572 1.812 1 CA-C-N 126.327 4.148 . . . . 0.0 110.702 -173.3 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -71.97 -29.58 64.4 Favored 'General case' 0 C--O 1.243 0.761 0 O-C-N 119.394 -2.066 . . . . 0.0 110.116 -163.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.3 -11.47 6.57 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 117.539 2.422 . . . . 0.0 117.539 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.8 pt -130.35 -36.73 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.261 0 C-N-CA 127.39 2.276 . . . . 0.0 112.182 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -73.23 -24.43 60.49 Favored 'General case' 0 C--N 1.379 1.871 0 O-C-N 118.362 -2.711 . . . . 0.0 111.776 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -97.3 14.34 26.41 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 126.487 1.915 . . . . 0.0 111.39 173.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -139.27 -6.17 1.4 Allowed 'General case' 1 N--CA 1.553 4.719 0 O-C-N 119.599 -1.938 . . . . 0.0 111.217 -168.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -140.15 168.2 20.36 Favored 'General case' 0 CA--C 1.591 2.552 0 O-C-N 119.344 -2.097 . . . . 0.0 108.667 -176.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.1 p-90 -55.02 -23.64 20.6 Favored 'General case' 0 CA--C 1.568 1.656 0 N-CA-C 116.454 2.02 . . . . 0.0 116.454 -167.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . 0.316 88.3 mtt180 -152.33 -179.7 7.78 Favored 'General case' 0 C--O 1.27 2.165 1 O-C-N 115.813 -4.304 . . . . 0.0 111.377 179.036 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 59.0 m -79.99 130.99 35.71 Favored 'General case' 0 CA--C 1.559 1.312 0 O-C-N 118.626 -2.547 . . . . 0.0 107.832 173.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -75.33 142.29 43.22 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 117.628 -3.17 . . . . 0.0 105.846 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -64.21 -54.46 33.21 Favored 'General case' 0 C--O 1.184 -2.38 0 CA-C-N 114.111 -1.404 . . . . 0.0 112.376 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -138.48 143.54 39.64 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 126.408 2.318 . . . . 0.0 111.428 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -141.77 172.74 12.28 Favored 'General case' 0 CA--C 1.492 -1.263 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 167.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . 0.301 1.6 m -139.78 145.21 37.92 Favored 'General case' 0 C--O 1.275 2.415 0 C-N-CA 128.45 2.7 . . . . 0.0 111.421 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -140.41 133.69 29.74 Favored 'General case' 0 C--O 1.28 2.683 0 CA-C-O 123.943 1.83 . . . . 0.0 113.555 166.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.5 mt -100.01 139.82 35.11 Favored 'General case' 0 C--N 1.378 1.838 0 O-C-N 117.105 -3.497 . . . . 0.0 109.465 -168.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -85.97 61.98 7.17 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 126.468 1.907 . . . . 0.0 107.827 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.8 t -152.67 161.0 43.15 Favored 'General case' 0 C--O 1.193 -1.892 0 CA-C-O 114.369 -2.729 . . . . 0.0 110.055 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.3 p -110.87 160.48 16.73 Favored 'General case' 0 N--CA 1.509 2.5 0 CA-C-O 127.939 3.733 . . . . 0.0 110.337 -163.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -61.83 -29.88 70.46 Favored 'General case' 0 C--O 1.261 1.685 0 O-C-N 118.19 -2.819 . . . . 0.0 112.629 -164.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.16 -25.68 59.87 Favored 'General case' 0 N--CA 1.434 -1.238 0 C-N-CA 126.119 1.768 . . . . 0.0 108.123 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -89.29 -20.29 24.27 Favored 'General case' 0 CA--C 1.557 1.25 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.401 HG21 HD12 ' A' ' 16' ' ' ILE . 59.8 t -82.25 -40.77 17.45 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.825 0 N-CA-C 104.024 -2.584 . . . . 0.0 104.024 175.406 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 25.3 t -57.37 -29.51 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 120.923 -1.111 . . . . 0.0 110.943 172.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -69.23 -26.02 64.6 Favored 'General case' 0 N--CA 1.508 2.466 0 O-C-N 120.096 -1.627 . . . . 0.0 113.795 170.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.2 t -78.41 -37.91 22.18 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 O-C-N 124.703 1.252 . . . . 0.0 112.787 168.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 63.1 m -59.54 5.17 0.03 OUTLIER 'General case' 0 CA--C 1.586 2.359 0 CA-C-O 125.407 2.527 . . . . 0.0 116.91 158.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -123.61 38.36 2.47 Favored Glycine 0 N--CA 1.476 1.314 0 N-CA-C 121.143 3.217 . . . . 0.0 121.143 161.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.262 44.6 t-20 -113.99 179.75 3.87 Favored 'General case' 0 N--CA 1.513 2.697 0 C-N-CA 117.295 -1.762 . . . . 0.0 107.739 169.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -56.74 148.34 20.63 Favored 'General case' 0 C--N 1.382 2.017 0 O-C-N 120.332 -1.48 . . . . 0.0 113.231 -178.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.6 m -79.84 117.37 20.66 Favored 'General case' 0 N--CA 1.405 -2.689 0 C-N-CA 127.582 2.353 . . . . 0.0 109.611 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 19.5 pt -119.0 176.32 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 130.655 3.582 . . . . 0.0 113.205 171.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.5 ptt-85 -107.48 149.36 28.05 Favored 'General case' 0 N--CA 1.51 2.571 1 O-C-N 116.278 -4.014 . . . . 0.0 113.263 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 92.3 m -144.29 150.12 47.2 Favored Pre-proline 0 CA--C 1.566 1.576 0 CA-C-N 120.016 1.28 . . . . 0.0 112.356 176.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -56.39 -24.02 49.88 Favored 'Trans proline' 0 C--O 1.216 -0.601 1 C-N-CA 127.617 5.545 . . . . 0.0 114.36 -161.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -122.84 37.56 4.38 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 -169.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -147.13 -8.66 0.45 Allowed 'General case' 0 C--N 1.369 1.441 0 O-C-N 119.92 -1.737 . . . . 0.0 112.499 -152.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 46.6 ptt85 -49.63 -19.96 0.7 Allowed 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 120.896 3.665 . . . . 0.0 120.896 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.3 p -58.07 -46.44 85.44 Favored 'General case' 0 C--N 1.286 -2.189 0 CA-C-N 122.257 2.299 . . . . 0.0 110.124 168.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -104.52 -17.97 14.53 Favored 'General case' 0 CA--C 1.563 1.446 0 CA-C-N 119.501 1.046 . . . . 0.0 110.435 176.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.2 t30 43.83 42.25 4.34 Favored 'General case' 0 C--N 1.392 2.451 0 C-N-CA 126.489 1.915 . . . . 0.0 115.592 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -141.78 103.82 4.42 Favored 'General case' 0 C--N 1.283 -2.303 0 O-C-N 126.502 2.377 . . . . 0.0 113.387 -173.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 24.7 p -125.74 175.36 7.67 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 118.79 -2.444 . . . . 0.0 109.401 174.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -145.84 162.51 37.54 Favored 'General case' 0 C--O 1.277 2.533 0 CA-C-O 115.758 -2.068 . . . . 0.0 112.66 175.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -119.63 153.14 35.97 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 126.648 1.979 . . . . 0.0 111.272 177.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.462 ' HB3' ' CE2' ' A' ' 107' ' ' TYR . 93.6 p -62.46 152.06 35.52 Favored 'General case' 0 C--O 1.26 1.654 0 C-N-CA 125.851 1.66 . . . . 0.0 114.358 175.557 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 66.1 mtt-85 -71.53 -9.17 57.79 Favored 'General case' 0 N--CA 1.525 3.29 0 N-CA-C 104.175 -2.528 . . . . 0.0 104.175 -175.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.449 ' HA ' ' CE2' ' A' ' 106' ' ' PHE . 0.3 OUTLIER -174.65 168.05 3.75 Favored 'General case' 0 N--CA 1.51 2.546 0 N-CA-C 115.525 1.676 . . . . 0.0 115.525 -155.857 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 64.5 mtm180 -74.33 145.75 43.64 Favored 'General case' 0 C--O 1.186 -2.242 0 O-C-N 118.727 -2.483 . . . . 0.0 112.31 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.7 m -121.21 141.57 33.3 Favored Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 118.041 -2.912 . . . . 0.0 114.557 164.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -67.83 134.61 32.85 Favored 'Trans proline' 0 C--O 1.282 2.712 0 CA-C-O 126.982 2.826 . . . . 0.0 109.698 159.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.1 pp -130.28 160.75 32.98 Favored 'General case' 0 CA--C 1.584 2.267 0 CA-C-N 111.168 -2.742 . . . . 0.0 114.381 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 tp -116.72 107.47 14.7 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 168.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -86.33 136.97 32.94 Favored 'General case' 0 CA--C 1.566 1.578 0 O-C-N 118.651 -2.53 . . . . 0.0 114.073 172.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 87.2 m -124.0 136.38 54.25 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 124.383 1.052 . . . . 0.0 110.995 -175.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -135.5 111.0 9.14 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 127.792 3.182 . . . . 0.0 111.152 -157.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.402 ' CD1' ' HB3' ' A' ' 96' ' ' CYS . 25.9 tp -75.73 86.63 2.76 Favored 'General case' 0 CA--C 1.574 1.869 0 C-N-CA 130.016 3.327 . . . . 0.0 106.839 173.388 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.307 13.4 pt -56.33 -0.26 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.516 2.825 0 C-N-CA 130.492 3.517 . . . . 0.0 119.069 -172.533 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -140.01 129.12 13.49 Favored Pre-proline 0 CA--C 1.612 3.36 0 N-CA-C 116.944 2.202 . . . . 0.0 116.944 -165.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -89.96 16.91 1.62 Allowed 'Trans proline' 0 CA--C 1.572 2.422 0 CA-C-O 115.313 -2.036 . . . . 0.0 115.406 -175.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -125.31 -13.47 3.52 Favored Glycine 0 C--O 1.19 -2.609 0 N-CA-C 108.713 -1.755 . . . . 0.0 108.713 173.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . 0.268 . . -57.99 143.43 43.19 Favored 'General case' 0 C--N 1.4 2.787 0 CA-C-N 119.796 1.798 . . . . 0.0 111.662 170.595 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -144.85 -23.3 0.51 Allowed 'General case' 0 C--N 1.305 -1.336 0 O-C-N 119.577 -1.952 . . . . 0.0 115.832 174.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -136.8 153.83 50.7 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 116.826 2.158 . . . . 0.0 116.826 174.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 27.7 pt -55.92 -21.01 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.623 0 C-N-CA 130.346 3.458 . . . . 0.0 114.497 -174.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.1 p -66.09 12.58 0.06 Allowed 'General case' 0 N--CA 1.496 1.828 0 CA-C-O 115.436 -2.221 . . . . 0.0 112.548 159.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -161.92 -39.48 0.04 OUTLIER 'General case' 0 C--N 1.281 -2.41 0 CA-C-N 123.032 2.651 . . . . 0.0 113.377 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.402 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 11.8 m -36.75 97.93 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 130.428 3.491 . . . . 0.0 113.266 165.316 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -83.18 163.93 20.49 Favored 'General case' 0 N--CA 1.528 3.461 0 C-N-CA 129.024 2.93 . . . . 0.0 108.261 162.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -144.18 151.87 40.1 Favored 'General case' 0 C--N 1.383 2.059 0 C-N-CA 125.592 1.557 . . . . 0.0 112.108 -169.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -135.6 143.95 45.87 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.907 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.64 143.69 49.68 Favored 'General case' 0 CA--C 1.58 2.131 0 C-N-CA 125.254 1.422 . . . . 0.0 111.956 175.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -137.65 89.58 15.36 Favored Pre-proline 0 CA--C 1.589 2.444 0 C-N-CA 127.668 2.387 . . . . 0.0 113.677 167.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -63.75 151.73 83.78 Favored 'Trans proline' 0 N--CA 1.491 1.367 1 C-N-CA 126.568 4.845 . . . . 0.0 110.538 174.082 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -163.73 174.81 39.95 Favored Glycine 0 N--CA 1.498 2.82 0 C-N-CA 130.652 3.977 . . . . 0.0 118.245 163.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -144.6 112.74 6.42 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 173.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 56.4 mtm-85 -148.49 176.03 10.65 Favored 'General case' 0 C--O 1.2 -1.511 0 C-N-CA 126.148 1.779 . . . . 0.0 112.783 -175.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.449 ' CE2' ' HA ' ' A' ' 76' ' ' PHE . 64.3 m-85 -85.61 175.42 8.78 Favored 'General case' 0 C--N 1.287 -2.111 0 O-C-N 118.115 -2.866 . . . . 0.0 110.295 164.208 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.462 ' CE2' ' HB3' ' A' ' 74' ' ' SER . 8.6 p90 -148.03 158.43 44.06 Favored 'General case' 0 C--O 1.285 2.95 0 O-C-N 125.64 1.837 . . . . 0.0 108.371 -173.053 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 23.2 t -132.25 126.15 55.36 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.053 0 O-C-N 127.083 2.74 . . . . 0.0 109.763 -170.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.7 m -127.75 176.67 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.059 0 N-CA-C 114.552 1.316 . . . . 0.0 114.552 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -136.66 151.65 49.53 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.256 -0.903 . . . . 0.0 110.088 169.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 22.2 m -134.13 -177.52 4.62 Favored 'General case' 0 C--O 1.273 2.333 0 C-N-CA 127.64 2.376 . . . . 0.0 114.223 -163.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -156.44 171.57 20.03 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 113.08 -1.873 . . . . 0.0 115.359 -175.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -73.33 142.54 47.08 Favored 'General case' 0 N--CA 1.517 2.895 0 C-N-CA 123.434 0.694 . . . . 0.0 110.78 173.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -45.13 148.84 0.54 Allowed 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 127.64 2.376 . . . . 0.0 115.883 173.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -67.98 137.9 92.4 Favored Pre-proline 0 C--O 1.258 1.543 0 N-CA-C 116.352 1.982 . . . . 0.0 116.352 169.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -69.21 -3.18 11.12 Favored 'Trans proline' 0 N--CA 1.404 -3.788 0 C-N-CA 122.332 2.021 . . . . 0.0 115.626 -172.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -145.75 10.78 1.22 Allowed 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 116.42 -1.753 . . . . 0.0 112.817 -172.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -135.59 129.02 32.26 Favored 'General case' 0 C--N 1.366 1.323 0 C-N-CA 125.82 1.648 . . . . 0.0 111.856 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 71.5 m 71.37 62.19 0.42 Allowed Pre-proline 0 N--CA 1.518 2.961 0 N-CA-C 121.083 3.735 . . . . 0.0 121.083 162.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -53.94 -12.83 3.77 Favored 'Trans proline' 0 CA--C 1.589 3.246 0 C-N-CA 124.55 3.5 . . . . 0.0 116.744 175.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -60.28 -23.51 64.21 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 116.761 -3.712 . . . . 0.0 116.878 178.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -138.37 128.66 15.16 Favored Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 118.89 -2.382 . . . . 0.0 114.087 -175.372 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.51 -27.1 23.32 Favored 'Trans proline' 0 C--N 1.372 1.801 0 C-N-CA 121.902 1.735 . . . . 0.0 115.606 -174.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 18.4 m -143.88 152.21 16.13 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.711 0 C-N-CA 128.417 2.687 . . . . 0.0 104.582 -178.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 3.2 m -133.15 147.17 64.1 Favored Pre-proline 0 C--O 1.271 2.214 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -72.58 149.76 49.95 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 O-C-N 124.499 1.789 . . . . 0.0 110.463 174.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 26.6 m -134.13 -12.67 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.453 0 N-CA-C 119.006 2.965 . . . . 0.0 119.006 175.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -151.37 160.17 43.9 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 125.613 1.565 . . . . 0.0 111.489 172.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 19.6 tp -126.28 107.84 10.71 Favored 'General case' 0 N--CA 1.506 2.331 0 C-N-CA 128.971 2.908 . . . . 0.0 107.573 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -82.86 -52.99 6.21 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 117.193 2.294 . . . . 0.0 117.193 -170.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.0 t -162.27 179.57 7.78 Favored 'General case' 0 CA--C 1.566 1.561 0 CA-C-N 112.887 -1.961 . . . . 0.0 113.839 -176.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 53.4 p -149.11 141.21 23.91 Favored 'General case' 0 C--O 1.253 1.284 1 C-N-CA 133.692 4.797 . . . . 0.0 111.08 -175.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.435 -1.223 1 C-N-CA 132.646 4.379 . . . . 0.0 118.849 -168.086 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo . . . . . 0 N--CA 1.431 -2.182 0 CA-C-O 117.693 -1.045 . . . . 0.0 111.328 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -56.06 -6.62 1.34 Allowed 'Trans proline' 0 CA--C 1.546 1.108 2 C-N-CA 126.794 4.996 . . . . 0.0 123.142 -171.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -162.6 16.92 0.08 Allowed 'General case' 0 N--CA 1.428 -1.573 0 O-C-N 126.539 2.399 . . . . 0.0 113.598 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -145.25 -169.29 3.17 Favored 'General case' 0 C--N 1.391 2.379 0 CA-C-O 122.664 1.221 . . . . 0.0 109.015 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.0 p -90.87 165.98 13.32 Favored 'General case' 0 N--CA 1.507 2.421 0 C-N-CA 127.438 2.295 . . . . 0.0 114.438 148.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -50.75 -46.49 59.32 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 167.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.79 -47.69 83.99 Favored 'General case' 0 CA--C 1.581 2.148 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.253 -174.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -71.64 -32.04 67.5 Favored 'General case' 0 C--O 1.259 1.591 0 CA-C-N 112.851 -1.977 . . . . 0.0 110.345 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 48.2 t-105 -75.82 -35.13 60.1 Favored 'General case' 0 CA--C 1.474 -1.955 0 CA-C-N 122.513 2.415 . . . . 0.0 114.0 175.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -45.0 -65.11 0.57 Allowed 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 116.845 -1.55 . . . . 0.0 110.361 154.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.23 83.02 Favored 'General case' 0 N--CA 1.39 -3.448 0 C-N-CA 124.282 1.033 . . . . 0.0 111.086 -168.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.2 mt -57.04 -29.15 30.73 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.501 0 C-N-CA 125.845 1.658 . . . . 0.0 112.885 173.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -92.17 -22.48 19.82 Favored 'General case' 0 C--O 1.281 2.726 0 CA-C-O 115.241 -2.314 . . . . 0.0 112.323 -176.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -138.26 -22.95 1.02 Allowed 'General case' 0 CA--C 1.594 2.656 0 N-CA-C 119.193 3.034 . . . . 0.0 119.193 -169.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . 0.372 49.8 mm -120.53 80.66 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.582 2.208 0 CA-C-N 120.521 1.509 . . . . 0.0 108.024 -159.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.2 m -130.15 112.87 13.81 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 125.254 1.422 . . . . 0.0 109.49 -170.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 tp -67.19 -26.24 66.53 Favored 'General case' 0 CA--C 1.571 1.755 0 CA-C-N 122.472 2.397 . . . . 0.0 117.128 -165.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -149.01 57.57 3.0 Favored Pre-proline 0 C--N 1.318 -0.786 0 O-C-N 118.792 -2.443 . . . . 0.0 116.298 177.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -56.71 169.84 1.61 Allowed 'Trans proline' 0 C--O 1.272 2.202 0 C-N-CA 122.916 2.411 . . . . 0.0 111.442 -170.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . 0.281 0.3 OUTLIER -71.96 179.53 4.77 Favored 'Trans proline' 0 CA--C 1.565 2.054 1 C-N-CA 130.171 7.247 . . . . 0.0 112.868 164.336 . . . . . . . . 4 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -54.42 147.44 13.8 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 165.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.492 ' SG ' ' HA ' ' A' ' 100' ' ' ASP . 88.9 m -47.43 -30.69 3.51 Favored 'General case' 0 C--O 1.282 2.807 0 N-CA-C 119.493 3.146 . . . . 0.0 119.493 169.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 p -52.49 -46.17 66.47 Favored 'General case' 0 C--N 1.397 2.672 0 CA-C-N 119.745 1.157 . . . . 0.0 112.301 169.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.8 mm -83.79 -43.64 17.97 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.894 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 174.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.01 -32.68 74.52 Favored 'General case' 0 C--N 1.313 -0.992 0 O-C-N 118.478 -2.639 . . . . 0.0 117.824 -175.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 84.4 mmm -57.16 -29.71 63.85 Favored 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 163.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -61.79 -22.78 65.74 Favored 'General case' 0 C--N 1.376 1.749 0 CA-C-O 117.78 -1.105 . . . . 0.0 110.821 -177.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.67 -18.48 54.1 Favored 'General case' 0 N--CA 1.513 2.68 0 N-CA-C 115.018 1.488 . . . . 0.0 115.018 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.1 pt -127.63 -38.15 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 126.097 1.759 . . . . 0.0 111.016 175.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.274 48.7 m-20 -73.73 -20.49 60.5 Favored 'General case' 0 CA--C 1.493 -1.229 0 CA-C-O 115.372 -2.251 . . . . 0.0 111.68 -175.327 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -110.19 19.02 19.36 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 123.742 2.974 . . . . 0.0 109.647 172.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -120.53 -5.71 9.78 Favored 'General case' 0 C--O 1.272 2.263 0 C-N-CA 130.325 3.45 . . . . 0.0 115.943 169.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -134.41 162.99 30.7 Favored 'General case' 0 N--CA 1.511 2.61 0 C-N-CA 127.287 2.235 . . . . 0.0 112.855 175.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -57.39 -22.66 44.3 Favored 'General case' 1 C--O 1.308 4.157 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 -171.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -139.6 156.81 46.65 Favored 'General case' 0 C--O 1.259 1.592 0 C-N-CA 127.674 2.39 . . . . 0.0 113.497 -171.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.1 m -82.21 111.82 18.66 Favored 'General case' 0 C--N 1.362 1.139 0 CA-C-O 116.11 -1.9 . . . . 0.0 113.88 174.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.435 ' HE2' ' O ' ' A' ' 40' ' ' GLN . 78.7 tttt -54.94 135.5 48.38 Favored 'General case' 0 CA--C 1.484 -1.584 0 C-N-CA 125.23 1.412 . . . . 0.0 111.428 171.111 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -76.67 -32.95 58.27 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 129.856 3.262 . . . . 0.0 112.483 -175.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.435 ' O ' ' HE2' ' A' ' 38' ' ' LYS . 88.7 mm-40 -145.36 143.72 30.29 Favored 'General case' 0 CA--C 1.573 1.862 0 N-CA-C 104.458 -2.423 . . . . 0.0 104.458 -173.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.412 ' ND2' ' CE1' ' A' ' 43' ' ' PHE . 15.5 t30 -155.64 161.24 40.83 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.183 -1.573 . . . . 0.0 109.273 168.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -136.62 137.72 40.41 Favored 'General case' 0 C--O 1.267 1.988 0 CA-C-N 112.515 -2.13 . . . . 0.0 112.16 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.412 ' CE1' ' ND2' ' A' ' 41' ' ' ASN . 14.9 m-85 -131.08 143.13 50.44 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 128.228 2.611 . . . . 0.0 107.613 -172.117 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mp -134.44 137.87 44.33 Favored 'General case' 0 C--N 1.401 2.821 0 C-N-CA 117.361 -1.735 . . . . 0.0 108.608 -165.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -96.36 42.51 1.09 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.346 1.458 . . . . 0.0 114.21 -174.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 t -106.01 167.39 9.83 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 129.957 3.303 . . . . 0.0 110.262 165.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.3 p -95.79 160.71 14.34 Favored 'General case' 0 CA--C 1.583 2.235 0 CA-C-N 121.867 2.121 . . . . 0.0 110.142 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -54.76 -52.95 60.96 Favored 'General case' 0 C--N 1.388 2.259 0 CA-C-N 114.876 -1.057 . . . . 0.0 113.061 -176.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.55 -29.06 67.65 Favored 'General case' 0 C--N 1.388 2.259 0 O-C-N 118.696 -2.503 . . . . 0.0 115.019 176.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -62.0 -38.91 90.37 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 120.892 1.678 . . . . 0.0 114.893 164.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.1 t -71.98 -34.84 52.06 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.018 0 CA-C-O 116.888 -1.53 . . . . 0.0 111.52 171.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.6 t -67.06 -35.14 73.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 CA-C-N 121.68 2.036 . . . . 0.0 110.137 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -66.83 -28.95 68.77 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-O 111.703 -3.999 . . . . 0.0 114.234 164.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.79 -37.37 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.322 0 CA-C-N 123.434 2.834 . . . . 0.0 114.947 163.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 35.3 m -50.09 -28.79 7.72 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 119.381 -2.074 . . . . 0.0 115.504 165.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.21 17.18 59.59 Favored Glycine 0 C--N 1.373 2.62 0 CA-C-O 114.418 -3.434 . . . . 0.0 116.576 170.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -84.54 166.41 17.23 Favored 'General case' 0 CA--C 1.593 2.604 0 CA-C-O 125.11 2.386 . . . . 0.0 108.552 167.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -44.67 147.8 0.57 Allowed 'General case' 0 CA--C 1.551 1.013 0 O-C-N 118.809 -2.432 . . . . 0.0 115.872 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.5 m -102.09 142.69 32.97 Favored 'General case' 0 C--O 1.273 2.294 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 -167.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.5 pt -150.65 -179.03 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.582 2.2 0 CA-C-N 113.237 -1.801 . . . . 0.0 109.791 -171.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.9 ptt-85 -115.99 152.68 33.04 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 126.926 2.09 . . . . 0.0 114.438 176.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 83.5 m -147.11 153.95 45.78 Favored Pre-proline 0 C--N 1.409 3.167 0 CA-C-O 124.22 1.962 . . . . 0.0 109.346 -171.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -74.04 -8.94 21.72 Favored 'Trans proline' 0 CA--C 1.591 3.356 0 O-C-N 116.965 -2.176 . . . . 0.0 117.726 -165.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -120.25 37.05 4.35 Favored 'General case' 0 C--O 1.265 1.882 0 O-C-N 126.581 2.425 . . . . 0.0 114.471 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -140.66 0.42 1.63 Allowed 'General case' 0 C--O 1.263 1.793 0 O-C-N 118.599 -2.563 . . . . 0.0 111.795 -152.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -57.03 -37.06 71.22 Favored 'General case' 0 CA--C 1.597 2.772 0 N-CA-C 117.668 2.47 . . . . 0.0 117.668 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.2 p -41.96 -30.0 0.25 Allowed 'General case' 0 C--O 1.176 -2.766 0 C-N-CA 127.824 2.45 . . . . 0.0 116.554 175.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -134.51 5.3 3.44 Favored 'General case' 0 N--CA 1.519 2.988 0 O-C-N 126.426 2.329 . . . . 0.0 115.563 168.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 31.44 52.92 0.2 Allowed 'General case' 0 N--CA 1.536 3.872 1 C-N-CA 131.749 4.02 . . . . 0.0 113.209 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -159.65 125.82 4.34 Favored 'General case' 0 CA--C 1.595 2.696 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 15.7 p -138.58 176.69 8.47 Favored 'General case' 0 CA--C 1.57 1.739 0 O-C-N 126.499 2.374 . . . . 0.0 112.704 169.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -155.33 163.43 40.13 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-O 116.589 -1.672 . . . . 0.0 112.48 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -130.62 151.49 51.02 Favored 'General case' 1 N--CA 1.54 4.067 0 C-N-CA 129.207 3.003 . . . . 0.0 116.009 170.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.9 p -64.65 154.05 37.64 Favored 'General case' 0 N--CA 1.432 -1.366 0 N-CA-C 116.733 2.123 . . . . 0.0 116.733 -173.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -76.25 -21.66 56.07 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 -169.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -150.58 178.55 8.97 Favored 'General case' 0 N--CA 1.416 -2.142 0 C-N-CA 128.787 2.835 . . . . 0.0 115.49 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -84.12 155.09 22.79 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-O 122.318 1.056 . . . . 0.0 109.86 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.8 m -149.95 148.4 24.97 Favored Pre-proline 0 CA--C 1.563 1.463 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 171.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -54.02 146.69 46.55 Favored 'Trans proline' 0 N--CA 1.498 1.789 0 O-C-N 118.748 -1.238 . . . . 0.0 111.865 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 pp -155.52 -171.91 3.95 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 125.41 1.484 . . . . 0.0 111.558 176.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 102' ' ' PRO . 47.5 tp -144.55 135.7 25.22 Favored 'General case' 0 CA--C 1.602 2.965 0 O-C-N 128.292 3.495 . . . . 0.0 108.98 -178.266 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -122.08 150.55 41.99 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 127.398 2.279 . . . . 0.0 109.296 169.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 62.9 m -129.19 153.42 47.75 Favored 'General case' 0 C--O 1.183 -2.441 0 CA-C-N 119.913 1.233 . . . . 0.0 111.671 -172.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -139.37 125.66 20.18 Favored 'General case' 0 CA--C 1.57 1.732 0 CA-C-O 125.735 2.683 . . . . 0.0 109.443 -175.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.0 tp -72.31 94.31 1.59 Allowed 'General case' 0 CA--C 1.595 2.699 0 C-N-CA 129.434 3.093 . . . . 0.0 107.064 172.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 28.6 pt -58.35 -25.42 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 CA-C-O 112.923 -3.417 . . . . 0.0 110.219 -161.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -125.1 104.54 29.36 Favored Pre-proline 0 N--CA 1.415 -2.196 0 CA-C-N 123.377 2.808 . . . . 0.0 111.495 -156.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . 0.284 94.8 Cg_exo -37.8 -39.23 0.78 Allowed 'Trans proline' 0 C--O 1.273 2.257 1 C-N-CA 128.021 5.814 . . . . 0.0 117.81 177.42 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -75.25 -29.36 60.39 Favored Glycine 1 CA--C 1.617 6.445 0 N-CA-C 119.258 2.463 . . . . 0.0 119.258 -177.364 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . 0.334 . . -74.15 130.96 40.79 Favored 'General case' 0 C--O 1.252 1.185 0 C-N-CA 125.386 1.474 . . . . 0.0 109.391 -171.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -138.08 -21.56 1.08 Allowed 'General case' 0 N--CA 1.51 2.528 0 CA-C-O 115.104 -2.379 . . . . 0.0 114.319 171.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -93.82 133.15 37.52 Favored 'General case' 0 CA--C 1.572 1.801 0 CA-C-O 124.839 2.257 . . . . 0.0 110.961 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.1 pt -41.58 -29.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.38 1.898 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 176.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 84.9 p -65.47 -24.56 67.19 Favored 'General case' 0 C--O 1.27 2.177 0 CA-C-N 121.115 1.779 . . . . 0.0 113.204 178.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -115.14 -37.18 4.17 Favored 'General case' 0 N--CA 1.517 2.899 0 N-CA-C 105.432 -2.062 . . . . 0.0 105.432 -160.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 74.4 m -53.28 136.13 37.34 Favored 'General case' 0 CA--C 1.62 3.652 0 CA-C-O 122.396 1.093 . . . . 0.0 112.73 -174.079 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -136.3 158.22 44.94 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 105.364 -2.087 . . . . 0.0 105.364 173.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -152.03 149.0 28.37 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 128.156 3.41 . . . . 0.0 113.471 -156.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -141.62 142.34 33.44 Favored 'General case' 0 N--CA 1.411 -2.406 0 C-N-CA 127.062 2.145 . . . . 0.0 114.466 -174.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.492 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 3.1 m-20 -84.13 158.56 21.33 Favored 'General case' 0 C--O 1.267 2.0 0 O-C-N 119.856 -1.777 . . . . 0.0 110.374 -172.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -145.41 82.86 9.4 Favored Pre-proline 0 CA--C 1.495 -1.137 0 C-N-CA 128.24 2.616 . . . . 0.0 108.598 162.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 81' ' ' LEU . 29.7 Cg_exo -58.95 179.6 0.19 Allowed 'Trans proline' 0 N--CA 1.5 1.885 1 C-N-CA 125.395 4.063 . . . . 0.0 110.582 174.787 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 161.86 -170.13 37.47 Favored Glycine 0 N--CA 1.515 3.951 0 CA-C-O 116.231 -2.427 . . . . 0.0 113.441 172.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 66.3 ttt-85 -146.57 123.05 11.05 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 121.029 2.415 . . . . 0.0 112.498 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -156.04 161.43 40.43 Favored 'General case' 0 N--CA 1.531 3.614 0 CA-C-N 124.878 3.49 . . . . 0.0 111.661 -166.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -66.3 162.76 19.45 Favored 'General case' 0 CA--C 1.569 1.687 0 CA-C-N 120.997 1.726 . . . . 0.0 107.639 162.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -139.45 156.9 46.66 Favored 'General case' 0 N--CA 1.399 -2.983 0 O-C-N 118.299 -2.751 . . . . 0.0 109.911 -173.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.6 t -120.98 135.3 61.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 -175.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.1 m -140.1 168.9 16.86 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.86 0 O-C-N 118.079 -2.888 . . . . 0.0 109.63 -166.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -131.87 146.51 52.16 Favored 'General case' 0 CA--C 1.588 2.43 0 O-C-N 120.751 -1.218 . . . . 0.0 109.822 159.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 24.3 m -133.91 163.22 30.0 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-O 125.381 2.515 . . . . 0.0 109.275 -176.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -143.9 167.9 21.22 Favored 'General case' 0 N--CA 1.424 -1.766 0 O-C-N 119.899 -1.751 . . . . 0.0 113.368 175.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -58.79 142.57 49.86 Favored 'General case' 0 C--N 1.278 -2.506 0 C-N-CA 127.87 2.468 . . . . 0.0 114.989 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . 0.305 11.0 ptm180 -35.44 121.78 0.6 Allowed 'General case' 0 C--N 1.304 -1.383 0 O-C-N 127.403 2.939 . . . . 0.0 113.162 171.019 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -49.14 130.69 16.18 Favored Pre-proline 0 C--N 1.307 -1.261 0 C-N-CA 129.903 3.281 . . . . 0.0 111.364 166.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . 0.324 55.1 Cg_endo -61.49 -10.24 15.7 Favored 'Trans proline' 0 C--O 1.187 -2.051 0 C-N-CA 123.585 2.857 . . . . 0.0 117.037 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 59.1 mtm180 -134.85 8.68 3.54 Favored 'General case' 0 CA--C 1.563 1.453 0 O-C-N 117.768 -3.083 . . . . 0.0 114.982 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . 0.277 33.3 t70 -139.22 156.05 47.36 Favored 'General case' 0 N--CA 1.513 2.699 0 N-CA-C 119.543 3.164 . . . . 0.0 119.543 177.459 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 38.0 m 33.81 58.87 1.89 Allowed Pre-proline 0 CA--C 1.563 1.445 0 C-N-CA 128.692 2.797 . . . . 0.0 117.795 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -49.47 -22.49 6.27 Favored 'Trans proline' 1 N--CA 1.575 6.321 0 CA-C-N 122.301 1.857 . . . . 0.0 111.7 174.098 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.466 ' HA ' ' NE ' ' A' ' 121' ' ' ARG 0.269 2.3 tpm_? -62.73 -17.86 61.58 Favored 'General case' 0 CA--C 1.559 1.321 0 C-N-CA 127.975 2.51 . . . . 0.0 112.796 177.529 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -125.72 92.28 46.76 Favored Pre-proline 0 C--N 1.287 -2.145 0 C-N-CA 129.046 2.939 . . . . 0.0 116.655 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . 0.285 71.8 Cg_endo -65.93 -19.92 58.06 Favored 'Trans proline' 0 CA--C 1.586 3.098 1 C-N-CA 126.148 4.566 . . . . 0.0 113.126 -169.83 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 1.5 m -136.34 151.82 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.715 0 CA-C-N 111.632 -2.531 . . . . 0.0 105.978 175.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 9.7 m -150.42 143.75 16.77 Favored Pre-proline 0 N--CA 1.394 -3.246 0 CA-C-O 115.183 -2.342 . . . . 0.0 113.382 -172.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -72.14 152.14 56.08 Favored 'Trans proline' 0 N--CA 1.425 -2.513 0 C-N-CA 124.001 3.134 . . . . 0.0 109.348 -174.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 26.7 m -128.46 -11.78 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.533 3.688 0 C-N-CA 125.408 1.483 . . . . 0.0 110.792 174.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -167.25 172.21 10.06 Favored 'General case' 0 CA--C 1.58 2.121 0 O-C-N 116.386 -3.946 . . . . 0.0 110.595 -167.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.7 tp -147.37 122.58 10.21 Favored 'General case' 0 C--O 1.208 -1.114 0 C-N-CA 129.457 3.103 . . . . 0.0 108.097 175.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -113.49 -26.75 8.16 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 119.531 3.16 . . . . 0.0 119.531 -167.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.5 t -174.37 176.63 2.38 Favored 'General case' 0 CA--C 1.495 -1.173 0 C-N-CA 126.666 1.987 . . . . 0.0 112.778 171.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 43.1 p -143.19 146.99 34.18 Favored 'General case' 0 CA--C 1.596 2.748 0 CA-C-O 114.502 -2.666 . . . . 0.0 113.971 174.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.254 1.332 0 CA-C-O 116.046 -1.931 . . . . 0.0 113.834 -168.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo . . . . . 0 C--O 1.273 2.243 0 N-CA-C 109.242 -1.099 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.35 68.2 Cg_exo -36.35 -34.1 0.15 Allowed 'Trans proline' 0 N--CA 1.417 -2.99 0 C-N-CA 123.681 2.921 . . . . 0.0 119.167 175.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -143.17 15.96 1.89 Allowed 'General case' 0 C--O 1.187 -2.2 0 O-C-N 118.627 -2.546 . . . . 0.0 115.953 -173.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -139.26 166.27 24.99 Favored 'General case' 0 C--O 1.194 -1.848 0 CA-C-O 126.358 2.98 . . . . 0.0 110.659 -169.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.3 p -80.63 164.88 22.54 Favored 'General case' 0 C--N 1.407 3.085 1 O-C-N 116.262 -4.024 . . . . 0.0 109.152 148.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -62.27 -31.98 72.63 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 174.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.48 -28.44 31.18 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 119.958 -1.714 . . . . 0.0 111.588 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -63.62 -38.3 90.6 Favored 'General case' 0 C--N 1.385 2.116 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 160.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -60.26 -48.18 82.84 Favored 'General case' 0 CA--C 1.575 1.908 0 O-C-N 118.181 -2.824 . . . . 0.0 112.187 172.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -52.62 -41.63 63.87 Favored 'General case' 0 CA--C 1.561 1.374 0 CA-C-O 116.488 -1.72 . . . . 0.0 111.463 174.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.79 -49.06 64.41 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-O 114.367 -2.73 . . . . 0.0 104.743 -177.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.5 mt -59.82 -46.51 93.61 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 CA-C-O 126.287 2.946 . . . . 0.0 116.113 -161.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -65.9 -37.98 87.51 Favored 'General case' 0 N--CA 1.411 -2.395 0 CA-C-N 112.531 -2.122 . . . . 0.0 116.083 175.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -133.58 -4.93 2.91 Favored 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 119.595 3.184 . . . . 0.0 119.595 -156.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.6 mm -125.81 108.13 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 C-N-CA 124.911 1.284 . . . . 0.0 111.866 174.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.8 m -149.02 129.34 13.76 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.086 2.155 . . . . 0.0 109.41 172.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 tp -73.17 -41.4 63.92 Favored 'General case' 0 N--CA 1.504 2.248 0 C-N-CA 128.111 2.564 . . . . 0.0 113.559 -176.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.5 p-10 -140.84 52.37 3.05 Favored Pre-proline 0 CA--C 1.578 2.032 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -173.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -69.1 165.53 29.91 Favored 'Trans proline' 0 N--CA 1.503 2.076 0 C-N-CA 122.331 2.021 . . . . 0.0 113.815 -161.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -79.23 -177.8 4.15 Favored 'Trans proline' 0 C--O 1.257 1.461 0 C-N-CA 124.148 3.232 . . . . 0.0 107.858 167.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.1 mtt-85 -63.92 155.4 30.9 Favored 'General case' 1 N--CA 1.545 4.306 0 C-N-CA 125.245 1.418 . . . . 0.0 113.909 176.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 73.2 m -58.2 -32.3 68.15 Favored 'General case' 0 N--CA 1.428 -1.575 0 O-C-N 116.614 -3.803 . . . . 0.0 119.685 -176.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.5 p -40.76 -26.83 0.04 OUTLIER 'General case' 0 N--CA 1.505 2.28 0 N-CA-C 119.194 3.035 . . . . 0.0 119.194 159.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 23.4 mm -109.74 -47.74 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.303 0 CA-C-N 118.82 0.736 . . . . 0.0 110.275 170.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.56 -43.23 45.88 Favored 'General case' 0 CA--C 1.562 1.411 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -176.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 10.2 mmm -65.13 -22.3 66.91 Favored 'General case' 0 N--CA 1.509 2.519 0 O-C-N 121.66 -0.65 . . . . 0.0 110.155 -176.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -63.73 -22.53 66.95 Favored 'General case' 0 C--N 1.38 1.901 0 CA-C-O 117.605 -1.188 . . . . 0.0 112.6 -174.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.55 -27.26 64.39 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 176.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.441 HD13 ' H ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -111.32 -25.31 3.57 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.303 0 N-CA-C 119.471 3.138 . . . . 0.0 119.471 160.249 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -83.0 -23.63 33.23 Favored 'General case' 0 CA--C 1.588 2.432 0 O-C-N 118.464 -2.647 . . . . 0.0 115.404 -174.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -100.92 22.74 11.67 Favored 'General case' 0 C--O 1.196 -1.743 0 CA-C-N 114.724 -1.125 . . . . 0.0 113.435 166.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -136.72 -59.57 0.71 Allowed 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 114.621 -2.609 . . . . 0.0 107.368 -169.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -65.02 163.27 15.04 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 122.27 2.305 . . . . 0.0 111.779 172.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -69.28 -7.86 40.77 Favored 'General case' 0 CA--C 1.579 2.086 0 C-N-CA 128.535 2.734 . . . . 0.0 113.024 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -147.96 146.31 28.92 Favored 'General case' 0 CA--C 1.596 2.749 0 C-N-CA 126.295 1.838 . . . . 0.0 110.653 -170.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 88.2 m -65.94 127.19 31.07 Favored 'General case' 0 N--CA 1.502 2.158 0 CA-C-O 124.698 2.19 . . . . 0.0 111.521 167.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -75.61 132.78 40.86 Favored 'General case' 0 N--CA 1.516 2.872 0 C-N-CA 127.575 2.35 . . . . 0.0 111.272 172.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -72.25 -53.79 11.48 Favored 'General case' 0 C--N 1.373 1.609 0 CA-C-N 112.836 -1.984 . . . . 0.0 108.232 -168.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -128.13 152.69 47.71 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-O 116.373 -1.775 . . . . 0.0 115.315 -175.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -157.61 155.51 30.26 Favored 'General case' 0 C--O 1.269 2.09 0 CA-C-N 125.13 3.604 . . . . 0.0 111.592 170.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.2 m -126.65 141.65 51.79 Favored 'General case' 0 N--CA 1.506 2.364 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -178.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.427 ' HE1' ' SG ' ' A' ' 83' ' ' CYS . 94.7 m-85 -133.77 125.55 28.75 Favored 'General case' 0 C--O 1.195 -1.795 0 CA-C-O 117.261 -1.352 . . . . 0.0 109.59 -172.161 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.1 mt -103.74 135.43 45.3 Favored 'General case' 0 N--CA 1.424 -1.727 0 CA-C-O 115.776 -2.059 . . . . 0.0 108.959 -166.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . 0.314 63.8 mtp180 -82.1 64.73 6.91 Favored 'General case' 0 N--CA 1.511 2.578 0 C-N-CA 128.898 2.879 . . . . 0.0 109.749 174.192 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.7 t -133.7 -165.63 1.66 Allowed 'General case' 0 C--N 1.371 1.514 0 C-N-CA 126.36 1.864 . . . . 0.0 109.771 170.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.6 p -140.44 145.52 37.09 Favored 'General case' 0 CA--C 1.607 3.172 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -51.13 -45.96 61.79 Favored 'General case' 0 CA--C 1.481 -1.703 0 CA-C-O 117.115 -1.422 . . . . 0.0 111.385 -175.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.8 1.08 1.45 Allowed 'General case' 0 N--CA 1.414 -2.273 0 O-C-N 125.973 2.046 . . . . 0.0 112.146 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -119.04 -6.93 10.44 Favored 'General case' 0 N--CA 1.431 -1.4 0 CA-C-O 124.797 2.237 . . . . 0.0 115.426 172.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.6 t -84.66 -28.07 6.81 Favored 'Isoleucine or valine' 0 C--N 1.388 2.272 0 C-N-CA 130.655 3.582 . . . . 0.0 111.732 169.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.2 t -55.96 -35.05 39.48 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.197 0 O-C-N 118.176 -2.828 . . . . 0.0 112.045 173.579 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -68.13 -25.11 65.12 Favored 'General case' 0 N--CA 1.507 2.409 0 O-C-N 127.811 3.194 . . . . 0.0 117.619 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.1 t -67.69 -30.92 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.382 0 O-C-N 117.226 -3.421 . . . . 0.0 114.94 174.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 72.6 m -65.79 -31.75 72.89 Favored 'General case' 0 C--O 1.208 -1.08 0 CA-C-O 115.619 -2.134 . . . . 0.0 106.088 175.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.02 -13.69 45.23 Favored Glycine 0 C--N 1.38 3.004 0 CA-C-O 127.006 3.559 . . . . 0.0 112.698 -168.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -55.07 173.06 0.1 Allowed 'General case' 0 C--N 1.301 -1.513 0 O-C-N 117.396 -3.414 . . . . 0.0 111.056 163.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -51.97 142.85 14.85 Favored 'General case' 0 N--CA 1.512 2.657 1 O-C-N 116.068 -4.145 . . . . 0.0 117.003 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.6 m -82.02 143.71 31.38 Favored 'General case' 0 N--CA 1.495 1.786 1 O-C-N 113.878 -5.514 . . . . 0.0 114.517 -178.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . 0.269 7.3 pt -137.06 -174.5 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.204 -1.333 0 C-N-CA 131.216 3.807 . . . . 0.0 109.966 177.106 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.2 ptt-85 -131.84 141.73 49.51 Favored 'General case' 0 N--CA 1.478 0.942 1 C-N-CA 131.711 4.004 . . . . 0.0 116.056 173.348 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 76.7 m -128.35 155.53 78.31 Favored Pre-proline 0 N--CA 1.392 -3.35 0 C-N-CA 128.893 2.877 . . . . 0.0 115.824 -174.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -91.29 18.19 1.27 Allowed 'Trans proline' 0 CA--C 1.547 1.128 0 O-C-N 124.902 2.001 . . . . 0.0 112.931 -162.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -140.08 39.75 1.95 Allowed 'General case' 0 N--CA 1.508 2.454 0 C-N-CA 124.877 1.271 . . . . 0.0 109.014 -177.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -154.15 12.42 0.42 Allowed 'General case' 0 N--CA 1.519 2.984 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -160.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -51.42 -18.58 1.08 Allowed 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 115.706 1.743 . . . . 0.0 115.706 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.9 p -56.12 -24.45 40.7 Favored 'General case' 0 N--CA 1.51 2.568 0 CA-C-O 125.31 2.481 . . . . 0.0 117.423 171.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -154.7 -10.67 0.13 Allowed 'General case' 0 C--O 1.245 0.863 0 O-C-N 119.772 -1.83 . . . . 0.0 114.468 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 58.8 t30 54.89 47.12 22.98 Favored 'General case' 0 CA--C 1.492 -1.276 0 O-C-N 118.843 -2.411 . . . . 0.0 116.135 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -155.66 120.95 4.86 Favored 'General case' 0 C--O 1.253 1.281 0 O-C-N 117.645 -3.159 . . . . 0.0 108.586 175.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 24.6 p -138.23 -175.61 4.17 Favored 'General case' 0 CA--C 1.621 3.704 0 C-N-CA 129.48 3.112 . . . . 0.0 105.723 174.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -157.45 172.97 17.62 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 125.573 1.549 . . . . 0.0 108.663 -170.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -149.28 157.2 43.15 Favored 'General case' 0 CA--C 1.57 1.715 0 O-C-N 118.245 -2.784 . . . . 0.0 115.483 178.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 27.6 p -70.64 153.52 42.77 Favored 'General case' 0 CA--C 1.49 -1.346 0 C-N-CA 126.019 1.727 . . . . 0.0 113.864 -171.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.9 mtt-85 -86.68 -13.25 46.0 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 118.93 -2.356 . . . . 0.0 111.606 -175.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -164.78 170.71 15.15 Favored 'General case' 0 CA--C 1.58 2.11 0 C-N-CA 126.383 1.873 . . . . 0.0 114.623 -170.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -88.44 143.7 26.83 Favored 'General case' 0 CA--C 1.498 -1.045 0 C-N-CA 125.322 1.449 . . . . 0.0 110.904 -169.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.9 m -127.88 144.99 53.39 Favored Pre-proline 0 N--CA 1.519 3.021 0 C-N-CA 130.055 3.342 . . . . 0.0 110.329 173.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -57.05 144.14 90.76 Favored 'Trans proline' 0 N--CA 1.441 -1.595 1 C-N-CA 126.353 4.702 . . . . 0.0 109.474 162.167 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -134.22 173.62 11.4 Favored 'General case' 0 C--O 1.272 2.264 1 C-N-CA 134.108 4.963 . . . . 0.0 113.457 175.773 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.8 tp -128.77 154.38 46.44 Favored 'General case' 0 N--CA 1.509 2.479 0 C-N-CA 125.787 1.635 . . . . 0.0 107.355 157.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -136.14 139.25 42.77 Favored 'General case' 0 C--O 1.257 1.493 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 167.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.427 ' SG ' ' HE1' ' A' ' 43' ' ' PHE . 69.3 m -109.5 148.73 30.7 Favored 'General case' 0 CA--C 1.491 -1.308 0 C-N-CA 125.792 1.637 . . . . 0.0 111.059 -173.348 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -144.94 88.88 1.92 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 127.0 2.12 . . . . 0.0 110.325 -159.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 17.7 tp -61.74 108.91 1.08 Allowed 'General case' 0 CA--C 1.577 2.001 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 177.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.5 pt -59.65 -9.83 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.581 2.146 0 N-CA-C 117.737 2.495 . . . . 0.0 117.737 -177.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -127.35 122.5 22.91 Favored Pre-proline 0 CA--C 1.592 2.585 0 O-C-N 119.246 -2.159 . . . . 0.0 110.52 -171.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -65.83 -13.69 41.03 Favored 'Trans proline' 0 C--O 1.196 -1.583 1 C-N-CA 125.45 4.1 . . . . 0.0 112.805 172.18 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -108.63 -25.55 5.68 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 126.208 1.861 . . . . 0.0 115.049 -167.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.02 128.16 34.79 Favored 'General case' 0 CA--C 1.573 1.863 0 C-N-CA 118.971 -1.092 . . . . 0.0 109.61 -174.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -138.82 -2.66 1.7 Allowed 'General case' 0 C--O 1.262 1.736 0 C-N-CA 125.183 1.393 . . . . 0.0 108.847 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -114.4 134.27 55.11 Favored 'General case' 0 C--O 1.284 2.905 0 N-CA-C 116.644 2.091 . . . . 0.0 116.644 164.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 37.2 pt -63.42 -10.44 6.59 Favored 'Isoleucine or valine' 0 C--O 1.273 2.316 0 C-N-CA 124.135 0.974 . . . . 0.0 112.178 -168.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.3 p -48.59 -31.09 6.08 Favored 'General case' 0 CA--C 1.467 -2.246 0 N-CA-C 117.561 2.43 . . . . 0.0 117.561 162.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -139.48 -20.64 0.93 Allowed 'General case' 0 CA--C 1.574 1.903 0 CA-C-O 116.457 -1.735 . . . . 0.0 113.291 -164.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 4.2 m -70.93 120.65 16.81 Favored 'General case' 0 C--O 1.27 2.15 0 O-C-N 125.518 1.761 . . . . 0.0 111.628 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.2 mtt-85 -128.04 165.22 20.73 Favored 'General case' 0 C--O 1.257 1.494 0 C-N-CA 126.805 2.042 . . . . 0.0 111.025 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -144.55 162.11 37.41 Favored 'General case' 0 CA--C 1.586 2.341 0 CA-C-O 123.882 1.801 . . . . 0.0 107.999 -156.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.04 157.9 36.74 Favored 'General case' 0 C--N 1.385 2.118 0 CA-C-N 112.016 -2.356 . . . . 0.0 116.072 163.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -112.8 106.61 14.98 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-O 126.467 3.032 . . . . 0.0 105.918 -163.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -103.8 88.56 1.91 Allowed Pre-proline 0 N--CA 1.534 3.768 0 O-C-N 117.559 -3.213 . . . . 0.0 113.226 172.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -46.99 173.37 0.03 OUTLIER 'Trans proline' 0 CA--C 1.586 3.123 0 C-N-CA 123.366 2.711 . . . . 0.0 116.575 165.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 177.58 -173.01 45.77 Favored Glycine 1 CA--C 1.581 4.159 0 O-C-N 120.066 -1.646 . . . . 0.0 112.125 156.226 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 56.7 ttt-85 -140.26 103.27 4.55 Favored 'General case' 0 C--N 1.4 2.784 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 -176.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 86.7 mtm-85 -151.43 150.08 30.01 Favored 'General case' 0 N--CA 1.509 2.524 0 N-CA-C 116.327 1.973 . . . . 0.0 116.327 -166.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -62.27 168.64 3.3 Favored 'General case' 0 N--CA 1.499 1.98 0 CA-C-N 112.871 -1.968 . . . . 0.0 109.244 169.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -151.15 154.45 36.93 Favored 'General case' 0 C--O 1.21 -1.0 0 O-C-N 120.399 -1.438 . . . . 0.0 112.893 -177.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.49 132.27 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.184 0 N-CA-C 105.793 -1.929 . . . . 0.0 105.793 -165.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.7 m -148.96 157.88 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 CA-C-O 124.542 2.115 . . . . 0.0 108.348 -164.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -123.47 162.76 22.21 Favored 'General case' 0 C--N 1.373 1.617 0 O-C-N 119.144 -2.223 . . . . 0.0 110.551 167.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 10.6 m -134.95 -179.66 5.75 Favored 'General case' 0 CA--C 1.587 2.402 0 CA-C-N 113.094 -1.867 . . . . 0.0 112.959 -162.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -144.13 164.12 31.59 Favored 'General case' 0 C--O 1.208 -1.127 0 C-N-CA 131.147 3.779 . . . . 0.0 113.454 -176.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -62.11 146.94 49.04 Favored 'General case' 0 C--O 1.262 1.711 0 C-N-CA 125.287 1.435 . . . . 0.0 107.435 169.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -45.06 141.67 2.2 Favored 'General case' 0 N--CA 1.503 2.197 0 CA-C-N 122.199 2.272 . . . . 0.0 112.723 163.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -63.68 152.66 85.74 Favored Pre-proline 0 C--O 1.263 1.779 0 C-N-CA 125.512 1.525 . . . . 0.0 110.696 -171.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -47.97 -27.1 8.3 Favored 'Trans proline' 0 CA--C 1.559 1.766 0 C-N-CA 124.007 3.138 . . . . 0.0 116.118 168.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 61.3 mtm180 -147.97 -32.61 0.26 Allowed 'General case' 0 N--CA 1.531 3.617 0 N-CA-C 119.397 3.11 . . . . 0.0 119.397 168.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -65.02 159.49 23.02 Favored 'General case' 0 N--CA 1.514 2.754 0 CA-C-N 121.869 2.122 . . . . 0.0 116.201 -177.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 48.9 m 40.63 49.91 3.46 Favored Pre-proline 0 C--N 1.369 1.437 0 N-CA-C 118.877 2.917 . . . . 0.0 118.877 170.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -73.14 -10.84 24.79 Favored 'Trans proline' 0 C--N 1.321 -0.919 0 N-CA-C 118.827 2.587 . . . . 0.0 118.827 -169.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -42.47 -28.99 0.25 Allowed 'General case' 0 CA--C 1.475 -1.922 0 CA-C-O 114.727 -2.558 . . . . 0.0 112.742 158.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -124.08 134.62 25.56 Favored Pre-proline 0 N--CA 1.516 2.857 0 CA-C-N 124.05 3.114 . . . . 0.0 112.535 -174.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -73.74 -11.72 24.07 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 O-C-N 127.874 3.565 . . . . 0.0 115.939 -176.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.2 m -141.94 163.42 19.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.771 1 C-N-CA 132.544 4.338 . . . . 0.0 109.041 -174.012 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 10.0 m -136.56 147.95 61.78 Favored Pre-proline 0 N--CA 1.509 2.519 0 CA-C-O 116.7 -1.619 . . . . 0.0 113.814 156.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -84.44 135.75 6.22 Favored 'Trans proline' 0 CA--C 1.573 2.435 1 C-N-CA 125.559 4.173 . . . . 0.0 108.31 168.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 18.0 m -146.03 6.37 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.265 1.903 1 O-C-N 129.146 4.029 . . . . 0.0 118.57 -163.045 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 66.5 t-80 -163.26 136.95 5.84 Favored 'General case' 0 CA--C 1.569 1.693 1 O-C-N 115.013 -4.805 . . . . 0.0 109.141 172.474 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 57.8 tp -84.59 140.56 31.3 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 128.453 2.701 . . . . 0.0 112.078 169.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . 0.267 23.0 t70 -113.83 -54.48 2.6 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 176.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 14.1 t -165.22 175.68 9.06 Favored 'General case' 0 CA--C 1.593 2.632 0 O-C-N 123.973 0.796 . . . . 0.0 110.62 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 49.6 p -131.8 146.93 52.42 Favored 'General case' 0 CA--C 1.58 2.133 0 C-N-CA 126.772 2.029 . . . . 0.0 109.712 163.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.518 2.929 0 N-CA-C 119.355 3.094 . . . . 0.0 119.355 -175.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo . . . . . 0 CA--C 1.536 0.578 0 CA-C-O 124.287 1.703 . . . . 0.0 112.624 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -42.97 -11.22 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.384 1 C-N-CA 127.806 5.671 . . . . 0.0 119.764 -175.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -163.86 5.01 0.04 OUTLIER 'General case' 0 C--O 1.263 1.77 0 O-C-N 118.151 -2.843 . . . . 0.0 114.87 -174.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -147.4 164.21 34.04 Favored 'General case' 0 N--CA 1.504 2.239 0 CA-C-O 123.983 1.849 . . . . 0.0 109.172 178.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.7 p -67.56 167.25 13.29 Favored 'General case' 0 CA--C 1.571 1.775 0 O-C-N 120.234 -1.541 . . . . 0.0 110.23 164.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -78.01 -30.55 50.08 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 117.513 -3.242 . . . . 0.0 105.245 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.43 -42.56 78.28 Favored 'General case' 0 N--CA 1.42 -1.975 0 C-N-CA 127.194 2.198 . . . . 0.0 110.469 171.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -73.42 -44.14 58.97 Favored 'General case' 0 CA--C 1.586 2.328 0 C-N-CA 125.468 1.507 . . . . 0.0 109.851 176.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -69.87 -41.82 74.3 Favored 'General case' 0 N--CA 1.483 1.185 1 O-C-N 116.119 -4.113 . . . . 0.0 114.453 -173.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -53.05 -48.05 67.96 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-O 123.367 1.556 . . . . 0.0 112.842 168.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . 0.257 . . -58.42 -59.01 6.01 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-O 114.843 -2.503 . . . . 0.0 113.76 170.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.82 -16.01 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.279 0 CA-C-N 121.327 1.876 . . . . 0.0 112.407 -177.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -90.95 -14.16 32.1 Favored 'General case' 0 C--N 1.377 1.778 0 C-N-CA 115.958 -2.297 . . . . 0.0 113.163 174.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -169.05 -5.21 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.232 0 CA-C-N 124.832 3.469 . . . . 0.0 115.707 -145.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.424 HG23 HG23 ' A' ' 46' ' ' THR . 16.7 mm -127.72 99.51 5.3 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.842 0 CA-C-N 124.196 3.18 . . . . 0.0 110.877 -178.195 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -147.57 105.95 3.78 Favored 'General case' 0 C--O 1.208 -1.118 0 O-C-N 118.068 -2.895 . . . . 0.0 108.219 -170.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.1 tp -50.46 -42.06 53.82 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 129.385 3.074 . . . . 0.0 115.223 -174.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . 0.318 44.6 p-10 -147.85 54.64 1.93 Allowed Pre-proline 0 C--O 1.195 -1.816 0 CA-C-N 119.421 1.01 . . . . 0.0 108.36 -162.461 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -68.67 167.87 21.63 Favored 'Trans proline' 0 N--CA 1.506 2.255 1 C-N-CA 125.776 4.318 . . . . 0.0 114.576 -157.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -85.91 -166.07 0.31 Allowed 'Trans proline' 0 C--O 1.253 1.252 0 C-N-CA 122.626 2.217 . . . . 0.0 113.141 176.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.4 mtt-85 -68.1 147.72 51.94 Favored 'General case' 0 N--CA 1.417 -2.125 0 C-N-CA 124.759 1.224 . . . . 0.0 110.659 171.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 79.0 m -52.25 -23.06 5.07 Favored 'General case' 0 N--CA 1.507 2.41 0 N-CA-C 119.284 3.068 . . . . 0.0 119.284 168.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.5 p -50.4 -37.81 39.58 Favored 'General case' 0 C--N 1.307 -1.247 0 C-N-CA 125.637 1.575 . . . . 0.0 113.144 163.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.6 mm -99.73 -53.57 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.295 0 N-CA-C 105.67 -1.974 . . . . 0.0 105.67 -172.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . 0.269 . . -66.71 -33.73 76.29 Favored 'General case' 0 CA--C 1.602 2.947 0 C-N-CA 124.543 1.137 . . . . 0.0 113.552 -169.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.7 mmm -71.06 -14.54 62.36 Favored 'General case' 0 N--CA 1.533 3.702 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 176.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -58.08 -34.05 69.74 Favored 'General case' 0 N--CA 1.507 2.42 0 N-CA-C 105.789 -1.93 . . . . 0.0 105.789 177.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.294 . . -57.15 -15.1 4.84 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 126.165 1.786 . . . . 0.0 114.506 -173.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.75 -30.16 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 CA-C-N 120.994 1.724 . . . . 0.0 108.549 167.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -86.46 -22.01 26.72 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-O 126.418 3.009 . . . . 0.0 117.208 -168.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -88.48 -7.75 56.02 Favored 'General case' 0 CA--C 1.581 2.146 0 O-C-N 116.681 -3.762 . . . . 0.0 108.509 171.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -111.57 -19.12 12.64 Favored 'General case' 0 N--CA 1.527 3.397 0 C-N-CA 130.28 3.432 . . . . 0.0 115.335 -169.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -118.21 153.16 34.34 Favored 'General case' 0 C--O 1.252 1.237 0 CA-C-O 124.591 2.139 . . . . 0.0 113.266 170.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -65.06 -3.38 3.56 Favored 'General case' 0 N--CA 1.51 2.544 0 N-CA-C 120.005 3.335 . . . . 0.0 120.005 -170.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -145.98 168.28 21.25 Favored 'General case' 0 C--N 1.368 1.405 0 CA-C-O 125.483 2.563 . . . . 0.0 111.479 158.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 76.9 m -61.9 112.7 2.42 Favored 'General case' 0 N--CA 1.511 2.611 0 O-C-N 117.496 -3.253 . . . . 0.0 112.55 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -62.15 122.28 15.19 Favored 'General case' 0 CA--C 1.597 2.782 0 CA-C-O 114.971 -2.442 . . . . 0.0 112.424 165.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -55.59 -32.6 63.2 Favored 'General case' 0 N--CA 1.414 -2.268 0 N-CA-C 118.652 2.834 . . . . 0.0 118.652 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -147.09 154.17 40.82 Favored 'General case' 0 C--N 1.381 1.944 0 N-CA-C 117.154 2.279 . . . . 0.0 117.154 171.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -163.43 170.95 16.67 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 118.624 -1.231 . . . . 0.0 112.331 164.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 75.9 m -136.59 151.63 49.57 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-O 122.748 1.261 . . . . 0.0 110.273 -173.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -132.44 119.93 21.3 Favored 'General case' 0 CA--C 1.488 -1.442 0 CA-C-N 109.837 -3.347 . . . . 0.0 111.771 -178.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.4 mt -95.52 124.9 39.77 Favored 'General case' 0 C--O 1.197 -1.666 0 N-CA-C 105.444 -2.058 . . . . 0.0 105.444 -167.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -76.96 74.31 3.55 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-O 117.384 -1.293 . . . . 0.0 110.301 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.424 HG23 HG23 ' A' ' 16' ' ' ILE . 14.1 t -149.2 -173.53 4.4 Favored 'General case' 0 N--CA 1.515 2.798 0 C-N-CA 128.515 2.726 . . . . 0.0 111.478 -175.369 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 34.5 p -137.07 133.29 35.25 Favored 'General case' 0 C--O 1.272 2.238 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -49.92 -36.31 27.11 Favored 'General case' 0 C--O 1.248 0.997 0 O-C-N 118.017 -2.927 . . . . 0.0 115.741 -162.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.4 -27.32 62.28 Favored 'General case' 0 N--CA 1.537 3.908 0 CA-C-O 115.487 -2.197 . . . . 0.0 116.291 174.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -62.32 -43.57 98.51 Favored 'General case' 0 N--CA 1.404 -2.728 0 O-C-N 126.935 2.647 . . . . 0.0 111.016 166.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.2 t -61.36 -32.42 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.537 3.913 0 CA-C-O 116.86 -1.543 . . . . 0.0 110.28 174.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.7 t -69.24 -35.11 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.808 0 CA-C-O 113.523 -3.132 . . . . 0.0 114.86 169.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -63.32 -30.71 71.79 Favored 'General case' 0 C--O 1.191 -2.023 0 C-N-CA 115.059 -2.657 . . . . 0.0 111.8 167.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 32.5 t -67.28 -27.94 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.593 0 O-C-N 119.365 -2.084 . . . . 0.0 111.153 175.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . 0.286 28.5 m -61.41 -8.45 4.07 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 127.373 2.269 . . . . 0.0 113.681 165.557 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -112.17 -20.11 6.85 Favored Glycine 0 CA--C 1.459 -3.412 0 CA-C-O 116.851 -2.083 . . . . 0.0 116.855 165.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -52.14 163.65 0.36 Allowed 'General case' 0 CA--C 1.59 2.514 0 CA-C-N 120.147 1.973 . . . . 0.0 114.034 165.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -57.66 158.46 6.08 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 -160.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 74.1 m -89.29 131.33 35.43 Favored 'General case' 0 CA--C 1.575 1.913 0 CA-C-O 123.345 1.545 . . . . 0.0 107.674 -176.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.9 pt -133.78 177.4 7.09 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.774 0 C-N-CA 130.326 3.45 . . . . 0.0 109.03 172.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -122.61 142.6 50.46 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 119.002 -2.311 . . . . 0.0 111.789 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 89.9 m -131.07 147.27 65.61 Favored Pre-proline 0 CA--C 1.561 1.369 0 N-CA-C 108.174 -1.046 . . . . 0.0 108.174 -164.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -67.39 -2.24 7.89 Favored 'Trans proline' 0 C--N 1.299 -2.046 1 C-N-CA 128.566 6.177 . . . . 0.0 117.038 -171.425 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -135.6 34.54 2.95 Favored 'General case' 0 C--O 1.294 3.414 0 C-N-CA 126.285 1.834 . . . . 0.0 109.879 -169.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.276 9.4 t-20 -131.97 16.3 4.69 Favored 'General case' 0 C--O 1.277 2.531 0 CA-C-O 115.354 -2.26 . . . . 0.0 114.562 -156.447 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 -51.77 -11.54 0.15 Allowed 'General case' 0 N--CA 1.497 1.905 0 C-N-CA 128.021 2.528 . . . . 0.0 114.921 175.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.5 p -72.75 -22.95 60.78 Favored 'General case' 0 C--O 1.244 0.779 0 O-C-N 125.24 1.587 . . . . 0.0 109.696 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -155.54 -20.56 0.11 Allowed 'General case' 0 CA--C 1.575 1.929 0 N-CA-C 119.634 3.198 . . . . 0.0 119.634 -178.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.353 11.6 t-20 76.72 10.58 2.72 Favored 'General case' 1 N--CA 1.561 5.116 0 CA-C-N 113.784 -1.553 . . . . 0.0 115.121 177.972 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -131.62 145.48 51.71 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 125.963 1.705 . . . . 0.0 107.309 -177.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . 0.268 22.8 p -151.23 -179.34 7.26 Favored 'General case' 0 C--O 1.202 -1.438 1 C-N-CA 132.714 4.406 . . . . 0.0 107.657 170.942 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -150.89 165.8 32.53 Favored 'General case' 0 CA--C 1.588 2.411 1 CA-C-N 105.816 -5.175 . . . . 0.0 115.036 -177.349 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -145.85 145.36 30.72 Favored 'General case' 0 N--CA 1.531 3.577 0 C-N-CA 130.257 3.423 . . . . 0.0 112.206 -174.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.2 p -57.09 140.28 49.78 Favored 'General case' 1 C--N 1.237 -4.31 0 C-N-CA 126.111 1.765 . . . . 0.0 112.798 -175.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -52.69 -40.27 62.76 Favored 'General case' 0 CA--C 1.557 1.248 0 O-C-N 128.658 3.724 . . . . 0.0 113.94 168.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -139.63 159.46 42.11 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.191 -1.568 . . . . 0.0 109.754 -174.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 73.6 mtm180 -65.51 161.43 20.14 Favored 'General case' 0 N--CA 1.426 -1.662 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 173.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.3 m -133.46 145.14 55.2 Favored Pre-proline 0 C--N 1.359 0.993 0 CA-C-N 114.237 -1.347 . . . . 0.0 114.483 161.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -40.25 153.55 0.06 OUTLIER 'Trans proline' 0 C--O 1.205 -1.134 0 O-C-N 115.919 -2.727 . . . . 0.0 111.042 153.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.74 179.07 9.56 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 117.332 2.345 . . . . 0.0 117.332 171.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.8 tp -134.18 104.64 6.28 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 124.313 1.045 . . . . 0.0 112.267 178.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -75.44 154.01 37.31 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 117.174 -1.393 . . . . 0.0 112.147 163.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 60.5 m -142.83 147.61 35.71 Favored 'General case' 0 CA--C 1.475 -1.929 0 C-N-CA 125.096 1.359 . . . . 0.0 109.452 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -156.64 123.52 5.18 Favored 'General case' 0 C--N 1.315 -0.904 0 O-C-N 125.108 1.505 . . . . 0.0 110.532 -153.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.9 tp -73.59 103.47 4.21 Favored 'General case' 0 CA--C 1.578 2.042 0 O-C-N 127.872 3.233 . . . . 0.0 111.023 177.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.366 32.1 pt -74.04 32.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.266 1.968 0 C-N-CA 128.381 2.672 . . . . 0.0 112.493 174.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -148.02 106.39 3.65 Favored Pre-proline 0 C--O 1.256 1.402 0 CA-C-O 115.13 -2.367 . . . . 0.0 111.031 169.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -77.2 19.81 0.69 Allowed 'Trans proline' 0 CA--C 1.561 1.875 0 O-C-N 125.486 2.308 . . . . 0.0 115.631 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -136.14 -13.13 1.05 Allowed Glycine 0 N--CA 1.418 -2.515 1 CA-C-O 111.308 -5.162 . . . . 0.0 112.327 164.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.14 149.03 29.23 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 123.246 3.523 . . . . 0.0 112.588 170.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -143.84 -8.37 0.72 Allowed 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 175.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -122.61 137.51 54.87 Favored 'General case' 0 N--CA 1.499 2.0 0 C-N-CA 130.101 3.361 . . . . 0.0 110.31 -174.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 38.0 pt -63.72 -18.79 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.329 0 O-C-N 116.394 -3.941 . . . . 0.0 113.185 -171.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 64.5 p -56.29 -18.08 9.55 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 118.025 2.602 . . . . 0.0 118.025 160.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -132.52 -13.14 3.01 Favored 'General case' 0 C--N 1.382 2.015 0 N-CA-C 116.307 1.966 . . . . 0.0 116.307 -177.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 72.4 m -74.15 108.16 6.78 Favored 'General case' 0 CA--C 1.565 1.545 0 CA-C-N 111.642 -2.526 . . . . 0.0 109.808 178.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -117.81 146.65 43.7 Favored 'General case' 0 C--O 1.193 -1.87 0 CA-C-N 112.97 -1.923 . . . . 0.0 109.082 -179.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -128.68 162.11 28.12 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 119.392 -2.067 . . . . 0.0 109.052 -163.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -129.17 139.44 51.9 Favored 'General case' 0 C--O 1.248 0.993 0 C-N-CA 127.247 2.219 . . . . 0.0 108.463 169.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . 0.294 1.6 m-20 -66.1 111.66 3.5 Favored 'General case' 0 C--N 1.288 -2.067 0 C-N-CA 129.58 3.152 . . . . 0.0 110.78 158.174 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -109.27 99.95 38.76 Favored Pre-proline 0 CA--C 1.558 1.276 0 C-N-CA 127.074 2.15 . . . . 0.0 107.788 162.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -71.88 171.9 15.64 Favored 'Trans proline' 0 C--O 1.292 3.203 1 C-N-CA 125.47 4.113 . . . . 0.0 113.819 176.403 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -175.96 -173.08 41.33 Favored Glycine 0 N--CA 1.512 3.755 1 C-N-CA 130.87 4.081 . . . . 0.0 114.79 174.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -157.67 115.25 3.04 Favored 'General case' 0 C--N 1.403 2.907 0 CA-C-O 113.451 -3.166 . . . . 0.0 106.595 175.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 85.5 mtm-85 -150.2 148.39 28.86 Favored 'General case' 0 CA--C 1.569 1.708 1 O-C-N 131.406 5.441 . . . . 0.0 107.074 -168.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -65.48 164.67 13.49 Favored 'General case' 0 N--CA 1.502 2.168 0 C-N-CA 124.91 1.284 . . . . 0.0 108.415 156.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -151.67 151.63 31.72 Favored 'General case' 0 N--CA 1.52 3.049 0 O-C-N 120.037 -1.664 . . . . 0.0 112.118 -170.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 39.6 t -128.22 125.38 64.17 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.286 0 O-C-N 125.013 1.446 . . . . 0.0 110.476 -160.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.6 m -132.64 170.5 19.84 Favored 'Isoleucine or valine' 0 C--O 1.275 2.423 0 O-C-N 120.862 -1.149 . . . . 0.0 108.315 -171.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -122.08 159.42 27.14 Favored 'General case' 0 N--CA 1.512 2.639 0 CA-C-O 122.664 1.221 . . . . 0.0 109.071 159.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 22.4 m -134.84 151.91 51.31 Favored 'General case' 0 N--CA 1.436 -1.145 0 O-C-N 119.457 -2.027 . . . . 0.0 112.304 -173.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -118.26 170.49 8.85 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 120.873 -1.142 . . . . 0.0 112.432 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -57.98 144.71 38.56 Favored 'General case' 0 N--CA 1.401 -2.884 0 C-N-CA 128.256 2.622 . . . . 0.0 111.337 167.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -39.83 150.25 0.05 Allowed 'General case' 0 N--CA 1.52 3.074 0 CA-C-N 113.557 -1.656 . . . . 0.0 114.447 170.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -72.35 143.62 85.81 Favored Pre-proline 0 N--CA 1.524 3.241 0 CA-C-O 114.852 -2.499 . . . . 0.0 108.019 175.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -47.05 -28.3 7.19 Favored 'Trans proline' 0 N--CA 1.428 -2.341 0 C-N-CA 124.702 3.601 . . . . 0.0 113.237 175.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 34.7 mtm105 -133.47 -37.88 0.94 Allowed 'General case' 0 N--CA 1.513 2.692 0 O-C-N 119.522 -1.986 . . . . 0.0 111.135 -166.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.6 158.81 15.29 Favored 'General case' 0 CA--C 1.574 1.873 0 CA-C-O 124.752 2.215 . . . . 0.0 106.674 -161.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.9 m 42.46 67.62 3.31 Favored Pre-proline 0 C--O 1.293 3.361 0 N-CA-C 116.632 2.086 . . . . 0.0 116.632 175.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -76.16 -2.96 13.23 Favored 'Trans proline' 0 CA--C 1.58 2.79 0 N-CA-C 119.195 2.729 . . . . 0.0 119.195 -169.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . 0.288 23.7 ttm180 -73.6 -14.37 61.17 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.01 -1.681 . . . . 0.0 114.575 174.107 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 11.0 m-30 -114.63 132.17 23.02 Favored Pre-proline 0 N--CA 1.42 -1.954 0 C-N-CA 127.337 2.255 . . . . 0.0 106.97 -173.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -85.78 -30.58 0.42 Allowed 'Trans proline' 0 N--CA 1.417 -3.003 0 C-N-CA 124.809 3.673 . . . . 0.0 112.645 166.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.44 145.3 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 CA-C-O 116.491 -1.719 . . . . 0.0 107.799 175.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 19.4 m -133.92 149.15 70.94 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 127.789 3.181 . . . . 0.0 118.261 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -79.41 144.53 18.08 Favored 'Trans proline' 0 C--O 1.28 2.625 0 C-N-CA 124.413 3.409 . . . . 0.0 108.156 -171.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 16.1 m -138.08 -32.18 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.268 2.079 0 C-N-CA 126.754 2.022 . . . . 0.0 114.453 -165.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -144.04 162.53 35.98 Favored 'General case' 0 C--N 1.294 -1.82 0 C-N-CA 125.47 1.508 . . . . 0.0 109.762 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 19.9 tp -137.02 130.58 31.61 Favored 'General case' 0 C--O 1.196 -1.735 0 CA-C-O 112.039 -3.838 . . . . 0.0 106.87 -176.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.75 -46.15 3.16 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 123.001 2.637 . . . . 0.0 114.606 -170.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.0 t -148.06 171.01 16.52 Favored 'General case' 0 CA--C 1.598 2.79 0 O-C-N 124.548 1.155 . . . . 0.0 109.006 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 33.5 p -137.03 138.86 40.93 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 103.181 -2.896 . . . . 0.0 103.181 167.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.502 2.171 0 C-N-CA 125.104 1.362 . . . . 0.0 114.516 -173.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo . . . . . 0 CA--C 1.592 3.411 0 CA-C-O 122.788 1.078 . . . . 0.0 112.577 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 0.0 OUTLIER -47.89 -44.25 27.71 Favored 'Trans proline' 0 N--CA 1.503 2.055 0 C-N-CA 125.167 3.912 . . . . 0.0 116.873 -144.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -131.22 14.6 5.12 Favored 'General case' 0 CA--C 1.567 1.633 0 CA-C-O 113.019 -3.372 . . . . 0.0 117.784 175.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -139.95 163.8 31.69 Favored 'General case' 0 C--N 1.308 -1.232 1 O-C-N 129.3 4.125 . . . . 0.0 110.485 -165.511 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . 0.265 3.0 p -75.41 152.5 38.0 Favored 'General case' 0 N--CA 1.533 3.705 0 O-C-N 119.438 -2.039 . . . . 0.0 112.763 153.386 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -58.87 -37.01 75.57 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 117.333 -1.318 . . . . 0.0 113.214 -175.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . 0.298 . . -54.27 -53.78 49.01 Favored 'General case' 0 C--N 1.365 1.242 0 O-C-N 126.958 2.661 . . . . 0.0 115.216 166.46 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -56.81 -58.02 9.94 Favored 'General case' 0 CA--C 1.444 -3.113 0 CA-C-O 124.391 2.043 . . . . 0.0 114.725 175.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.268 4.8 t-105 -46.37 -28.42 1.34 Allowed 'General case' 0 C--N 1.416 3.464 0 O-C-N 118.174 -2.829 . . . . 0.0 115.398 168.217 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.429 ' CE2' ' HB2' ' A' ' 126' ' ' PRO . 35.9 t80 -76.19 -36.72 58.54 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 126.372 1.869 . . . . 0.0 110.561 175.351 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.06 -34.32 24.25 Favored 'General case' 0 N--CA 1.416 -2.131 0 O-C-N 125.66 1.85 . . . . 0.0 109.749 -170.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.5 mt -60.1 -38.46 77.02 Favored 'Isoleucine or valine' 0 C--N 1.359 1.004 0 C-N-CA 127.468 2.307 . . . . 0.0 114.65 170.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -85.95 -19.46 30.42 Favored 'General case' 0 CA--C 1.578 2.032 0 CA-C-O 115.13 -2.367 . . . . 0.0 109.634 -176.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -147.18 -14.21 0.41 Allowed 'General case' 0 CA--C 1.588 2.44 0 CA-C-N 124.319 3.236 . . . . 0.0 115.649 -164.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 46.2 mm -133.41 112.61 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 1 O-C-N 114.711 -4.993 . . . . 0.0 110.402 -163.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.8 m -155.57 108.75 2.74 Favored 'General case' 0 CA--C 1.475 -1.936 0 N-CA-C 101.861 -3.385 . . . . 0.0 101.861 -170.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.5 tp -41.35 -59.0 1.68 Allowed 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 122.202 2.273 . . . . 0.0 113.299 164.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -131.91 76.88 73.13 Favored Pre-proline 0 N--CA 1.489 1.494 1 O-C-N 129.578 4.299 . . . . 0.0 110.6 -175.126 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -59.43 156.88 33.7 Favored 'Trans proline' 0 C--N 1.379 2.179 1 C-N-CA 127.719 5.613 . . . . 0.0 112.62 176.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -77.73 172.57 15.5 Favored 'Trans proline' 0 C--N 1.352 0.717 0 CA-C-N 121.108 1.432 . . . . 0.0 113.598 156.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -41.42 136.03 1.87 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 126.903 2.627 . . . . 0.0 112.336 168.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 83.5 m -44.18 -35.7 2.34 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-O 113.902 -2.951 . . . . 0.0 112.314 174.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.6 p -52.63 -28.43 21.36 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 122.778 2.535 . . . . 0.0 112.069 172.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.5 mm -94.52 -43.97 13.27 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.143 0 C-N-CA 127.978 2.511 . . . . 0.0 112.673 178.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.81 -20.32 59.82 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 122.371 1.082 . . . . 0.0 113.399 -162.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 68.0 mmm -84.27 -19.13 34.36 Favored 'General case' 0 CA--C 1.499 -1.004 0 C-N-CA 125.78 1.632 . . . . 0.0 109.025 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -72.86 -20.12 61.17 Favored 'General case' 0 C--N 1.371 1.53 0 O-C-N 119.201 -2.187 . . . . 0.0 106.34 -176.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.53 -31.33 6.33 Favored 'General case' 0 C--O 1.201 -1.456 0 CA-C-O 117.523 -1.227 . . . . 0.0 113.228 165.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.3 pt -128.52 -39.47 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.225 0 CA-C-N 122.132 2.242 . . . . 0.0 112.578 -173.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.299 2.4 m-20 -63.91 -29.34 70.52 Favored 'General case' 0 N--CA 1.427 -1.593 0 O-C-N 118.549 -2.594 . . . . 0.0 117.116 171.083 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -108.83 45.65 1.02 Allowed 'General case' 0 C--O 1.203 -1.378 0 O-C-N 125.852 1.97 . . . . 0.0 108.712 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -156.25 -30.24 0.09 Allowed 'General case' 1 CA--C 1.632 4.132 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -91.0 161.92 14.94 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 128.533 2.733 . . . . 0.0 110.23 165.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 25.3 p-90 -66.37 -21.5 66.23 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 -172.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -145.97 175.95 10.06 Favored 'General case' 0 N--CA 1.528 3.459 0 CA-C-O 124.684 2.183 . . . . 0.0 107.798 176.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 38.9 m -85.75 125.93 33.6 Favored 'General case' 0 CA--C 1.565 1.553 0 CA-C-O 113.641 -3.076 . . . . 0.0 111.842 -168.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -64.09 127.79 32.98 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-N 122.242 2.292 . . . . 0.0 111.942 162.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -59.79 -51.63 68.91 Favored 'General case' 0 CA--C 1.585 2.308 0 C-N-CA 126.351 1.86 . . . . 0.0 111.934 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -134.46 151.07 50.92 Favored 'General case' 0 C--O 1.256 1.429 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.309 -173.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -148.35 171.04 16.64 Favored 'General case' 0 CA--C 1.591 2.556 0 O-C-N 124.782 1.301 . . . . 0.0 110.634 165.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.7 m -139.13 136.5 35.2 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 126.075 1.75 . . . . 0.0 113.927 168.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -114.77 131.16 56.88 Favored 'General case' 0 CA--C 1.58 2.113 0 N-CA-C 104.717 -2.327 . . . . 0.0 104.717 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.5 mt -87.32 131.28 34.31 Favored 'General case' 0 N--CA 1.504 2.23 0 C-N-CA 129.42 3.088 . . . . 0.0 109.129 170.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . 0.343 15.2 mtp180 -78.63 64.59 3.69 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 130.076 3.35 . . . . 0.0 113.145 173.599 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.347 12.9 t -147.88 179.49 7.68 Favored 'General case' 0 C--O 1.186 -2.26 0 C-N-CA 130.454 3.502 . . . . 0.0 115.468 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.0 p -109.51 146.93 33.78 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 128.828 2.851 . . . . 0.0 113.732 -175.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -57.64 -37.11 72.76 Favored 'General case' 0 C--N 1.384 2.073 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 -174.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.93 -29.16 64.92 Favored 'General case' 0 N--CA 1.398 -3.055 0 N-CA-C 116.535 2.05 . . . . 0.0 116.535 173.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -90.18 -23.5 21.29 Favored 'General case' 0 C--O 1.278 2.558 0 O-C-N 119.742 -1.849 . . . . 0.0 108.731 -175.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.7 t -71.5 -27.55 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.331 0 CA-C-N 122.19 2.268 . . . . 0.0 110.385 163.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.419 HG21 ' CD1' ' A' ' 122' ' ' TYR . 6.1 t -64.14 -23.56 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 O-C-N 116.713 -3.742 . . . . 0.0 116.269 164.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -65.55 -35.49 81.01 Favored 'General case' 0 N--CA 1.413 -2.312 0 CA-C-O 117.37 -1.3 . . . . 0.0 112.027 166.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 73' ' ' ARG . 65.0 t -79.63 -23.75 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.742 0 C-N-CA 127.476 2.31 . . . . 0.0 116.322 -172.489 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.6 m -55.74 -28.79 57.71 Favored 'General case' 0 N--CA 1.517 2.911 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 154.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.8 -5.24 57.65 Favored Glycine 0 C--O 1.25 1.142 0 O-C-N 127.841 3.213 . . . . 0.0 114.496 -173.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -83.77 147.46 27.59 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 130.542 3.537 . . . . 0.0 108.441 170.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -45.69 124.03 4.8 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 116.689 2.107 . . . . 0.0 116.689 -166.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 m -57.19 134.45 55.91 Favored 'General case' 0 C--O 1.255 1.346 0 O-C-N 119.329 -2.107 . . . . 0.0 116.267 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.2 pt -132.44 172.29 16.64 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.29 1 C-N-CA 131.958 4.103 . . . . 0.0 113.021 -178.159 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.65 144.14 26.96 Favored 'General case' 0 CA--C 1.483 -1.606 0 C-N-CA 128.701 2.8 . . . . 0.0 117.663 167.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 89.3 m -141.96 158.38 62.16 Favored Pre-proline 0 N--CA 1.509 2.504 0 CA-C-O 117.277 -1.344 . . . . 0.0 114.313 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -88.47 16.28 1.9 Allowed 'Trans proline' 0 C--N 1.367 1.502 0 N-CA-C 118.859 2.6 . . . . 0.0 118.859 -161.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -130.02 25.51 5.25 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 119.451 -2.031 . . . . 0.0 115.951 165.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -120.37 9.03 10.88 Favored 'General case' 0 N--CA 1.503 2.21 0 CA-C-N 115.167 -0.924 . . . . 0.0 113.149 -161.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 42.0 ptt85 -49.28 -31.93 9.92 Favored 'General case' 0 N--CA 1.428 -1.548 0 N-CA-C 117.978 2.584 . . . . 0.0 117.978 -176.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.76 -13.08 61.61 Favored 'General case' 0 N--CA 1.523 3.205 0 CA-C-N 121.6 2.0 . . . . 0.0 113.085 -175.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -127.29 -14.51 5.36 Favored 'General case' 0 C--O 1.194 -1.839 0 N-CA-C 118.297 2.702 . . . . 0.0 118.297 169.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 39.5 t30 54.88 36.86 27.59 Favored 'General case' 0 C--O 1.256 1.433 0 CA-C-N 120.191 1.36 . . . . 0.0 113.207 173.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -157.44 118.38 3.57 Favored 'General case' 0 C--N 1.36 1.051 0 CA-C-O 124.377 2.037 . . . . 0.0 109.197 -173.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 21.8 p -142.1 172.79 12.21 Favored 'General case' 0 C--O 1.251 1.144 0 O-C-N 120.345 -1.472 . . . . 0.0 108.831 177.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -137.85 163.02 32.45 Favored 'General case' 0 N--CA 1.401 -2.888 0 C-N-CA 127.327 2.251 . . . . 0.0 114.349 -177.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.433 ' O ' HG13 ' A' ' 54' ' ' VAL . 8.9 ptt180 -129.84 151.62 50.22 Favored 'General case' 0 C--O 1.183 -2.438 0 C-N-CA 129.514 3.125 . . . . 0.0 110.641 167.41 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.408 ' HB3' ' CD1' ' A' ' 107' ' ' TYR . 60.6 p -60.02 163.35 4.8 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 124.227 1.011 . . . . 0.0 112.868 174.655 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -92.33 -13.12 30.72 Favored 'General case' 0 C--N 1.362 1.13 1 O-C-N 116.142 -4.099 . . . . 0.0 112.574 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -156.05 174.48 15.3 Favored 'General case' 0 C--O 1.256 1.442 0 CA-C-O 127.996 3.76 . . . . 0.0 111.174 -179.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 74.1 mtm180 -72.43 154.5 40.85 Favored 'General case' 0 N--CA 1.513 2.68 0 O-C-N 117.141 -3.474 . . . . 0.0 108.953 175.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.6 m -137.71 154.32 74.72 Favored Pre-proline 0 C--N 1.364 1.209 0 N-CA-C 106.343 -1.725 . . . . 0.0 106.343 174.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -57.17 148.57 69.04 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 O-C-N 125.123 2.118 . . . . 0.0 116.987 149.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 pp -154.86 168.35 27.21 Favored 'General case' 0 C--O 1.273 2.297 0 CA-C-O 128.381 3.943 . . . . 0.0 108.42 -173.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 tp -140.07 117.36 11.31 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-O 126.65 3.119 . . . . 0.0 112.468 163.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 45.9 t60 -84.96 156.94 20.95 Favored 'General case' 0 C--N 1.379 1.891 0 O-C-N 117.86 -3.025 . . . . 0.0 110.111 164.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 95.6 m -137.33 144.98 42.85 Favored 'General case' 0 CA--C 1.589 2.448 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -144.7 143.22 30.61 Favored 'General case' 1 N--CA 1.539 4.002 0 O-C-N 125.282 1.613 . . . . 0.0 114.43 -165.15 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.1 tp -72.87 107.64 5.38 Favored 'General case' 0 C--O 1.258 1.517 0 O-C-N 123.917 0.761 . . . . 0.0 111.769 175.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 pt -80.29 -5.26 8.16 Favored 'Isoleucine or valine' 0 C--O 1.255 1.346 0 CA-C-N 119.755 1.161 . . . . 0.0 112.752 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -121.29 69.41 20.76 Favored Pre-proline 0 CA--C 1.557 1.249 0 O-C-N 117.509 -3.244 . . . . 0.0 114.59 173.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . 0.253 59.0 Cg_exo -42.89 -32.3 2.57 Favored 'Trans proline' 0 C--N 1.384 2.403 0 N-CA-C 120.629 3.28 . . . . 0.0 120.629 177.268 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -85.93 44.57 3.36 Favored Glycine 0 N--CA 1.488 2.122 0 CA-C-N 120.572 1.533 . . . . 0.0 111.935 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -144.32 155.36 43.78 Favored 'General case' 0 CA--C 1.561 1.398 0 O-C-N 120.347 -1.678 . . . . 0.0 111.052 175.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -148.03 -17.24 0.35 Allowed 'General case' 0 C--N 1.367 1.329 0 O-C-N 119.315 -2.116 . . . . 0.0 106.844 -175.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -104.59 137.39 42.49 Favored 'General case' 0 N--CA 1.438 -1.069 0 O-C-N 119.897 -1.752 . . . . 0.0 109.459 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.264 2.8 pp -54.57 -18.09 2.62 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.548 0 O-C-N 119.436 -2.04 . . . . 0.0 115.754 -177.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 85.7 p -61.28 -18.58 59.16 Favored 'General case' 0 C--O 1.213 -0.853 1 O-C-N 115.371 -4.581 . . . . 0.0 116.13 171.154 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -129.15 -10.05 4.76 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 117.557 -3.214 . . . . 0.0 119.298 170.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 76.6 m -59.5 122.91 15.21 Favored 'General case' 0 C--N 1.378 1.815 0 C-N-CA 126.465 1.906 . . . . 0.0 113.196 172.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -132.8 144.51 50.29 Favored 'General case' 0 N--CA 1.519 2.977 0 C-N-CA 131.11 3.764 . . . . 0.0 107.809 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -123.84 154.0 40.24 Favored 'General case' 1 CA--C 1.631 4.08 0 C-N-CA 129.479 3.112 . . . . 0.0 111.116 -170.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.81 166.26 24.01 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 117.776 -3.078 . . . . 0.0 109.395 165.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . 0.272 8.7 m-20 -83.35 129.25 34.98 Favored 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 129.379 3.072 . . . . 0.0 109.278 -170.414 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . 0.4 0.6 OUTLIER -125.05 57.75 16.91 Favored Pre-proline 0 CA--C 1.585 2.32 0 C-N-CA 127.319 2.247 . . . . 0.0 115.302 174.903 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -65.87 158.34 54.41 Favored 'Trans proline' 0 C--O 1.198 -1.494 1 C-N-CA 125.542 4.161 . . . . 0.0 112.687 -174.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 170.74 175.42 39.38 Favored Glycine 0 CA--C 1.575 3.825 0 CA-C-N 122.204 2.274 . . . . 0.0 112.208 -172.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -132.14 109.17 9.78 Favored 'General case' 1 CA--C 1.639 4.397 0 N-CA-C 116.52 2.045 . . . . 0.0 116.52 176.272 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 68.7 mtm-85 -137.91 170.62 15.73 Favored 'General case' 0 N--CA 1.526 3.326 0 C-N-CA 128.625 2.77 . . . . 0.0 114.859 -176.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -71.59 174.87 6.12 Favored 'General case' 0 C--O 1.194 -1.824 0 O-C-N 120.37 -1.456 . . . . 0.0 112.517 157.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.408 ' CD1' ' HB3' ' A' ' 74' ' ' SER . 25.0 p90 -150.04 155.72 40.4 Favored 'General case' 0 N--CA 1.412 -2.355 0 O-C-N 125.539 1.775 . . . . 0.0 114.631 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.51 ' O ' HD12 ' A' ' 129' ' ' LEU . 40.3 t -135.72 128.95 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.606 0 CA-C-N 113.99 -1.459 . . . . 0.0 110.635 -169.061 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 22.2 m -128.08 177.88 5.49 Favored 'Isoleucine or valine' 0 C--O 1.264 1.827 0 C-N-CA 131.285 3.834 . . . . 0.0 113.382 -172.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -134.01 151.36 51.41 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 126.341 1.857 . . . . 0.0 110.367 158.146 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 96.8 m -127.5 171.26 11.75 Favored 'General case' 0 CA--C 1.564 1.501 0 N-CA-C 117.238 2.31 . . . . 0.0 117.238 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -144.28 173.32 11.87 Favored 'General case' 0 CA--C 1.498 -1.02 0 C-N-CA 127.48 2.312 . . . . 0.0 114.138 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -56.08 166.29 0.82 Allowed 'General case' 0 CA--C 1.484 -1.584 0 CA-C-O 125.351 2.5 . . . . 0.0 113.05 160.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -54.9 153.81 5.88 Favored 'General case' 0 CA--C 1.562 1.416 0 O-C-N 118.343 -2.723 . . . . 0.0 113.376 169.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.49 146.43 89.67 Favored Pre-proline 0 N--CA 1.517 2.892 0 C-N-CA 127.584 2.354 . . . . 0.0 110.862 148.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -57.83 -33.11 96.51 Favored 'Trans proline' 0 N--CA 1.433 -2.068 0 C-N-CA 122.182 1.921 . . . . 0.0 114.634 -172.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -126.9 -24.5 3.48 Favored 'General case' 0 C--N 1.38 1.905 1 CA-C-O 110.471 -4.585 . . . . 0.0 113.075 -172.052 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -79.22 127.63 32.29 Favored 'General case' 0 CA--C 1.56 1.35 0 CA-C-N 125.19 3.632 . . . . 0.0 113.822 -174.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 67.7 m 51.17 70.92 1.71 Allowed Pre-proline 0 CA--C 1.572 1.808 0 N-CA-C 116.033 1.864 . . . . 0.0 116.033 172.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -51.99 -22.72 15.07 Favored 'Trans proline' 0 C--O 1.263 1.759 0 N-CA-C 120.262 3.139 . . . . 0.0 120.262 -178.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -51.79 -16.37 0.67 Allowed 'General case' 0 C--O 1.192 -1.946 0 N-CA-C 119.807 3.262 . . . . 0.0 119.807 166.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.419 ' CD1' HG21 ' A' ' 52' ' ' VAL . 23.2 m-85 -122.18 75.82 41.41 Favored Pre-proline 0 N--CA 1.409 -2.523 0 O-C-N 125.202 1.564 . . . . 0.0 110.241 -168.356 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -56.13 -22.78 41.39 Favored 'Trans proline' 0 C--O 1.253 1.25 1 C-N-CA 125.67 4.247 . . . . 0.0 114.769 177.322 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.8 m -129.43 161.11 39.56 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.518 0 C-N-CA 126.617 1.967 . . . . 0.0 107.473 167.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 17.8 m -151.46 143.48 16.13 Favored Pre-proline 0 CA--C 1.556 1.198 0 O-C-N 119.883 -1.761 . . . . 0.0 109.113 -176.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.429 ' HB2' ' CE2' ' A' ' 11' ' ' PHE . 66.3 Cg_endo -70.72 135.93 29.29 Favored 'Trans proline' 0 N--CA 1.418 -2.957 1 C-N-CA 126.764 4.976 . . . . 0.0 113.081 171.034 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . 0.264 27.6 m -122.19 -11.18 8.3 Favored 'Isoleucine or valine' 0 C--O 1.293 3.356 0 O-C-N 127.437 2.961 . . . . 0.0 113.733 -170.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -165.92 154.13 10.92 Favored 'General case' 0 C--N 1.399 2.735 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 108' ' ' VAL . 20.5 tp -127.45 144.56 51.04 Favored 'General case' 0 C--N 1.309 -1.166 0 C-N-CA 127.969 2.508 . . . . 0.0 110.849 166.744 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.475 ' H ' HD12 ' A' ' 129' ' ' LEU . 38.8 t70 -131.25 -27.77 1.97 Allowed 'General case' 0 C--N 1.291 -1.972 0 O-C-N 121.589 -0.694 . . . . 0.0 111.877 -159.414 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . 0.263 6.8 t -164.99 170.11 15.58 Favored 'General case' 0 C--O 1.26 1.644 1 C-N-CA 132.072 4.149 . . . . 0.0 110.114 179.514 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 73.4 p -143.63 125.54 15.23 Favored 'General case' 0 C--N 1.375 1.71 0 N-CA-C 105.151 -2.166 . . . . 0.0 105.151 170.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.369 1.44 0 N-CA-C 118.322 2.712 . . . . 0.0 118.322 -166.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo . . . . . 0 CA--C 1.578 2.696 0 CA-C-O 115.426 -1.989 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.287 70.8 Cg_endo -66.1 -15.5 48.78 Favored 'Trans proline' 0 C--N 1.3 -2.004 0 C-N-CA 125.083 3.855 . . . . 0.0 118.489 -175.104 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.26 26.8 pt20 -154.14 16.58 0.48 Allowed 'General case' 0 N--CA 1.439 -0.989 0 CA-C-O 115.27 -2.3 . . . . 0.0 109.178 -165.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -153.29 169.32 23.36 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 119.158 3.021 . . . . 0.0 119.158 -176.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.8 p -61.7 155.35 22.91 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 150.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -49.75 -37.18 28.46 Favored 'General case' 0 CA--C 1.562 1.429 0 O-C-N 119.358 -2.089 . . . . 0.0 114.522 148.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.9 -37.22 62.15 Favored 'General case' 0 N--CA 1.499 2.015 0 CA-C-N 121.198 1.817 . . . . 0.0 114.704 -174.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -64.1 -37.06 86.08 Favored 'General case' 0 CA--C 1.577 1.991 0 O-C-N 120.133 -1.604 . . . . 0.0 111.074 171.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -77.37 -28.84 53.04 Favored 'General case' 0 C--N 1.358 0.978 0 C-N-CA 123.063 0.545 . . . . 0.0 111.252 -172.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -53.53 -59.85 4.07 Favored 'General case' 0 N--CA 1.511 2.608 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 158.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.35 -41.93 90.37 Favored 'General case' 0 CA--C 1.559 1.325 0 O-C-N 121.158 -0.963 . . . . 0.0 111.664 -170.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.3 mt -62.16 -33.92 61.06 Favored 'Isoleucine or valine' 0 C--N 1.357 0.902 0 C-N-CA 119.302 -0.959 . . . . 0.0 110.817 176.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -71.52 -39.74 70.57 Favored 'General case' 0 C--O 1.288 3.122 0 CA-C-O 118.436 -0.793 . . . . 0.0 113.042 178.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -130.94 -9.34 3.89 Favored 'General case' 0 C--O 1.184 -2.377 0 N-CA-C 120.811 3.634 . . . . 0.0 120.811 -162.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 47.8 mm -122.73 99.15 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.028 1 O-C-N 114.916 -4.865 . . . . 0.0 110.244 -172.473 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.2 m -142.5 104.91 4.47 Favored 'General case' 0 CA--C 1.561 1.395 0 N-CA-C 104.817 -2.29 . . . . 0.0 104.817 -171.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.8 tp -64.46 -35.03 79.61 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 123.83 1.776 . . . . 0.0 111.268 -174.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -149.73 72.62 9.69 Favored Pre-proline 0 C--N 1.311 -1.07 0 O-C-N 118.468 -2.645 . . . . 0.0 109.103 -173.096 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -69.34 166.65 26.34 Favored 'Trans proline' 0 C--N 1.371 1.719 0 O-C-N 124.651 1.869 . . . . 0.0 112.065 -176.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -82.65 171.04 12.39 Favored 'Trans proline' 1 CA--C 1.612 4.377 1 C-N-CA 126.874 5.05 . . . . 0.0 109.432 160.79 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.5 mtt-85 -46.8 144.12 2.52 Favored 'General case' 0 C--O 1.252 1.214 0 C-N-CA 128.011 2.525 . . . . 0.0 110.237 176.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.488 ' SG ' ' HA ' ' A' ' 100' ' ' ASP . 93.3 m -57.23 -22.1 38.61 Favored 'General case' 0 N--CA 1.519 3.009 0 CA-C-O 114.766 -2.54 . . . . 0.0 117.537 -176.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 p -48.36 -27.44 2.58 Favored 'General case' 0 N--CA 1.512 2.668 0 C-N-CA 126.836 2.054 . . . . 0.0 113.931 164.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.4 mm -118.7 -39.64 2.05 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.101 0 CA-C-O 114.249 -2.786 . . . . 0.0 105.506 -170.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.72 -28.85 69.35 Favored 'General case' 0 C--O 1.266 1.925 0 CA-C-O 114.114 -2.85 . . . . 0.0 109.822 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 29.1 mmm -63.45 -16.21 59.95 Favored 'General case' 0 CA--C 1.487 -1.457 0 CA-C-N 125.049 3.568 . . . . 0.0 111.994 173.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -68.41 -20.16 64.65 Favored 'General case' 0 C--O 1.192 -1.934 0 C-N-CA 125.211 1.404 . . . . 0.0 113.732 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -24.39 66.52 Favored 'General case' 0 N--CA 1.425 -1.72 0 C-N-CA 126.52 1.928 . . . . 0.0 113.015 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 16.3 pt -126.75 -39.04 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.187 0 O-C-N 125.466 1.729 . . . . 0.0 113.978 172.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.354 42.7 m-20 -72.01 -13.01 61.5 Favored 'General case' 0 N--CA 1.42 -1.936 0 N-CA-C 118.796 2.888 . . . . 0.0 118.796 -174.154 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -110.96 30.44 6.86 Favored 'General case' 0 CA--C 1.624 3.8 1 O-C-N 116.246 -4.034 . . . . 0.0 107.2 173.747 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -152.91 -54.45 0.12 Allowed 'General case' 0 N--CA 1.498 1.967 0 C-N-CA 128.765 2.826 . . . . 0.0 105.709 -162.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -79.22 162.42 25.73 Favored 'General case' 0 C--O 1.253 1.282 0 CA-C-N 121.304 1.865 . . . . 0.0 112.323 166.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -68.24 -11.73 59.83 Favored 'General case' 0 CA--C 1.575 1.941 0 C-N-CA 126.424 1.89 . . . . 0.0 113.005 -167.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -155.64 140.26 16.96 Favored 'General case' 0 N--CA 1.499 1.996 0 CA-C-O 122.026 0.917 . . . . 0.0 110.226 -169.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.8 m -49.19 103.7 0.05 Allowed 'General case' 0 CA--C 1.567 1.622 0 C-N-CA 129.465 3.106 . . . . 0.0 111.013 167.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.423 ' HE2' ' O ' ' A' ' 40' ' ' GLN . 56.7 tttt -66.24 126.64 29.35 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 116.881 -3.637 . . . . 0.0 110.011 166.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -60.64 -43.37 97.63 Favored 'General case' 0 N--CA 1.39 -3.444 0 C-N-CA 128.928 2.891 . . . . 0.0 118.684 -170.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.423 ' O ' ' HE2' ' A' ' 38' ' ' LYS . 34.0 mm-40 -135.78 148.56 48.8 Favored 'General case' 0 C--O 1.196 -1.745 0 C-N-CA 125.05 1.34 . . . . 0.0 108.091 176.034 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -150.38 163.28 38.75 Favored 'General case' 0 CA--C 1.587 2.377 0 O-C-N 116.666 -3.771 . . . . 0.0 108.348 172.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.7 m -139.61 135.2 33.08 Favored 'General case' 0 N--CA 1.508 2.449 0 C-N-CA 125.506 1.522 . . . . 0.0 114.711 175.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -122.06 117.95 27.57 Favored 'General case' 0 CA--C 1.579 2.068 0 O-C-N 124.897 1.373 . . . . 0.0 108.101 -173.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -77.72 134.96 37.99 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 127.583 2.353 . . . . 0.0 115.366 172.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -93.82 65.73 3.61 Favored 'General case' 0 CA--C 1.589 2.459 0 CA-C-O 124.801 2.238 . . . . 0.0 107.147 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.298 6.3 t -135.1 175.65 9.39 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 118.106 -2.871 . . . . 0.0 108.183 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.0 p -97.47 152.4 19.01 Favored 'General case' 0 C--O 1.195 -1.765 0 O-C-N 120.803 -1.185 . . . . 0.0 109.64 173.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -49.74 -49.65 47.26 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 118.519 -2.613 . . . . 0.0 112.959 -175.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.29 -28.86 70.01 Favored 'General case' 0 C--N 1.305 -1.355 1 O-C-N 130.632 4.957 . . . . 0.0 111.575 -172.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -71.97 -26.98 62.48 Favored 'General case' 0 C--O 1.204 -1.326 0 CA-C-O 114.768 -2.539 . . . . 0.0 111.189 174.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.0 t -80.15 -36.18 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 CA-C-N 120.372 1.442 . . . . 0.0 110.737 171.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.1 t -53.78 -32.62 21.9 Favored 'Isoleucine or valine' 0 C--O 1.255 1.384 0 CA-C-O 115.241 -2.314 . . . . 0.0 111.85 175.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -71.12 -18.67 62.51 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 125.659 3.845 . . . . 0.0 114.834 176.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.4 t -74.32 -27.85 22.11 Favored 'Isoleucine or valine' 0 C--O 1.273 2.32 0 C-N-CA 126.887 2.075 . . . . 0.0 113.306 166.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 21.3 m -56.4 -45.08 80.81 Favored 'General case' 0 C--N 1.402 2.853 0 CA-C-O 122.23 1.014 . . . . 0.0 110.492 159.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.49 4.93 0.12 Allowed Glycine 1 N--CA 1.519 4.183 0 N-CA-C 121.248 3.259 . . . . 0.0 121.248 166.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -95.57 174.01 7.21 Favored 'General case' 0 N--CA 1.534 3.752 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 -175.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -46.97 147.77 1.27 Allowed 'General case' 0 CA--C 1.622 3.715 0 O-C-N 118.809 -2.432 . . . . 0.0 111.807 166.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.4 m -90.8 139.67 30.52 Favored 'General case' 0 N--CA 1.507 2.381 0 CA-C-N 122.585 2.448 . . . . 0.0 110.248 171.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.6 pt -137.96 -175.25 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 CA-C-O 126.143 2.878 . . . . 0.0 112.07 -177.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -109.97 148.37 31.76 Favored 'General case' 0 CA--C 1.49 -1.346 0 O-C-N 117.578 -3.201 . . . . 0.0 111.011 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 72.9 m -137.54 150.36 68.12 Favored Pre-proline 0 N--CA 1.48 1.062 0 O-C-N 125.011 1.444 . . . . 0.0 114.105 -173.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . 0.296 96.7 Cg_endo -72.8 -1.53 10.55 Favored 'Trans proline' 0 C--N 1.326 -0.624 1 C-N-CA 125.369 4.046 . . . . 0.0 112.485 -163.498 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -142.82 35.2 1.4 Allowed 'General case' 0 CA--C 1.581 2.151 0 CA-C-N 121.046 1.748 . . . . 0.0 114.58 -178.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -141.21 1.88 1.65 Allowed 'General case' 0 N--CA 1.499 2.018 0 C-N-CA 127.261 2.224 . . . . 0.0 111.046 -151.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.1 ptt85 -60.36 -19.54 56.01 Favored 'General case' 0 N--CA 1.494 1.734 1 O-C-N 115.414 -4.554 . . . . 0.0 114.432 -178.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.7 p -68.32 -29.39 68.13 Favored 'General case' 0 CA--C 1.493 -1.219 0 CA-C-O 114.371 -2.728 . . . . 0.0 112.245 175.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.472 HD23 ' H ' ' A' ' 68' ' ' LEU . 2.4 pt? -118.25 -9.29 10.47 Favored 'General case' 0 C--O 1.268 2.034 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 162.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.331 5.1 t30 47.19 47.42 16.44 Favored 'General case' 0 C--N 1.296 -1.728 0 C-N-CA 126.646 1.978 . . . . 0.0 112.035 171.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -159.79 119.95 2.99 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 129.37 3.068 . . . . 0.0 110.744 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 30.8 p -146.41 175.3 10.65 Favored 'General case' 0 C--N 1.286 -2.158 0 C-N-CA 127.521 2.328 . . . . 0.0 110.976 171.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -143.47 153.9 43.11 Favored 'General case' 0 C--N 1.365 1.269 0 O-C-N 120.401 -1.437 . . . . 0.0 110.988 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -114.47 159.97 19.73 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 126.495 1.918 . . . . 0.0 113.469 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 76.3 p -78.14 140.54 39.02 Favored 'General case' 0 N--CA 1.533 3.707 0 CA-C-N 114.378 -1.283 . . . . 0.0 111.518 -174.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -69.93 -29.47 66.63 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 -175.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -137.16 -175.79 4.16 Favored 'General case' 0 C--O 1.283 2.816 0 C-N-CA 129.197 2.999 . . . . 0.0 104.977 -169.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 -91.84 162.51 14.4 Favored 'General case' 0 C--O 1.248 1.02 0 C-N-CA 127.771 2.428 . . . . 0.0 111.399 168.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.5 m -148.72 145.76 20.62 Favored Pre-proline 0 C--O 1.272 2.249 0 C-N-CA 126.945 2.098 . . . . 0.0 106.78 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.76 156.2 67.05 Favored 'Trans proline' 0 CA--C 1.586 3.079 0 O-C-N 116.332 -2.51 . . . . 0.0 113.821 169.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . 0.334 2.1 pp -152.53 -175.34 5.25 Favored 'General case' 0 C--O 1.274 2.36 0 O-C-N 125.768 1.918 . . . . 0.0 108.057 -171.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.445 ' HA ' ' HA ' ' A' ' 102' ' ' PRO . 23.1 tp -151.9 108.43 3.46 Favored 'General case' 0 C--O 1.27 2.179 1 C-N-CA 134.343 5.057 . . . . 0.0 114.924 178.865 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.7 t60 -82.2 151.59 26.81 Favored 'General case' 0 C--N 1.362 1.141 0 C-N-CA 124.348 1.059 . . . . 0.0 111.021 167.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 90.8 m -138.73 144.17 39.39 Favored 'General case' 0 CA--C 1.486 -1.519 0 CA-C-O 117.541 -1.219 . . . . 0.0 112.864 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -140.93 121.35 14.04 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-O 115.4 -2.238 . . . . 0.0 111.634 -157.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 52.3 tp -65.35 92.74 0.13 Allowed 'General case' 0 CA--C 1.575 1.938 0 C-N-CA 127.448 2.299 . . . . 0.0 110.234 173.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 25.5 pt -66.34 19.11 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 N-CA-C 117.546 2.425 . . . . 0.0 117.546 172.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -146.32 103.25 4.04 Favored Pre-proline 0 C--N 1.394 2.518 0 O-C-N 119.874 -1.766 . . . . 0.0 112.234 172.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -71.01 -21.08 28.17 Favored 'Trans proline' 0 N--CA 1.445 -1.337 0 C-N-CA 121.991 1.794 . . . . 0.0 116.36 -175.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -85.45 -2.4 87.37 Favored Glycine 0 N--CA 1.48 1.62 0 CA-C-N 121.336 1.88 . . . . 0.0 116.585 171.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.8 131.36 35.88 Favored 'General case' 0 C--N 1.395 2.585 0 C-N-CA 115.877 -2.329 . . . . 0.0 113.036 173.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -121.5 -20.62 6.52 Favored 'General case' 0 C--N 1.361 1.093 0 CA-C-N 123.402 2.819 . . . . 0.0 115.888 172.098 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . 0.255 50.8 t30 -129.82 154.39 47.3 Favored 'General case' 0 N--CA 1.51 2.538 0 C-N-CA 117.098 -1.841 . . . . 0.0 111.754 -176.067 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 pp -65.5 -8.66 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 C-N-CA 127.029 2.132 . . . . 0.0 111.579 -159.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.8 m -73.55 -19.44 60.9 Favored 'General case' 1 N--CA 1.542 4.147 0 O-C-N 120.339 -1.476 . . . . 0.0 110.072 172.542 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -139.34 6.99 2.36 Favored 'General case' 0 C--O 1.263 1.771 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -171.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . 0.363 64.7 m -69.93 143.55 52.67 Favored 'General case' 0 C--N 1.365 1.265 0 C-N-CA 129.198 2.999 . . . . 0.0 113.032 173.042 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -155.64 139.37 16.11 Favored 'General case' 0 N--CA 1.499 1.993 1 C-N-CA 132.018 4.127 . . . . 0.0 113.443 -176.235 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -134.13 168.75 18.27 Favored 'General case' 0 C--O 1.28 2.685 0 O-C-N 118.868 -2.395 . . . . 0.0 113.279 -165.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -151.75 162.44 41.01 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-O 124.328 2.013 . . . . 0.0 110.603 177.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.488 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 1.2 m-20 -99.17 136.74 38.69 Favored 'General case' 0 C--O 1.246 0.919 0 C-N-CA 129.555 3.142 . . . . 0.0 107.725 -167.169 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -144.19 75.96 15.17 Favored Pre-proline 0 C--O 1.272 2.287 0 C-N-CA 128.508 2.723 . . . . 0.0 110.728 165.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.445 ' HA ' ' HA ' ' A' ' 81' ' ' LEU . 72.3 Cg_exo -38.2 164.07 0.02 OUTLIER 'Trans proline' 0 N--CA 1.505 2.192 0 C-N-CA 123.234 2.623 . . . . 0.0 117.271 163.224 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -173.75 -163.83 27.91 Favored Glycine 0 C--O 1.267 2.201 0 C-N-CA 116.738 -2.649 . . . . 0.0 118.645 162.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.6 ttt-85 -153.08 120.69 5.98 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 118.863 -2.551 . . . . 0.0 108.987 168.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -151.7 164.75 36.28 Favored 'General case' 0 N--CA 1.495 1.789 1 C-N-CA 131.804 4.042 . . . . 0.0 111.9 -165.042 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -76.78 173.27 11.87 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 121.42 -0.8 . . . . 0.0 110.229 158.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -158.59 161.85 37.28 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 121.526 1.966 . . . . 0.0 113.899 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.8 t -138.51 118.56 15.13 Favored 'Isoleucine or valine' 0 C--N 1.392 2.422 0 CA-C-O 123.39 1.567 . . . . 0.0 109.904 -163.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.6 m -127.52 164.43 28.63 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.283 0 C-N-CA 128.438 2.695 . . . . 0.0 108.467 -157.059 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -124.16 151.55 43.88 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-O 124.036 1.874 . . . . 0.0 108.247 169.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 55.5 m -127.55 175.56 8.16 Favored 'General case' 0 C--O 1.275 2.435 0 C-N-CA 127.305 2.242 . . . . 0.0 112.097 178.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -155.17 154.58 32.5 Favored 'General case' 0 C--N 1.29 -1.992 0 CA-C-N 111.276 -2.693 . . . . 0.0 114.923 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -51.99 141.53 17.76 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 127.461 2.976 . . . . 0.0 115.404 165.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.413 ' HE ' ' HB2' ' A' ' 114' ' ' ARG . 6.0 ptm180 -44.62 153.64 0.16 Allowed 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 131.254 3.822 . . . . 0.0 114.41 -178.373 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -73.84 138.11 76.6 Favored Pre-proline 0 CA--C 1.561 1.393 0 O-C-N 117.175 -3.453 . . . . 0.0 105.243 171.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -66.67 0.2 3.83 Favored 'Trans proline' 0 CA--C 1.557 1.642 0 CA-C-O 114.282 -2.466 . . . . 0.0 114.15 175.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 31.2 mtm105 -138.17 -49.39 0.56 Allowed 'General case' 0 C--O 1.273 2.302 0 CA-C-N 123.683 2.947 . . . . 0.0 113.081 164.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -58.08 117.35 4.27 Favored 'General case' 0 N--CA 1.497 1.883 0 CA-C-N 120.168 1.349 . . . . 0.0 114.095 -175.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.3 m 65.44 70.81 0.55 Allowed Pre-proline 0 C--O 1.252 1.226 0 CA-C-O 121.972 0.891 . . . . 0.0 110.612 159.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -66.97 -28.28 42.09 Favored 'Trans proline' 0 N--CA 1.51 2.472 1 C-N-CA 126.867 5.045 . . . . 0.0 115.713 -170.216 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 37.0 ttm105 -41.88 -35.95 0.95 Allowed 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 -177.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . 0.255 6.4 m-85 -106.52 130.06 23.51 Favored Pre-proline 0 CA--C 1.578 2.021 0 O-C-N 119.899 -1.751 . . . . 0.0 111.001 -173.103 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -78.69 -17.82 12.27 Favored 'Trans proline' 0 CA--C 1.565 2.053 0 CA-C-O 124.373 1.739 . . . . 0.0 112.139 174.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 4.0 m -145.05 141.7 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 C-N-CA 130.421 3.489 . . . . 0.0 112.173 -177.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 26.8 m -141.96 144.37 32.0 Favored Pre-proline 0 N--CA 1.482 1.175 0 O-C-N 117.455 -3.278 . . . . 0.0 106.675 -164.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -78.36 146.84 22.41 Favored 'Trans proline' 0 CA--C 1.555 1.546 0 O-C-N 126.376 2.777 . . . . 0.0 106.978 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 27.3 m -129.39 -12.01 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.609 3.222 0 CA-C-O 116.228 -1.844 . . . . 0.0 113.138 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -156.06 154.91 31.74 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 116.67 -1.634 . . . . 0.0 114.675 -171.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 25.7 tp -138.55 106.39 5.66 Favored 'General case' 0 N--CA 1.521 3.086 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 173.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -79.44 -37.53 36.8 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 128.392 2.677 . . . . 0.0 111.256 -174.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 8.0 t -173.18 179.73 2.15 Favored 'General case' 0 N--CA 1.523 3.22 0 O-C-N 118.464 -2.647 . . . . 0.0 108.843 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 45.4 p -140.48 149.33 42.39 Favored 'General case' 0 N--CA 1.517 2.894 0 N-CA-C 103.688 -2.708 . . . . 0.0 103.688 177.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.278 0.1 OUTLIER . . . . . 0 N--CA 1.512 2.647 0 O-C-N 119.537 -1.977 . . . . 0.0 112.192 -168.643 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo . . . . . 0 C--O 1.256 1.395 0 CA-C-O 115.738 -1.859 . . . . 0.0 114.448 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -45.74 -32.56 9.03 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 CA-C-O 115.256 -2.06 . . . . 0.0 116.021 -175.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -148.77 21.65 1.01 Allowed 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 123.949 3.068 . . . . 0.0 115.813 -175.24 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -141.49 -177.14 5.01 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 128.191 2.596 . . . . 0.0 111.281 -171.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 49.2 p -92.49 164.57 13.41 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 127.786 2.434 . . . . 0.0 112.927 146.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -54.38 -50.52 67.32 Favored 'General case' 0 CA--C 1.463 -2.399 0 C-N-CA 126.047 1.739 . . . . 0.0 110.432 178.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . 0.253 . . -71.13 -33.47 70.12 Favored 'General case' 0 CA--C 1.487 -1.459 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -173.353 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -64.11 -55.61 20.73 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-O 124.536 2.112 . . . . 0.0 111.798 169.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -51.55 -42.88 62.15 Favored 'General case' 0 N--CA 1.405 -2.698 0 O-C-N 120.632 -1.293 . . . . 0.0 113.775 175.099 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 126' ' ' PRO . 43.2 t80 -51.6 -57.0 10.38 Favored 'General case' 0 C--O 1.181 -2.521 0 O-C-N 118.832 -2.418 . . . . 0.0 108.718 168.317 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.82 -52.39 57.19 Favored 'General case' 0 C--O 1.182 -2.455 0 N-CA-C 119.885 3.291 . . . . 0.0 119.885 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.0 mt -58.33 -29.85 38.92 Favored 'Isoleucine or valine' 0 C--O 1.297 3.593 0 O-C-N 117.911 -2.993 . . . . 0.0 113.829 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -80.39 -19.29 46.62 Favored 'General case' 0 N--CA 1.511 2.579 0 C-N-CA 129.235 3.014 . . . . 0.0 114.867 173.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -153.75 -11.56 0.14 Allowed 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 118.471 2.767 . . . . 0.0 118.471 -158.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.6 mm -136.3 99.95 2.18 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.114 0 CA-C-O 122.79 1.281 . . . . 0.0 110.89 -173.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 m -151.52 102.34 2.88 Favored 'General case' 0 CA--C 1.566 1.577 0 C-N-CA 127.641 2.377 . . . . 0.0 108.0 -160.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.0 tp -54.14 -41.02 67.93 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 127.587 2.355 . . . . 0.0 114.764 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -147.85 70.27 11.22 Favored Pre-proline 0 C--N 1.387 2.226 0 O-C-N 125.736 1.898 . . . . 0.0 108.969 -171.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.523 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 36.7 Cg_endo -69.98 152.24 68.12 Favored 'Trans proline' 0 C--O 1.257 1.457 0 C-N-CA 123.919 3.079 . . . . 0.0 114.108 174.153 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.523 ' HD3' ' HA ' ' A' ' 20' ' ' PRO . 34.0 Cg_exo -68.09 -165.65 0.12 Allowed 'Trans proline' 0 CA--C 1.583 2.972 1 C-N-CA 125.937 4.425 . . . . 0.0 114.772 167.634 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.1 mtt-85 -53.6 153.24 4.46 Favored 'General case' 0 C--O 1.264 1.816 0 CA-C-O 123.77 1.748 . . . . 0.0 107.178 164.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 79.6 m -50.61 -39.39 50.06 Favored 'General case' 0 CA--C 1.58 2.098 0 O-C-N 118.804 -2.435 . . . . 0.0 113.206 163.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.5 p -45.42 -28.89 0.96 Allowed 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 119.859 3.281 . . . . 0.0 119.859 166.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.3 mm -100.67 -46.09 11.65 Favored 'Isoleucine or valine' 0 C--O 1.273 2.323 0 O-C-N 125.05 1.468 . . . . 0.0 108.351 170.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.77 -42.47 97.54 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 119.649 -1.907 . . . . 0.0 109.413 -167.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 81.7 mmm -53.75 -36.08 61.95 Favored 'General case' 0 CA--C 1.588 2.418 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 170.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -51.6 -32.83 30.29 Favored 'General case' 0 N--CA 1.522 3.153 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 -174.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.6 -28.23 0.57 Allowed 'General case' 0 CA--C 1.593 2.622 0 C-N-CA 130.172 3.389 . . . . 0.0 116.116 178.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.6 pt -132.87 -36.32 0.5 Allowed 'Isoleucine or valine' 0 C--O 1.198 -1.649 1 CA-C-O 111.21 -4.233 . . . . 0.0 105.337 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -88.36 -10.91 47.81 Favored 'General case' 0 N--CA 1.531 3.604 1 CA-C-N 127.173 4.533 . . . . 0.0 111.674 -163.178 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -116.72 17.85 15.08 Favored 'General case' 0 C--O 1.184 -2.384 0 C-N-CA 127.919 2.488 . . . . 0.0 106.048 177.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -141.02 -3.9 1.21 Allowed 'General case' 0 C--N 1.386 2.189 0 O-C-N 116.514 -3.866 . . . . 0.0 111.859 176.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -112.9 150.93 31.09 Favored 'General case' 0 C--N 1.305 -1.364 1 O-C-N 116.269 -4.019 . . . . 0.0 107.178 166.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -44.41 -32.33 1.32 Allowed 'General case' 0 CA--C 1.561 1.402 0 N-CA-C 121.101 3.741 . . . . 0.0 121.101 -177.463 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -143.94 151.16 39.41 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 127.443 2.297 . . . . 0.0 108.266 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 85.7 m -64.74 134.96 55.28 Favored 'General case' 0 CA--C 1.571 1.754 0 C-N-CA 128.475 2.71 . . . . 0.0 111.633 -176.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -68.47 129.09 38.9 Favored 'General case' 0 N--CA 1.521 3.109 0 CA-C-O 124.282 1.992 . . . . 0.0 109.842 165.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -55.27 -35.72 65.33 Favored 'General case' 0 N--CA 1.439 -0.995 2 O-C-N 114.746 -4.972 . . . . 0.0 116.353 176.538 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -151.69 149.1 28.72 Favored 'General case' 0 C--N 1.427 3.969 0 O-C-N 119.83 -1.794 . . . . 0.0 107.871 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -151.13 154.72 37.47 Favored 'General case' 0 CA--C 1.589 2.467 0 C-N-CA 126.454 1.901 . . . . 0.0 115.112 171.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 79.9 m -129.24 132.73 47.28 Favored 'General case' 0 C--O 1.262 1.727 0 CA-C-O 114.615 -2.612 . . . . 0.0 112.842 -172.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -124.49 116.52 22.64 Favored 'General case' 0 C--O 1.2 -1.537 0 C-N-CA 130.506 3.523 . . . . 0.0 109.773 -176.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.411 HD21 HG21 ' A' ' 132' ' ' THR . 16.0 mt -87.28 124.54 33.45 Favored 'General case' 0 C--N 1.378 1.813 0 O-C-N 119.781 -1.824 . . . . 0.0 109.241 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.419 ' HB2' ' HB2' ' A' ' 79' ' ' PRO . 27.7 mtp180 -82.04 77.3 8.87 Favored 'General case' 0 N--CA 1.472 0.663 1 O-C-N 129.257 4.098 . . . . 0.0 115.394 175.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.5 t -144.33 173.33 11.87 Favored 'General case' 0 C--N 1.373 1.592 0 N-CA-C 104.839 -2.282 . . . . 0.0 104.839 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.5 p -75.16 157.34 34.78 Favored 'General case' 0 N--CA 1.523 3.209 0 CA-C-N 114.305 -1.316 . . . . 0.0 110.976 164.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -68.01 -37.5 81.49 Favored 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 172.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.69 -19.56 65.02 Favored 'General case' 0 N--CA 1.535 3.793 0 C-N-CA 126.143 1.777 . . . . 0.0 113.332 178.1 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -91.53 -22.77 20.19 Favored 'General case' 0 N--CA 1.408 -2.549 0 N-CA-C 116.162 1.912 . . . . 0.0 116.162 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 t -73.62 -27.7 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-N 114.532 -1.213 . . . . 0.0 111.036 163.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.456 HG11 ' CD1' ' A' ' 122' ' ' TYR . 85.3 t -60.17 -44.72 95.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 CA-C-O 124.964 2.316 . . . . 0.0 106.014 168.395 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -59.86 -22.62 62.56 Favored 'General case' 0 N--CA 1.508 2.441 1 O-C-N 114.573 -5.079 . . . . 0.0 114.703 172.148 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.0 t -74.56 -39.4 47.31 Favored 'Isoleucine or valine' 0 CA--C 1.616 3.514 0 CA-C-N 119.469 1.031 . . . . 0.0 108.479 168.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 88.6 m -63.76 -18.84 64.47 Favored 'General case' 0 CA--C 1.564 1.489 0 C-N-CA 128.048 2.539 . . . . 0.0 113.113 172.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -83.44 -9.05 84.13 Favored Glycine 2 C--O 1.166 -4.121 0 C-N-CA 130.244 3.783 . . . . 0.0 117.346 170.126 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -89.11 175.01 7.56 Favored 'General case' 0 CA--C 1.555 1.172 0 O-C-N 117.449 -3.383 . . . . 0.0 110.604 -176.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -54.74 138.01 43.12 Favored 'General case' 0 N--CA 1.522 3.149 0 O-C-N 118.773 -2.454 . . . . 0.0 109.876 -172.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.7 m -62.27 124.09 19.96 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 130.124 3.37 . . . . 0.0 111.952 173.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.5 pt -120.79 177.51 3.19 Favored 'Isoleucine or valine' 0 C--O 1.265 1.902 0 C-N-CA 124.09 0.956 . . . . 0.0 111.396 169.02 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -117.57 146.86 43.32 Favored 'General case' 0 N--CA 1.515 2.786 0 C-N-CA 127.304 2.242 . . . . 0.0 110.764 168.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 75.9 m -148.05 154.94 43.65 Favored Pre-proline 0 C--N 1.304 -1.371 1 C-N-CA 134.457 5.103 . . . . 0.0 118.529 -159.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -89.6 2.42 5.53 Favored 'Trans proline' 0 C--N 1.376 2.017 0 N-CA-C 115.87 1.45 . . . . 0.0 115.87 -164.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -128.67 37.45 4.1 Favored 'General case' 0 CA--C 1.601 2.936 0 C-N-CA 125.156 1.382 . . . . 0.0 111.833 -174.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -146.4 10.18 1.1 Allowed 'General case' 0 CA--C 1.589 2.448 0 O-C-N 119.238 -2.164 . . . . 0.0 112.226 -145.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . 0.255 28.5 ptt-85 -57.04 -30.79 64.53 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.716 1.607 . . . . 0.0 114.282 -163.212 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.2 p -62.21 -20.94 64.71 Favored 'General case' 0 N--CA 1.5 2.052 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 -178.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -141.83 -7.78 0.95 Allowed 'General case' 0 C--O 1.265 1.918 0 CA-C-O 116.942 -1.504 . . . . 0.0 114.623 174.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 65.7 t30 48.89 40.17 15.98 Favored 'General case' 0 C--O 1.209 -1.066 0 N-CA-C 118.481 2.771 . . . . 0.0 118.481 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -141.9 147.99 37.98 Favored 'General case' 0 C--O 1.255 1.371 0 C-N-CA 125.248 1.419 . . . . 0.0 114.01 169.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.2 p -162.91 166.66 23.68 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 126.125 1.77 . . . . 0.0 114.851 -177.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -136.69 154.63 50.56 Favored 'General case' 0 C--N 1.308 -1.201 0 O-C-N 121.236 -0.915 . . . . 0.0 110.966 178.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -116.72 157.37 25.58 Favored 'General case' 0 CA--C 1.573 1.859 0 C-N-CA 123.87 0.868 . . . . 0.0 113.279 176.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.5 p -70.78 145.17 50.57 Favored 'General case' 0 CA--C 1.481 -1.679 0 CA-C-O 127.168 3.366 . . . . 0.0 110.875 -170.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 76.4 mtt-85 -70.22 -16.48 63.06 Favored 'General case' 0 C--N 1.391 2.382 0 CA-C-N 110.74 -2.936 . . . . 0.0 115.841 -175.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -164.82 173.27 11.92 Favored 'General case' 0 CA--C 1.588 2.406 0 C-N-CA 130.705 3.602 . . . . 0.0 112.081 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -74.97 151.73 38.82 Favored 'General case' 0 C--N 1.37 1.487 0 O-C-N 119.189 -2.194 . . . . 0.0 112.444 175.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.4 m -131.24 148.9 72.02 Favored Pre-proline 0 C--O 1.206 -1.205 0 CA-C-O 115.505 -2.188 . . . . 0.0 109.563 175.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.419 ' HB2' ' HB2' ' A' ' 45' ' ' ARG . 48.7 Cg_exo -51.47 154.03 9.41 Favored 'Trans proline' 0 CA--C 1.596 3.597 0 O-C-N 124.94 2.021 . . . . 0.0 114.958 155.347 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 pp -168.93 165.33 11.54 Favored 'General case' 0 C--O 1.192 -1.942 0 CA-C-O 125.116 2.389 . . . . 0.0 106.557 -173.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.7 tp -127.59 141.59 51.59 Favored 'General case' 0 N--CA 1.427 -1.623 0 O-C-N 117.933 -2.979 . . . . 0.0 109.812 172.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . 0.257 35.3 t60 -119.04 152.18 36.89 Favored 'General case' 0 C--O 1.204 -1.327 0 N-CA-C 103.347 -2.835 . . . . 0.0 103.347 174.55 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 99.3 m -141.56 131.41 24.37 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -171.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . 0.362 58.8 t0 -127.59 143.3 51.18 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 116.429 -1.748 . . . . 0.0 113.39 -160.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.6 tp -84.37 77.76 9.93 Favored 'General case' 0 CA--C 1.479 -1.761 0 N-CA-C 118.311 2.708 . . . . 0.0 118.311 172.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.4 pp -64.96 -0.26 0.71 Allowed 'Isoleucine or valine' 1 N--CA 1.547 4.413 0 CA-C-N 110.853 -2.885 . . . . 0.0 117.764 -177.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -126.12 82.91 64.43 Favored Pre-proline 0 C--O 1.268 2.034 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 162.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_exo -51.19 -16.47 2.94 Favored 'Trans proline' 0 C--N 1.37 1.692 1 C-N-CA 126.503 4.802 . . . . 0.0 118.247 172.306 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -71.32 -0.36 37.0 Favored Glycine 0 N--CA 1.482 1.761 0 CA-C-O 115.353 -2.915 . . . . 0.0 119.878 175.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -129.01 159.72 35.02 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-N 122.374 3.087 . . . . 0.0 112.093 -173.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -140.82 -9.27 1.04 Allowed 'General case' 0 C--O 1.256 1.437 0 CA-C-N 112.661 -2.063 . . . . 0.0 114.328 160.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -94.86 137.44 33.92 Favored 'General case' 0 CA--C 1.598 2.824 1 O-C-N 113.448 -5.782 . . . . 0.0 111.223 177.453 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.1 pt -51.66 -22.85 2.72 Favored 'Isoleucine or valine' 0 C--N 1.367 1.364 0 CA-C-O 115.905 -1.998 . . . . 0.0 116.059 -169.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.0 m -54.34 -22.97 13.56 Favored 'General case' 1 C--O 1.305 4.021 0 N-CA-C 118.758 2.873 . . . . 0.0 118.758 168.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -145.75 -5.67 0.62 Allowed 'General case' 0 C--N 1.254 -3.557 0 CA-C-N 114.285 -1.325 . . . . 0.0 112.822 -170.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.2 m -61.21 135.17 57.65 Favored 'General case' 0 CA--C 1.597 2.752 0 O-C-N 120.058 -1.651 . . . . 0.0 111.291 164.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 55.2 mtt-85 -153.51 152.62 31.16 Favored 'General case' 0 C--O 1.185 -2.329 0 CA-C-O 126.779 3.18 . . . . 0.0 111.289 174.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -135.55 166.96 22.0 Favored 'General case' 0 CA--C 1.574 1.892 0 CA-C-O 128.174 3.845 . . . . 0.0 115.578 -150.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -152.66 163.65 39.23 Favored 'General case' 0 C--O 1.28 2.678 0 CA-C-N 112.487 -2.142 . . . . 0.0 113.162 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -100.87 147.86 25.62 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 117.459 -3.276 . . . . 0.0 113.294 -166.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . 0.255 0.9 OUTLIER -147.21 64.48 8.85 Favored Pre-proline 0 N--CA 1.51 2.545 0 O-C-N 118.08 -2.888 . . . . 0.0 112.997 176.632 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . 0.333 44.9 Cg_endo -62.35 174.73 2.48 Favored 'Trans proline' 0 CA--C 1.489 -1.755 0 C-N-CA 124.855 3.703 . . . . 0.0 120.476 170.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 160.98 -178.16 37.06 Favored Glycine 1 CA--C 1.59 4.779 0 CA-C-O 118.315 -1.269 . . . . 0.0 113.172 -167.313 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 66.2 ttt-85 -149.74 119.97 7.29 Favored 'General case' 0 N--CA 1.415 -2.201 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 178.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 84.1 mtm-85 -159.34 172.59 17.7 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-O 116.815 -1.564 . . . . 0.0 111.21 -170.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -67.6 179.56 1.32 Allowed 'General case' 0 CA--C 1.59 2.519 0 N-CA-C 105.288 -2.115 . . . . 0.0 105.288 175.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.742 ' HB3' HG22 ' A' ' 132' ' ' THR . 51.9 p90 -152.15 163.48 39.28 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-O 125.718 2.675 . . . . 0.0 113.606 171.094 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.0 t -128.15 139.36 52.12 Favored 'Isoleucine or valine' 0 C--O 1.278 2.596 0 CA-C-N 113.305 -1.77 . . . . 0.0 113.682 -177.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 17.4 m -142.7 168.21 13.92 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.929 0 C-N-CA 126.912 2.085 . . . . 0.0 116.097 -178.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -133.65 156.02 48.64 Favored 'General case' 0 CA--C 1.599 2.863 0 N-CA-C 104.228 -2.508 . . . . 0.0 104.228 165.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.0 m -141.25 179.37 6.8 Favored 'General case' 0 C--O 1.282 2.768 0 C-N-CA 130.424 3.49 . . . . 0.0 115.316 -164.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -165.41 165.54 19.17 Favored 'General case' 0 N--CA 1.431 -1.395 0 CA-C-N 113.243 -1.799 . . . . 0.0 111.662 -171.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -55.79 145.92 23.01 Favored 'General case' 0 N--CA 1.519 2.978 0 N-CA-C 116.507 2.039 . . . . 0.0 116.507 168.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . 0.317 3.7 ptt180 -52.68 152.43 3.75 Favored 'General case' 0 C--O 1.284 2.873 0 C-N-CA 126.123 1.769 . . . . 0.0 112.614 -174.375 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -73.63 159.68 83.96 Favored Pre-proline 0 C--O 1.209 -1.071 0 CA-C-N 121.914 2.143 . . . . 0.0 114.263 172.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -72.57 -5.15 16.62 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 N-CA-C 117.631 2.127 . . . . 0.0 117.631 -171.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -143.66 -44.12 0.28 Allowed 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 118.97 2.952 . . . . 0.0 118.97 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -61.57 141.66 57.61 Favored 'General case' 0 N--CA 1.5 2.059 0 C-N-CA 125.95 1.7 . . . . 0.0 109.773 174.063 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 70.5 m 27.63 73.09 0.4 Allowed Pre-proline 0 C--O 1.255 1.379 0 C-N-CA 130.678 3.591 . . . . 0.0 116.939 170.033 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -75.21 11.19 1.56 Allowed 'Trans proline' 0 CA--C 1.51 -0.688 0 C-N-CA 122.709 2.273 . . . . 0.0 113.971 -174.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -62.08 -11.07 12.03 Favored 'General case' 0 N--CA 1.519 3.009 1 C-N-CA 135.796 5.638 . . . . 0.0 113.915 173.316 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.456 ' CD1' HG11 ' A' ' 52' ' ' VAL . 36.6 m-85 -144.66 138.48 14.55 Favored Pre-proline 0 C--O 1.273 2.294 0 O-C-N 118.752 -2.468 . . . . 0.0 115.458 -172.608 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -69.54 -19.71 36.8 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 CA-C-O 113.61 -2.746 . . . . 0.0 113.305 167.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 15.1 m -145.02 155.05 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 CA-C-N 122.265 2.302 . . . . 0.0 110.732 -176.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 27.5 m -140.33 139.3 20.45 Favored Pre-proline 0 CA--C 1.602 2.959 0 C-N-CA 126.844 2.058 . . . . 0.0 112.303 -177.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.476 ' HB2' ' CE2' ' A' ' 11' ' ' PHE . 84.1 Cg_endo -67.94 135.61 35.66 Favored 'Trans proline' 0 C--N 1.287 -2.707 1 C-N-CA 126.036 4.491 . . . . 0.0 111.544 172.095 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 34.6 m -125.22 -10.59 5.71 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.188 0 O-C-N 117.756 -3.09 . . . . 0.0 113.367 177.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -157.6 143.48 17.45 Favored 'General case' 0 C--O 1.261 1.679 0 C-N-CA 117.233 -1.787 . . . . 0.0 111.74 -177.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 13.1 tp -74.94 173.87 10.06 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 116.503 -1.713 . . . . 0.0 113.531 169.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -139.03 -42.54 0.47 Allowed 'General case' 0 C--O 1.271 2.201 0 CA-C-O 125.859 2.742 . . . . 0.0 114.747 144.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.5 t -168.05 154.01 7.27 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 113.178 -1.828 . . . . 0.0 114.448 -162.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.742 HG22 ' HB3' ' A' ' 107' ' ' TYR . 65.5 p -132.83 126.07 31.46 Favored 'General case' 0 N--CA 1.501 2.115 1 C-N-CA 132.888 4.475 . . . . 0.0 110.669 173.319 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.561 1.366 0 O-C-N 117.199 -3.438 . . . . 0.0 114.981 -154.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . 0.269 10.9 Cg_endo . . . . . 0 CA--C 1.554 1.504 0 N-CA-C 117.456 2.06 . . . . 0.0 117.456 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -45.08 -35.89 11.04 Favored 'Trans proline' 0 N--CA 1.513 2.662 1 C-N-CA 126.568 4.846 . . . . 0.0 118.022 -175.107 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -148.1 3.87 0.71 Allowed 'General case' 0 CA--C 1.6 2.874 0 O-C-N 120.717 -1.239 . . . . 0.0 113.585 -167.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.368 31.3 m-85 -142.5 147.88 36.74 Favored 'General case' 0 CA--C 1.577 1.985 0 O-C-N 118.765 -2.459 . . . . 0.0 104.839 -162.121 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.8 p -63.4 163.84 10.11 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 125.044 2.354 . . . . 0.0 108.847 159.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.502 ' HG3' HG12 ' A' ' 127' ' ' VAL . 14.8 tpt180 -60.94 -47.91 84.24 Favored 'General case' 0 C--N 1.403 2.924 0 CA-C-N 112.339 -2.21 . . . . 0.0 113.427 175.112 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.73 -31.76 69.92 Favored 'General case' 0 CA--C 1.589 2.475 1 C-N-CA 133.549 4.74 . . . . 0.0 110.311 175.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . 0.262 46.8 mt-30 -81.46 -32.53 32.5 Favored 'General case' 0 C--O 1.263 1.814 0 C-N-CA 126.459 1.904 . . . . 0.0 113.592 171.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -79.07 -30.6 44.04 Favored 'General case' 0 C--O 1.267 2.01 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -59.45 -34.05 72.04 Favored 'General case' 0 C--O 1.244 0.787 0 N-CA-C 115.808 1.781 . . . . 0.0 115.808 157.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . 0.317 . . -71.77 -52.45 17.55 Favored 'General case' 0 CA--C 1.596 2.735 0 CA-C-O 117.633 -1.175 . . . . 0.0 113.178 176.488 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.6 mt -47.69 -41.78 8.57 Favored 'Isoleucine or valine' 0 C--N 1.374 1.654 0 C-N-CA 124.343 1.057 . . . . 0.0 112.266 170.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -82.42 -14.45 55.14 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 120.608 3.559 . . . . 0.0 120.608 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.274 79.7 m-70 -142.6 -10.22 0.82 Allowed 'General case' 0 CA--C 1.578 2.044 0 CA-C-O 114.112 -2.851 . . . . 0.0 116.164 -166.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.4 mm -128.34 113.77 31.4 Favored 'Isoleucine or valine' 0 C--N 1.368 1.371 0 N-CA-C 118.299 2.703 . . . . 0.0 118.299 -168.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 64.8 m -159.87 108.84 1.77 Allowed 'General case' 0 CA--C 1.583 2.243 0 C-N-CA 127.804 2.441 . . . . 0.0 106.066 -176.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.9 tp -67.6 -13.97 62.53 Favored 'General case' 0 C--O 1.269 2.13 0 CA-C-O 113.605 -3.093 . . . . 0.0 112.958 -177.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -158.17 69.22 3.85 Favored Pre-proline 0 CA--C 1.628 3.949 0 N-CA-C 105.109 -2.182 . . . . 0.0 105.109 -177.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.405 ' CB ' ' HD2' ' A' ' 21' ' ' PRO . 2.2 Cg_endo -70.28 169.14 20.28 Favored 'Trans proline' 0 CA--C 1.579 2.758 0 CA-C-N 120.943 1.372 . . . . 0.0 114.062 -161.177 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.405 ' HD2' ' CB ' ' A' ' 20' ' ' PRO . 35.3 Cg_endo -72.34 176.39 8.7 Favored 'Trans proline' 0 C--O 1.261 1.633 0 C-N-CA 124.782 3.655 . . . . 0.0 111.152 166.066 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -64.14 140.77 58.9 Favored 'General case' 0 CA--C 1.581 2.16 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 172.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.401 ' C ' ' H ' ' A' ' 25' ' ' ILE . 12.6 m -45.1 -35.85 3.32 Favored 'General case' 0 C--O 1.255 1.345 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.2 p -58.97 1.07 0.07 Allowed 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 129.078 2.951 . . . . 0.0 115.66 175.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.401 ' H ' ' C ' ' A' ' 23' ' ' CYS . 15.7 mm -136.94 -29.23 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.466 -2.279 0 C-N-CA 127.586 2.354 . . . . 0.0 111.114 -177.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.11 -43.04 59.04 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 121.177 1.808 . . . . 0.0 111.558 176.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 39.9 mmm -50.3 -35.89 29.39 Favored 'General case' 0 C--O 1.205 -1.266 0 O-C-N 119.506 -1.996 . . . . 0.0 114.589 167.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -61.97 -22.8 65.95 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 124.705 2.193 . . . . 0.0 115.335 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.5 -24.08 12.17 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-N 111.428 -2.623 . . . . 0.0 118.039 170.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.83 -46.49 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.582 0 CA-C-O 117.234 -1.365 . . . . 0.0 111.234 165.425 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -80.29 -2.07 43.6 Favored 'General case' 0 CA--C 1.598 2.814 0 CA-C-N 121.214 1.824 . . . . 0.0 115.9 -167.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -95.97 11.21 34.77 Favored 'General case' 0 N--CA 1.521 3.078 0 O-C-N 120.944 -1.097 . . . . 0.0 109.3 165.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -131.39 -34.74 1.37 Allowed 'General case' 0 C--N 1.293 -1.872 0 C-N-CA 130.691 3.596 . . . . 0.0 117.316 -177.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -83.87 168.76 15.79 Favored 'General case' 0 N--CA 1.532 3.655 0 CA-C-N 122.116 2.235 . . . . 0.0 108.754 165.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -14.25 61.88 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 122.91 1.338 . . . . 0.0 112.676 -173.57 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -153.54 157.24 39.46 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.205 -173.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 85.9 m -69.93 120.11 15.16 Favored 'General case' 0 C--N 1.362 1.151 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.7 tttt -57.56 122.57 13.03 Favored 'General case' 0 CA--C 1.57 1.744 0 C-N-CA 127.264 2.226 . . . . 0.0 113.691 157.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -59.06 -47.21 86.05 Favored 'General case' 0 C--O 1.272 2.255 0 C-N-CA 128.313 2.645 . . . . 0.0 108.519 -170.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -145.11 151.07 37.91 Favored 'General case' 0 C--O 1.194 -1.842 0 C-N-CA 125.66 1.584 . . . . 0.0 108.569 -171.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -154.65 161.11 41.71 Favored 'General case' 0 N--CA 1.415 -2.201 0 C-N-CA 127.574 2.349 . . . . 0.0 108.35 170.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.5 m -131.29 134.39 46.33 Favored 'General case' 0 CA--C 1.478 -1.805 0 C-N-CA 128.118 2.567 . . . . 0.0 111.27 175.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -110.99 111.17 22.09 Favored 'General case' 0 N--CA 1.415 -2.19 1 C-N-CA 133.277 4.631 . . . . 0.0 113.363 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 75.0 mt -72.35 128.45 35.67 Favored 'General case' 0 C--N 1.374 1.643 0 N-CA-C 116.911 2.189 . . . . 0.0 116.911 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -80.59 76.62 7.45 Favored 'General case' 0 N--CA 1.505 2.312 0 CA-C-N 119.679 1.127 . . . . 0.0 111.451 171.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.271 1.2 t -158.05 175.03 14.32 Favored 'General case' 0 C--O 1.255 1.35 0 CA-C-O 125.565 2.602 . . . . 0.0 107.661 -174.033 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.3 p -115.93 148.96 39.48 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 111.371 -2.65 . . . . 0.0 116.401 -179.045 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -56.96 -38.97 73.7 Favored 'General case' 0 N--CA 1.5 2.033 0 C-N-CA 127.762 2.425 . . . . 0.0 114.604 -173.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.27 -20.45 63.92 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.86 -0.525 . . . . 0.0 111.615 177.291 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -72.93 -44.94 60.6 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 126.807 3.194 . . . . 0.0 114.577 175.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.5 t -67.25 -29.01 44.43 Favored 'Isoleucine or valine' 0 C--O 1.267 2.003 0 C-N-CA 127.422 2.289 . . . . 0.0 116.027 174.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 97.7 t -64.89 -30.6 50.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 120.0 1.273 . . . . 0.0 113.823 168.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -68.81 -16.14 63.7 Favored 'General case' 0 CA--C 1.584 2.265 0 O-C-N 119.757 -1.84 . . . . 0.0 114.058 166.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.4 t -79.83 -39.41 19.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 CA-C-N 122.049 2.204 . . . . 0.0 110.224 165.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 58.5 m -57.2 -22.54 41.49 Favored 'General case' 0 N--CA 1.517 2.923 0 N-CA-C 117.775 2.509 . . . . 0.0 117.775 169.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.04 -8.22 45.27 Favored Glycine 0 CA--C 1.546 1.99 1 C-N-CA 131.986 4.612 . . . . 0.0 113.082 176.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -52.35 151.69 3.88 Favored 'General case' 0 N--CA 1.503 2.213 0 CA-C-N 118.597 1.198 . . . . 0.0 112.275 152.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -38.18 148.82 0.04 OUTLIER 'General case' 0 C--N 1.375 1.687 0 CA-C-O 123.614 1.673 . . . . 0.0 114.513 172.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.2 m -79.37 131.96 36.27 Favored 'General case' 0 N--CA 1.499 1.986 0 CA-C-O 125.729 2.68 . . . . 0.0 110.262 171.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 13.6 pt -131.07 -172.06 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 C-N-CA 127.509 2.324 . . . . 0.0 105.523 173.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -142.24 146.11 34.8 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 130.131 3.372 . . . . 0.0 115.452 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 65.9 m -131.06 157.9 76.75 Favored Pre-proline 1 CA--C 1.632 4.099 0 CA-C-O 116.64 -1.648 . . . . 0.0 112.668 -158.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -59.66 -19.02 51.11 Favored 'Trans proline' 0 C--N 1.325 -0.685 1 N-CA-C 124.261 4.677 . . . . 0.0 124.261 172.654 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -131.79 58.36 1.74 Allowed 'General case' 0 CA--C 1.578 2.026 0 O-C-N 120.268 -1.52 . . . . 0.0 110.654 -168.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -151.46 -0.87 0.34 Allowed 'General case' 0 C--O 1.198 -1.625 0 N-CA-C 119.09 2.996 . . . . 0.0 119.09 -153.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.4 ptt-85 -48.31 -20.78 0.43 Allowed 'General case' 0 CA--C 1.541 0.63 1 C-N-CA 132.118 4.167 . . . . 0.0 115.059 -176.168 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.6 p -60.64 -25.23 66.15 Favored 'General case' 0 CA--C 1.581 2.135 0 CA-C-N 121.916 2.144 . . . . 0.0 112.872 167.084 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.302 2.4 pt? -141.32 -16.16 0.84 Allowed 'General case' 0 CA--C 1.589 2.459 0 O-C-N 118.445 -2.659 . . . . 0.0 116.225 -176.02 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.4 t30 51.49 33.18 9.9 Favored 'General case' 0 CA--C 1.613 3.401 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -168.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -146.54 140.72 26.35 Favored 'General case' 0 C--O 1.299 3.668 0 C-N-CA 123.723 0.809 . . . . 0.0 112.031 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.5 p -142.34 -178.68 5.86 Favored 'General case' 0 CA--C 1.564 1.509 0 CA-C-O 122.8 1.286 . . . . 0.0 111.557 172.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -147.41 147.0 29.79 Favored 'General case' 0 CA--C 1.563 1.467 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 171.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -121.62 155.53 34.9 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 124.363 1.04 . . . . 0.0 113.05 178.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.1 p -71.47 167.47 19.56 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 125.253 2.454 . . . . 0.0 109.12 -167.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 78.4 mtt-85 -92.01 -27.28 17.92 Favored 'General case' 0 N--CA 1.505 2.29 0 CA-C-O 123.78 1.752 . . . . 0.0 111.179 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -143.73 172.98 12.08 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-O 117.632 -1.175 . . . . 0.0 112.341 -176.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . 0.312 42.7 mtm180 -89.35 155.69 19.19 Favored 'General case' 0 N--CA 1.422 -1.826 0 O-C-N 125.01 1.444 . . . . 0.0 107.534 171.199 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.0 m -141.34 153.11 65.73 Favored Pre-proline 0 CA--C 1.577 2.011 0 C-N-CA 125.925 1.69 . . . . 0.0 107.445 174.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -54.45 146.52 51.84 Favored 'Trans proline' 0 C--N 1.378 2.103 0 C-N-CA 122.419 2.079 . . . . 0.0 112.12 165.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.0 pp -149.55 160.89 43.11 Favored 'General case' 0 N--CA 1.435 -1.187 0 O-C-N 125.247 1.592 . . . . 0.0 114.385 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.2 tp -129.12 106.91 9.17 Favored 'General case' 0 CA--C 1.559 1.304 0 CA-C-O 125.366 2.508 . . . . 0.0 107.299 176.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -76.57 145.07 39.24 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 127.299 2.239 . . . . 0.0 111.26 169.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 48.5 m -136.35 146.64 46.76 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 120.093 1.315 . . . . 0.0 108.221 -169.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 15.4 t70 -147.94 114.98 6.15 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 125.223 1.577 . . . . 0.0 109.882 -152.427 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 38.0 tp -60.72 94.07 0.03 OUTLIER 'General case' 0 C--N 1.39 2.362 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 170.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.3 pt -61.67 -10.02 3.68 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.428 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 174.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.284 52.2 t30 -112.14 59.89 0.55 Allowed Pre-proline 0 C--N 1.292 -1.917 0 C-N-CA 126.069 1.748 . . . . 0.0 113.717 174.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -57.54 -16.13 22.74 Favored 'Trans proline' 0 N--CA 1.498 1.774 0 CA-C-N 123.727 2.367 . . . . 0.0 113.678 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -44.31 -16.15 0.05 OUTLIER Glycine 0 C--N 1.361 1.955 0 O-C-N 117.976 -2.953 . . . . 0.0 117.608 168.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -142.78 173.49 11.49 Favored 'General case' 1 CA--C 1.631 4.089 0 O-C-N 125.393 1.29 . . . . 0.0 113.84 -162.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -156.44 -19.65 0.1 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 125.238 1.415 . . . . 0.0 114.484 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -60.35 128.78 38.4 Favored 'General case' 0 CA--C 1.599 2.832 0 CA-C-N 120.675 1.579 . . . . 0.0 115.044 155.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 15.6 pt -44.26 -36.01 1.17 Allowed 'Isoleucine or valine' 0 C--O 1.273 2.338 0 CA-C-O 114.438 -2.696 . . . . 0.0 113.747 161.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.5 m -65.13 -5.5 6.82 Favored 'General case' 0 N--CA 1.507 2.425 0 O-C-N 127.626 3.079 . . . . 0.0 115.286 174.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -140.75 -7.71 1.09 Allowed 'General case' 0 CA--C 1.588 2.408 0 N-CA-C 119.056 2.984 . . . . 0.0 119.056 172.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 74.1 m -64.35 144.8 56.9 Favored 'General case' 0 C--O 1.259 1.555 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 169.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -143.8 152.53 41.33 Favored 'General case' 0 C--N 1.387 2.239 0 N-CA-C 105.951 -1.87 . . . . 0.0 105.951 177.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' A' ' 84' ' ' ASP . 19.6 m-85 -134.41 168.4 19.0 Favored 'General case' 0 N--CA 1.513 2.701 0 CA-C-N 120.047 1.294 . . . . 0.0 113.404 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -147.56 149.7 33.08 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 127.332 2.253 . . . . 0.0 111.722 -176.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -76.39 143.73 40.48 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 125.477 1.511 . . . . 0.0 112.792 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -145.28 92.0 5.72 Favored Pre-proline 0 N--CA 1.509 2.521 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 178.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -70.26 170.86 16.16 Favored 'Trans proline' 0 C--O 1.264 1.788 1 C-N-CA 126.623 4.882 . . . . 0.0 110.946 176.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 178.53 176.59 46.55 Favored Glycine 0 CA--C 1.477 -2.287 0 C-N-CA 128.948 3.166 . . . . 0.0 108.34 172.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -144.15 97.44 3.05 Favored 'General case' 0 CA--C 1.563 1.46 0 CA-C-O 115.384 -2.246 . . . . 0.0 113.766 171.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 91.7 mtm-85 -134.13 160.28 38.28 Favored 'General case' 0 N--CA 1.511 2.623 0 C-N-CA 129.814 3.246 . . . . 0.0 112.178 -163.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . 0.291 29.4 m-85 -72.23 158.39 35.94 Favored 'General case' 0 CA--C 1.585 2.319 0 N-CA-C 106.703 -1.592 . . . . 0.0 106.703 164.082 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -141.77 166.12 25.61 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 113.031 -1.895 . . . . 0.0 112.919 -176.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.3 t -141.18 138.06 33.62 Favored 'Isoleucine or valine' 0 C--O 1.255 1.368 0 CA-C-N 114.503 -1.226 . . . . 0.0 113.238 -169.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.2 m -141.04 160.16 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.493 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -169.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -101.99 148.47 25.32 Favored 'General case' 0 C--O 1.269 2.09 0 C-N-CA 116.889 -1.924 . . . . 0.0 109.969 160.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 85.6 m -126.33 168.43 14.16 Favored 'General case' 0 N--CA 1.399 -3.013 0 O-C-N 118.746 -2.471 . . . . 0.0 104.674 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -144.45 169.22 18.36 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 113.843 -1.526 . . . . 0.0 112.738 -176.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . 0.281 31.4 t30 -65.64 147.42 53.42 Favored 'General case' 0 CA--C 1.552 1.057 0 O-C-N 117.738 -3.101 . . . . 0.0 112.454 167.377 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.98 136.01 2.23 Favored 'General case' 0 CA--C 1.578 2.02 0 C-N-CA 131.246 3.819 . . . . 0.0 115.917 165.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -50.25 146.42 8.69 Favored Pre-proline 0 N--CA 1.496 1.866 0 C-N-CA 127.563 2.345 . . . . 0.0 108.166 169.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -49.81 -28.28 17.56 Favored 'Trans proline' 0 N--CA 1.439 -1.714 0 C-N-CA 124.533 3.488 . . . . 0.0 116.304 175.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 69.7 mtt85 -130.5 -36.77 1.43 Allowed 'General case' 0 CA--C 1.571 1.76 0 CA-C-N 120.554 1.524 . . . . 0.0 112.965 -164.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -94.47 141.23 28.83 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 124.607 1.192 . . . . 0.0 108.61 -171.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.8 m 40.54 69.87 1.74 Allowed Pre-proline 0 C--N 1.31 -1.149 0 N-CA-C 119.669 3.211 . . . . 0.0 119.669 178.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -75.11 -27.89 9.45 Favored 'Trans proline' 0 CA--C 1.557 1.659 0 N-CA-C 119.389 2.803 . . . . 0.0 119.389 -177.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.54 -13.8 54.39 Favored 'General case' 0 C--O 1.211 -0.93 0 C-N-CA 124.003 0.921 . . . . 0.0 112.019 -168.467 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -89.92 113.67 57.91 Favored Pre-proline 0 C--N 1.289 -2.023 0 C-N-CA 126.834 2.054 . . . . 0.0 106.874 174.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -69.28 -20.3 37.27 Favored 'Trans proline' 0 CA--C 1.575 2.542 0 CA-C-N 120.74 1.3 . . . . 0.0 108.932 -174.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.2 m -151.71 160.94 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 127.987 2.515 . . . . 0.0 104.53 -172.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 20.6 m -145.87 141.2 16.43 Favored Pre-proline 0 C--N 1.347 0.492 0 C-N-CA 130.13 3.372 . . . . 0.0 115.353 -171.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.86 143.59 45.94 Favored 'Trans proline' 0 C--N 1.362 1.273 1 C-N-CA 125.339 4.026 . . . . 0.0 109.043 178.413 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.502 HG12 ' HG3' ' A' ' 7' ' ' ARG . 3.0 m -142.56 -19.11 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.612 3.357 0 CA-C-N 120.736 1.607 . . . . 0.0 112.542 -169.376 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -148.87 139.73 22.87 Favored 'General case' 0 CA--C 1.592 2.578 0 O-C-N 124.317 1.01 . . . . 0.0 110.698 176.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 24.3 tp -106.03 122.53 46.34 Favored 'General case' 0 N--CA 1.508 2.458 0 CA-C-O 115.75 -2.071 . . . . 0.0 108.602 170.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -95.44 -50.5 4.97 Favored 'General case' 0 N--CA 1.423 -1.793 0 O-C-N 126.761 2.538 . . . . 0.0 117.409 177.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . 0.299 9.1 t -162.61 167.44 23.24 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-N 120.176 1.353 . . . . 0.0 107.634 -176.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 19.0 p -133.07 129.62 38.27 Favored 'General case' 0 CA--C 1.591 2.529 0 C-N-CA 128.617 2.767 . . . . 0.0 112.392 173.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.254 0.0 OUTLIER . . . . . 0 C--N 1.401 2.807 0 O-C-N 118.857 -2.402 . . . . 0.0 109.482 -163.576 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo . . . . . 0 CA--C 1.548 1.178 0 N-CA-C 115.642 1.362 . . . . 0.0 115.642 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 99.6 Cg_exo -50.31 -31.37 29.51 Favored 'Trans proline' 0 N--CA 1.533 3.819 0 C-N-CA 124.398 3.399 . . . . 0.0 115.495 177.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.3 13.9 pt20 -145.28 -2.61 0.77 Allowed 'General case' 0 C--O 1.257 1.48 0 CA-C-N 121.45 1.932 . . . . 0.0 109.376 -176.71 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -133.44 169.88 16.31 Favored 'General case' 0 N--CA 1.504 2.258 0 CA-C-N 122.259 2.3 . . . . 0.0 111.168 -170.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.5 p -80.96 177.88 8.77 Favored 'General case' 0 N--CA 1.504 2.271 0 CA-C-N 120.79 1.632 . . . . 0.0 107.679 154.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -67.63 -35.66 79.35 Favored 'General case' 0 C--O 1.263 1.81 0 CA-C-N 114.894 -1.048 . . . . 0.0 112.728 177.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . 0.253 . . -77.97 -32.56 51.45 Favored 'General case' 0 C--N 1.371 1.52 0 O-C-N 124.758 1.286 . . . . 0.0 111.831 179.628 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -64.43 -46.44 83.19 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 127.364 2.266 . . . . 0.0 109.66 169.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -68.83 -33.89 74.58 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 118.2 -2.812 . . . . 0.0 110.467 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -68.2 -34.08 75.6 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 117.457 -1.259 . . . . 0.0 113.858 176.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.4 -73.54 0.04 OUTLIER 'General case' 0 N--CA 1.512 2.633 0 C-N-CA 125.206 1.402 . . . . 0.0 111.011 164.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.3 mt -46.06 -41.08 3.93 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 O-C-N 127.65 3.094 . . . . 0.0 109.312 -168.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -81.16 -17.99 47.88 Favored 'General case' 0 C--O 1.274 2.351 0 O-C-N 125.013 1.446 . . . . 0.0 113.274 -174.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.406 ' O ' HD13 ' A' ' 16' ' ' ILE . 76.2 m-70 -156.95 -11.05 0.09 Allowed 'General case' 0 C--O 1.189 -2.106 0 N-CA-C 119.296 3.073 . . . . 0.0 119.296 -156.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.406 HD13 ' O ' ' A' ' 15' ' ' HIS . 40.4 mm -132.33 121.65 46.34 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.506 0 O-C-N 118.058 -2.901 . . . . 0.0 104.534 -179.075 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.3 m -158.21 129.83 6.71 Favored 'General case' 0 N--CA 1.412 -2.357 0 C-N-CA 129.305 3.042 . . . . 0.0 108.88 168.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.296 21.7 tp -73.68 -33.77 64.59 Favored 'General case' 0 N--CA 1.534 3.734 0 CA-C-N 114.103 -1.408 . . . . 0.0 112.211 -172.485 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . 0.255 9.6 p-10 -134.68 76.56 60.22 Favored Pre-proline 0 N--CA 1.498 1.956 0 N-CA-C 114.247 1.202 . . . . 0.0 114.247 167.198 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.85 164.25 35.08 Favored 'Trans proline' 0 N--CA 1.52 3.031 0 C-N-CA 117.516 -1.189 . . . . 0.0 113.603 -169.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.88 176.88 6.28 Favored 'Trans proline' 0 C--O 1.198 -1.492 0 O-C-N 125.269 2.194 . . . . 0.0 109.324 169.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -65.4 160.45 21.93 Favored 'General case' 0 C--N 1.361 1.068 0 O-C-N 116.51 -3.869 . . . . 0.0 112.364 172.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 93.9 m -58.63 -38.01 77.13 Favored 'General case' 0 C--O 1.208 -1.132 0 CA-C-N 113.213 -1.812 . . . . 0.0 115.86 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.6 p -34.74 -32.61 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 120.014 3.338 . . . . 0.0 120.014 160.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.7 mm -116.51 -36.21 1.99 Allowed 'Isoleucine or valine' 0 C--O 1.265 1.894 0 CA-C-O 114.832 -2.509 . . . . 0.0 113.11 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.81 -20.84 64.33 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-N 124.203 3.183 . . . . 0.0 113.678 175.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 47.0 mmm -69.57 -28.26 65.83 Favored 'General case' 0 N--CA 1.414 -2.232 0 C-N-CA 119.089 -1.045 . . . . 0.0 113.363 176.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -58.92 -37.02 75.73 Favored 'General case' 0 N--CA 1.512 2.645 0 C-N-CA 128.005 2.522 . . . . 0.0 111.674 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.401 . . -49.65 -27.74 5.03 Favored 'General case' 0 C--N 1.364 1.207 0 CA-C-N 121.217 1.826 . . . . 0.0 111.965 175.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . 0.265 0.1 OUTLIER -109.32 -61.87 2.36 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.377 0 O-C-N 120.444 -1.41 . . . . 0.0 109.022 170.339 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -65.62 -7.38 14.75 Favored 'General case' 0 N--CA 1.414 -2.256 0 CA-C-N 124.032 3.105 . . . . 0.0 117.322 -169.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -116.92 16.66 15.14 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 118.074 -2.892 . . . . 0.0 109.353 175.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -137.85 -36.33 0.62 Allowed 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 126.727 2.011 . . . . 0.0 111.954 -169.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -95.76 163.33 13.22 Favored 'General case' 0 N--CA 1.414 -2.273 0 C-N-CA 127.42 2.288 . . . . 0.0 111.962 169.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -68.07 -20.08 64.93 Favored 'General case' 0 CA--C 1.569 1.698 0 O-C-N 119.318 -2.114 . . . . 0.0 114.569 -158.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -145.34 163.19 35.31 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 128.642 2.777 . . . . 0.0 114.859 -178.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.6 m -63.04 121.17 12.93 Favored 'General case' 0 CA--C 1.577 2.016 0 O-C-N 119.419 -2.051 . . . . 0.0 116.322 168.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.1 tttt -70.8 139.59 51.0 Favored 'General case' 1 N--CA 1.562 5.169 0 C-N-CA 125.37 1.468 . . . . 0.0 109.418 159.201 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -72.22 -42.76 65.37 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-O 117.673 -1.156 . . . . 0.0 113.652 -177.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -148.61 158.82 44.39 Favored 'General case' 0 CA--C 1.561 1.385 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -168.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -169.76 144.92 2.94 Favored 'General case' 0 C--O 1.199 -1.599 0 O-C-N 120.078 -1.639 . . . . 0.0 110.912 -177.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.4 m -111.78 145.45 39.37 Favored 'General case' 0 C--O 1.201 -1.478 0 C-N-CA 126.408 1.883 . . . . 0.0 110.691 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -133.11 143.72 49.47 Favored 'General case' 0 N--CA 1.51 2.533 0 C-N-CA 127.13 2.172 . . . . 0.0 108.871 177.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.0 mt -107.97 139.97 41.8 Favored 'General case' 0 C--N 1.387 2.231 0 O-C-N 124.633 1.208 . . . . 0.0 109.827 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -90.06 86.39 6.56 Favored 'General case' 0 C--N 1.366 1.307 0 CA-C-O 123.337 1.541 . . . . 0.0 109.33 172.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.2 t -160.25 -167.72 2.0 Allowed 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 112.436 -2.166 . . . . 0.0 109.296 -170.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . 0.252 69.0 p -136.0 158.55 44.13 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.95 1.7 . . . . 0.0 108.8 -165.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -71.23 -55.88 7.19 Favored 'General case' 0 CA--C 1.579 2.077 0 C-N-CA 116.127 -2.229 . . . . 0.0 112.841 -165.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.22 -21.33 59.36 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.114 1.366 . . . . 0.0 112.282 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -65.55 -35.12 79.91 Favored 'General case' 0 CA--C 1.589 2.461 0 CA-C-O 115.56 -2.162 . . . . 0.0 114.284 161.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.0 t -84.82 -26.96 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.926 0 CA-C-O 114.756 -2.545 . . . . 0.0 107.406 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 97.4 t -59.29 -40.69 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.936 0 CA-C-N 120.784 1.629 . . . . 0.0 110.183 166.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -68.8 -9.72 52.66 Favored 'General case' 0 CA--C 1.619 3.622 1 O-C-N 115.432 -4.543 . . . . 0.0 110.202 -178.154 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.7 t -89.97 -31.68 5.33 Favored 'Isoleucine or valine' 0 C--N 1.394 2.541 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 173.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 78.4 m -61.19 -25.26 66.91 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-O 115.919 -1.991 . . . . 0.0 112.006 155.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -93.73 -16.51 45.13 Favored Glycine 0 C--O 1.273 2.585 0 O-C-N 128.406 3.566 . . . . 0.0 114.634 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -61.27 162.55 7.48 Favored 'General case' 0 CA--C 1.59 2.505 0 N-CA-C 102.648 -3.093 . . . . 0.0 102.648 160.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . 0.255 52.9 mt-30 -57.25 147.74 24.52 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 114.458 -2.687 . . . . 0.0 114.256 -177.031 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 m -64.85 152.0 44.05 Favored 'General case' 0 C--O 1.269 2.098 0 N-CA-C 117.118 2.266 . . . . 0.0 117.118 173.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.2 pt -151.04 178.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.258 0 C-N-CA 125.947 1.699 . . . . 0.0 107.426 169.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.4 ptt-85 -134.53 144.29 47.92 Favored 'General case' 0 C--N 1.361 1.077 1 O-C-N 115.489 -4.507 . . . . 0.0 111.156 172.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 57.5 m -113.5 170.53 5.24 Favored Pre-proline 0 CA--C 1.61 3.27 0 N-CA-C 116.693 2.108 . . . . 0.0 116.693 -162.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -83.53 -1.54 10.19 Favored 'Trans proline' 0 N--CA 1.529 3.606 0 C-N-CA 125.286 3.99 . . . . 0.0 115.535 -173.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -132.87 22.3 4.2 Favored 'General case' 0 C--N 1.286 -2.19 0 C-N-CA 124.022 0.929 . . . . 0.0 109.223 -175.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -129.46 8.21 5.42 Favored 'General case' 0 N--CA 1.513 2.691 0 C-N-CA 126.281 1.832 . . . . 0.0 115.342 -158.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.8 ptt-85 -43.56 -36.42 2.08 Favored 'General case' 0 C--O 1.217 -0.623 0 C-N-CA 127.407 2.283 . . . . 0.0 115.561 -177.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.0 p -51.8 -38.71 56.8 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 128.689 2.795 . . . . 0.0 111.913 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.362 2.3 pt? -128.5 -10.1 5.11 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 113.713 -3.042 . . . . 0.0 114.306 176.021 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.9 t30 57.17 25.87 11.48 Favored 'General case' 0 N--CA 1.434 -1.225 0 O-C-N 126.64 2.462 . . . . 0.0 115.021 167.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -152.31 136.59 16.65 Favored 'General case' 0 N--CA 1.438 -1.033 0 O-C-N 117.725 -3.109 . . . . 0.0 106.457 -175.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.1 p -155.66 178.44 10.25 Favored 'General case' 0 C--N 1.365 1.276 0 CA-C-O 117.152 -1.404 . . . . 0.0 110.655 -172.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -152.78 154.52 35.35 Favored 'General case' 0 N--CA 1.408 -2.535 0 CA-C-O 124.488 2.09 . . . . 0.0 109.383 175.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -124.88 153.68 42.24 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 123.613 1.673 . . . . 0.0 111.323 173.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 94.7 p -65.9 164.8 14.26 Favored 'General case' 0 N--CA 1.515 2.822 0 CA-C-N 114.196 -1.366 . . . . 0.0 113.973 -175.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 47.6 mtt-85 -101.47 -18.01 16.18 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 114.522 -1.217 . . . . 0.0 113.988 -172.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -138.68 168.76 19.1 Favored 'General case' 0 CA--C 1.605 3.06 0 O-C-N 127.252 2.845 . . . . 0.0 111.31 172.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.4 mtm180 -67.82 148.85 50.65 Favored 'General case' 0 C--O 1.2 -1.523 0 O-C-N 118.111 -2.868 . . . . 0.0 112.513 163.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.2 m -131.09 153.24 81.69 Favored Pre-proline 0 N--CA 1.512 2.627 0 O-C-N 118.61 -2.557 . . . . 0.0 112.981 173.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -70.4 161.57 45.53 Favored 'Trans proline' 0 CA--C 1.483 -2.039 0 CA-C-N 124.202 2.536 . . . . 0.0 112.795 169.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 pp -155.67 176.28 12.82 Favored 'General case' 0 CA--C 1.562 1.434 0 O-C-N 126.77 2.543 . . . . 0.0 115.839 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 44.2 tp -132.22 141.72 49.16 Favored 'General case' 0 CA--C 1.576 1.974 0 C-N-CA 128.317 2.647 . . . . 0.0 110.44 168.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -120.46 156.58 31.17 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 105.885 -1.894 . . . . 0.0 105.885 162.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 91.2 m -129.59 144.5 51.3 Favored 'General case' 0 CA--C 1.487 -1.442 0 CA-C-N 113.886 -1.506 . . . . 0.0 107.285 -170.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -129.25 118.46 22.38 Favored 'General case' 0 C--O 1.274 2.351 0 C-N-CA 127.274 2.23 . . . . 0.0 111.912 -169.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.6 tp -68.61 107.6 3.02 Favored 'General case' 0 C--O 1.189 -2.096 0 CA-C-N 121.076 1.762 . . . . 0.0 111.025 169.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.4 pt -80.99 9.74 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.581 2.162 0 CA-C-O 122.816 1.294 . . . . 0.0 111.266 -175.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -130.52 66.42 78.4 Favored Pre-proline 0 N--CA 1.533 3.725 0 O-C-N 120.094 -1.629 . . . . 0.0 111.542 175.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -59.38 -17.69 41.74 Favored 'Trans proline' 0 N--CA 1.509 2.441 0 C-N-CA 124.447 3.431 . . . . 0.0 118.821 -154.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -103.34 -15.27 23.76 Favored Glycine 0 N--CA 1.511 3.698 1 C-N-CA 131.561 4.41 . . . . 0.0 116.211 174.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.29 149.66 28.15 Favored 'General case' 1 N--CA 1.544 4.226 0 CA-C-N 121.304 2.552 . . . . 0.0 112.191 160.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -144.59 3.33 1.12 Allowed 'General case' 0 N--CA 1.425 -1.722 0 C-N-CA 127.336 2.254 . . . . 0.0 110.958 -172.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -127.07 129.07 47.29 Favored 'General case' 0 N--CA 1.504 2.251 0 C-N-CA 129.383 3.073 . . . . 0.0 111.493 175.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 29.9 pt -56.28 -14.92 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 172.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.0 m -55.97 -14.97 2.86 Favored 'General case' 0 CA--C 1.586 2.334 1 O-C-N 114.846 -4.909 . . . . 0.0 115.47 161.275 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -148.71 -4.45 0.44 Allowed 'General case' 0 CA--C 1.596 2.724 0 O-C-N 120.297 -1.502 . . . . 0.0 111.535 177.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 72.4 m -66.38 133.55 50.72 Favored 'General case' 0 CA--C 1.583 2.243 0 O-C-N 119.38 -2.075 . . . . 0.0 113.261 171.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -130.65 163.7 26.62 Favored 'General case' 0 CA--C 1.574 1.888 0 O-C-N 120.556 -1.34 . . . . 0.0 109.855 173.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -133.22 163.2 29.81 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.668 1.987 . . . . 0.0 112.766 -167.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -143.62 -175.87 4.74 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 116.991 -1.48 . . . . 0.0 111.184 159.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -116.59 140.34 49.5 Favored 'General case' 0 N--CA 1.52 3.067 0 C-N-CA 127.538 2.335 . . . . 0.0 108.644 -166.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -131.82 83.63 56.73 Favored Pre-proline 0 C--N 1.274 -2.714 0 CA-C-N 113.934 -1.484 . . . . 0.0 114.997 162.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -56.46 142.36 89.38 Favored 'Trans proline' 0 C--N 1.382 2.298 1 C-N-CA 125.73 4.287 . . . . 0.0 114.425 168.423 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -168.45 -164.24 23.81 Favored Glycine 0 C--O 1.203 -1.791 0 O-C-N 125.794 1.934 . . . . 0.0 111.989 -178.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -160.32 104.45 1.45 Allowed 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 116.7 -1.619 . . . . 0.0 108.939 -166.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 39.9 mtm-85 -141.13 169.88 16.78 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 116.304 1.965 . . . . 0.0 116.304 -170.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -73.28 166.08 23.84 Favored 'General case' 0 N--CA 1.538 3.957 0 CA-C-N 112.304 -2.226 . . . . 0.0 111.479 156.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.423 ' HB3' HG22 ' A' ' 132' ' ' THR . 21.1 p90 -148.01 171.95 15.0 Favored 'General case' 0 C--O 1.206 -1.196 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 175.246 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.8 t -138.1 119.5 17.37 Favored 'Isoleucine or valine' 0 C--O 1.305 3.987 1 C-N-CA 132.812 4.445 . . . . 0.0 109.797 -171.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.8 m -129.41 165.48 29.28 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.412 0 C-N-CA 126.761 2.024 . . . . 0.0 111.257 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -120.25 152.26 38.01 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 117.715 -3.116 . . . . 0.0 111.637 165.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 74.4 m -142.5 157.76 44.4 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 126.492 2.37 . . . . 0.0 111.554 -163.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -150.15 -179.77 7.45 Favored 'General case' 0 CA--C 1.585 2.309 0 CA-C-N 113.16 -1.836 . . . . 0.0 112.574 -170.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -67.06 148.3 52.08 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 123.417 0.687 . . . . 0.0 109.828 175.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -52.21 156.53 1.63 Allowed 'General case' 0 N--CA 1.495 1.819 0 CA-C-O 127.743 3.64 . . . . 0.0 109.25 178.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -62.14 144.16 94.63 Favored Pre-proline 0 CA--C 1.599 2.863 0 O-C-N 118.676 -2.515 . . . . 0.0 109.159 161.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -54.41 -19.09 16.32 Favored 'Trans proline' 0 N--CA 1.534 3.877 0 CA-C-O 111.32 -3.7 . . . . 0.0 116.517 172.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -139.49 -23.54 0.88 Allowed 'General case' 0 N--CA 1.516 2.84 1 CA-C-N 128.244 5.02 . . . . 0.0 115.31 172.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -75.35 146.38 40.95 Favored 'General case' 0 C--N 1.406 3.055 0 O-C-N 120.659 -1.275 . . . . 0.0 110.427 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.4 m 44.55 66.57 4.88 Favored Pre-proline 0 N--CA 1.506 2.351 0 N-CA-C 116.834 2.161 . . . . 0.0 116.834 170.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.26 -12.02 25.18 Favored 'Trans proline' 0 N--CA 1.5 1.881 0 N-CA-C 121.097 3.46 . . . . 0.0 121.097 -170.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -70.37 -21.86 62.83 Favored 'General case' 0 CA--C 1.574 1.879 0 CA-C-O 121.495 0.664 . . . . 0.0 111.448 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -110.33 95.59 22.86 Favored Pre-proline 0 C--O 1.262 1.763 0 O-C-N 117.65 -3.156 . . . . 0.0 111.345 -171.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -58.68 -24.51 71.19 Favored 'Trans proline' 0 N--CA 1.443 -1.478 0 C-N-CA 124.35 3.366 . . . . 0.0 116.905 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 35.0 m -128.2 144.76 36.78 Favored 'Isoleucine or valine' 0 C--N 1.374 1.661 0 O-C-N 126.227 2.204 . . . . 0.0 111.974 169.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 3.3 m -148.5 154.59 41.58 Favored Pre-proline 0 N--CA 1.519 3.007 0 C-N-CA 127.321 2.249 . . . . 0.0 111.041 -169.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -72.68 144.53 39.78 Favored 'Trans proline' 1 CA--C 1.429 -4.737 0 O-C-N 128.547 3.92 . . . . 0.0 110.705 178.006 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 19.1 m -131.18 -15.73 1.57 Allowed 'Isoleucine or valine' 0 CA--C 1.586 2.332 0 O-C-N 125.675 1.859 . . . . 0.0 112.288 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -153.79 155.49 35.94 Favored 'General case' 0 N--CA 1.505 2.277 2 O-C-N 116.231 -4.043 . . . . 0.0 119.762 -174.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 15.4 tp -138.43 142.0 39.52 Favored 'General case' 0 N--CA 1.506 2.332 0 N-CA-C 105.162 -2.162 . . . . 0.0 105.162 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -122.82 -34.12 3.26 Favored 'General case' 0 CA--C 1.576 1.954 0 N-CA-C 119.061 2.985 . . . . 0.0 119.061 -170.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.2 t -160.61 170.99 19.73 Favored 'General case' 0 CA--C 1.562 1.438 0 CA-C-N 113.323 -1.762 . . . . 0.0 111.754 -170.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.423 HG22 ' HB3' ' A' ' 107' ' ' TYR . 82.3 p -144.39 141.78 29.91 Favored 'General case' 0 N--CA 1.491 1.581 1 C-N-CA 133.386 4.674 . . . . 0.0 116.508 155.794 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.501 2.101 0 CA-C-N 122.406 2.366 . . . . 0.0 108.519 -153.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo . . . . . 0 N--CA 1.492 1.441 0 CA-C-O 117.545 -1.106 . . . . 0.0 109.795 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -55.37 -28.86 65.36 Favored 'Trans proline' 0 CA--C 1.551 1.342 1 C-N-CA 129.84 7.027 . . . . 0.0 120.926 -175.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.336 4.5 pt20 -145.51 2.91 0.98 Allowed 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 176.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -114.23 171.96 7.3 Favored 'General case' 0 CA--C 1.589 2.446 0 O-C-N 119.811 -1.805 . . . . 0.0 111.823 171.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.0 p -91.11 158.7 16.5 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 158.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -60.76 -44.08 97.19 Favored 'General case' 0 C--N 1.367 1.343 0 O-C-N 117.421 -3.299 . . . . 0.0 112.063 -176.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.49 -38.42 53.86 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 128.249 2.619 . . . . 0.0 115.898 168.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -68.08 -50.86 52.38 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 126.216 1.807 . . . . 0.0 110.73 175.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -68.98 -34.17 74.87 Favored 'General case' 0 C--N 1.371 1.521 0 CA-C-N 114.077 -1.419 . . . . 0.0 110.801 -173.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -49.98 -55.61 13.91 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.688 1.195 . . . . 0.0 112.215 166.154 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.28 -44.14 80.05 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 128.94 2.896 . . . . 0.0 111.452 -177.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.2 mt -62.75 -26.97 42.07 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.434 0 CA-C-O 122.825 1.298 . . . . 0.0 112.302 176.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -82.47 -29.85 30.34 Favored 'General case' 0 N--CA 1.486 1.363 1 CA-C-O 111.311 -4.185 . . . . 0.0 116.423 170.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -144.22 -6.69 0.73 Allowed 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 118.886 2.921 . . . . 0.0 118.886 -165.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 8.6 mm -135.73 107.35 7.1 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 C-N-CA 127.145 2.178 . . . . 0.0 109.755 -171.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 m -152.87 110.89 3.63 Favored 'General case' 0 CA--C 1.566 1.576 0 C-N-CA 129.099 2.96 . . . . 0.0 109.165 -174.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.3 tp -59.93 -36.63 77.44 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 123.358 2.799 . . . . 0.0 113.999 -175.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -144.42 48.74 0.91 Allowed Pre-proline 0 CA--C 1.574 1.884 0 C-N-CA 128.456 2.702 . . . . 0.0 108.59 -157.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -72.22 158.76 51.27 Favored 'Trans proline' 0 N--CA 1.435 -1.92 0 C-N-CA 122.36 2.04 . . . . 0.0 115.269 -167.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -68.67 176.34 6.03 Favored 'Trans proline' 0 CA--C 1.574 2.478 1 C-N-CA 125.59 4.193 . . . . 0.0 109.246 170.337 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -56.85 155.59 7.7 Favored 'General case' 1 N--CA 1.552 4.63 0 CA-C-N 114.117 -1.401 . . . . 0.0 113.291 162.241 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 62.3 m -54.03 -32.35 54.07 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 128.062 2.545 . . . . 0.0 116.179 169.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 45.3 p -37.99 -24.28 0.01 OUTLIER 'General case' 0 CA--C 1.588 2.435 0 CA-C-N 123.574 2.897 . . . . 0.0 114.435 160.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 37.5 mm -128.92 -35.46 0.69 Allowed 'Isoleucine or valine' 0 C--O 1.252 1.207 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 -166.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.16 -33.5 75.9 Favored 'General case' 0 CA--C 1.578 2.045 0 CA-C-O 115.702 -2.094 . . . . 0.0 110.832 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 58.6 mmm -73.44 -19.37 60.98 Favored 'General case' 0 C--O 1.257 1.466 0 O-C-N 128.012 3.32 . . . . 0.0 109.047 -177.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.33 -32.1 73.43 Favored 'General case' 0 C--N 1.404 2.941 0 CA-C-N 122.377 2.353 . . . . 0.0 111.057 170.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.84 -24.62 1.04 Allowed 'General case' 0 N--CA 1.443 -0.819 1 O-C-N 115.925 -4.234 . . . . 0.0 121.412 169.319 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -121.84 -38.34 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.422 -1.853 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 173.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -76.38 -0.42 22.66 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 116.66 -3.775 . . . . 0.0 119.652 -176.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -121.74 -4.49 9.19 Favored 'General case' 0 CA--C 1.598 2.821 0 N-CA-C 116.985 2.217 . . . . 0.0 116.985 166.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -77.18 -27.43 53.63 Favored 'General case' 0 C--O 1.211 -0.968 0 O-C-N 126.83 2.582 . . . . 0.0 112.859 164.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 61.5 mtt85 -135.7 165.51 25.4 Favored 'General case' 0 C--N 1.405 2.982 0 O-C-N 118.61 -2.557 . . . . 0.0 110.597 -167.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 -54.06 -29.74 45.29 Favored 'General case' 0 CA--C 1.487 -1.466 0 N-CA-C 120.985 3.698 . . . . 0.0 120.985 -171.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -137.57 157.17 47.09 Favored 'General case' 0 N--CA 1.518 2.963 1 C-N-CA 131.988 4.115 . . . . 0.0 113.291 -177.017 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.2 m -42.96 113.01 0.42 Allowed 'General case' 0 C--N 1.363 1.178 0 N-CA-C 116.447 2.018 . . . . 0.0 116.447 157.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -53.82 129.0 32.1 Favored 'General case' 0 C--O 1.181 -2.52 0 C-N-CA 128.467 2.707 . . . . 0.0 111.173 154.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -79.25 -31.79 43.59 Favored 'General case' 0 N--CA 1.41 -2.474 0 CA-C-N 121.838 2.108 . . . . 0.0 112.976 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -144.51 156.69 44.29 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 104.751 -2.315 . . . . 0.0 104.751 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -162.12 147.0 12.68 Favored 'General case' 0 CA--C 1.559 1.292 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 170.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.7 m -119.42 130.32 55.22 Favored 'General case' 0 C--N 1.372 1.587 0 C-N-CA 126.471 1.909 . . . . 0.0 107.845 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -118.96 133.46 55.81 Favored 'General case' 0 CA--C 1.569 1.702 0 C-N-CA 130.438 3.495 . . . . 0.0 114.865 174.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.0 mt -110.23 142.43 41.8 Favored 'General case' 0 CA--C 1.596 2.72 0 CA-C-N 123.137 2.699 . . . . 0.0 113.022 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -98.07 68.85 2.01 Favored 'General case' 0 N--CA 1.509 2.477 0 CA-C-O 122.107 0.956 . . . . 0.0 112.558 -174.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.3 t -142.68 158.68 43.4 Favored 'General case' 0 CA--C 1.568 1.661 0 C-N-CA 126.761 2.024 . . . . 0.0 112.806 171.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . 0.292 42.5 p -71.45 147.88 47.41 Favored 'General case' 0 C--O 1.167 -3.279 0 N-CA-C 117.964 2.579 . . . . 0.0 117.964 173.361 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -54.03 -41.16 67.72 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 118.156 -0.926 . . . . 0.0 111.845 -172.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.71 -20.97 57.99 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 127.418 2.287 . . . . 0.0 116.095 -176.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -71.94 -39.88 69.13 Favored 'General case' 0 C--O 1.257 1.483 0 CA-C-O 114.996 -2.431 . . . . 0.0 108.745 166.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.36 -30.38 49.63 Favored 'Isoleucine or valine' 0 C--O 1.17 -3.107 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 164.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.6 t -60.0 -38.77 78.06 Favored 'Isoleucine or valine' 0 C--O 1.271 2.217 0 C-N-CA 117.246 -1.781 . . . . 0.0 113.01 175.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -61.95 -26.43 68.19 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-O 116.461 -1.733 . . . . 0.0 115.204 170.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.8 t -66.74 -42.1 88.95 Favored 'Isoleucine or valine' 0 C--N 1.372 1.549 0 O-C-N 125.509 1.756 . . . . 0.0 110.606 167.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 84.1 m -62.56 -34.3 76.68 Favored 'General case' 0 C--N 1.371 1.525 0 C-N-CA 116.585 -2.046 . . . . 0.0 108.903 174.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.69 -20.94 53.89 Favored Glycine 1 CA--C 1.587 4.59 0 C-N-CA 124.702 1.144 . . . . 0.0 111.333 175.085 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -74.32 167.9 20.72 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 117.606 -3.291 . . . . 0.0 111.299 -177.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -45.67 141.44 2.87 Favored 'General case' 0 N--CA 1.529 3.514 1 O-C-N 116.011 -4.181 . . . . 0.0 116.465 -174.271 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.2 m -84.04 130.46 34.87 Favored 'General case' 0 CA--C 1.572 1.817 0 N-CA-C 114.228 1.195 . . . . 0.0 114.228 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 35.0 pt -137.04 -165.48 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.527 3.383 0 CA-C-O 123.135 1.445 . . . . 0.0 108.369 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.7 ptt-85 -128.68 176.79 7.52 Favored 'General case' 0 C--O 1.258 1.535 0 O-C-N 117.923 -2.986 . . . . 0.0 114.405 170.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.3 m -158.35 154.06 22.9 Favored Pre-proline 0 N--CA 1.444 -0.74 0 O-C-N 118.677 -2.515 . . . . 0.0 110.868 -153.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -70.11 -24.36 28.18 Favored 'Trans proline' 0 N--CA 1.439 -1.728 0 C-N-CA 122.648 2.232 . . . . 0.0 115.398 -166.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -130.47 44.05 3.02 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 117.742 -3.099 . . . . 0.0 111.547 -174.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -126.48 5.37 6.89 Favored 'General case' 0 C--O 1.267 2.022 0 O-C-N 118.405 -2.684 . . . . 0.0 113.978 -163.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -62.69 -16.11 55.72 Favored 'General case' 0 C--N 1.38 1.904 0 CA-C-O 116.645 -1.645 . . . . 0.0 110.741 -168.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.6 p -56.56 -6.09 0.27 Allowed 'General case' 0 N--CA 1.535 3.822 0 CA-C-N 123.902 3.047 . . . . 0.0 119.153 166.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.332 1.8 pt? -161.58 -16.33 0.04 OUTLIER 'General case' 0 CA--C 1.47 -2.134 0 C-N-CA 127.387 2.275 . . . . 0.0 116.457 176.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.265 59.4 t30 55.8 33.15 20.93 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 121.382 1.901 . . . . 0.0 113.116 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -149.91 130.84 14.28 Favored 'General case' 0 CA--C 1.606 3.114 0 CA-C-O 122.365 1.079 . . . . 0.0 113.173 175.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 9.2 p -138.52 178.87 6.82 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 128.845 2.858 . . . . 0.0 106.795 168.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -139.35 160.11 40.59 Favored 'General case' 0 CA--C 1.589 2.467 1 C-N-CA 134.246 5.018 . . . . 0.0 109.73 175.002 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -135.87 144.5 45.63 Favored 'General case' 0 C--O 1.244 0.764 0 O-C-N 120.802 -1.186 . . . . 0.0 111.976 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.8 p -57.28 144.83 34.1 Favored 'General case' 0 CA--C 1.578 2.031 0 C-N-CA 127.622 2.369 . . . . 0.0 114.021 -167.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 80.2 mtt-85 -73.9 -15.82 61.13 Favored 'General case' 0 N--CA 1.51 2.57 0 C-N-CA 124.882 1.273 . . . . 0.0 114.003 -175.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -159.61 167.37 28.63 Favored 'General case' 0 CA--C 1.556 1.178 1 C-N-CA 132.189 4.196 . . . . 0.0 112.13 -175.598 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -81.15 152.99 27.5 Favored 'General case' 0 CA--C 1.487 -1.447 0 O-C-N 125.369 1.668 . . . . 0.0 109.902 177.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -121.16 153.41 58.01 Favored Pre-proline 0 CA--C 1.469 -2.16 0 CA-C-O 116.843 -1.551 . . . . 0.0 106.926 177.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -64.0 153.11 77.82 Favored 'Trans proline' 0 N--CA 1.42 -2.826 0 C-N-CA 121.369 1.379 . . . . 0.0 110.084 156.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 pp -150.47 179.51 8.09 Favored 'General case' 0 CA--C 1.571 1.782 0 C-N-CA 129.498 3.119 . . . . 0.0 116.131 175.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.2 tp -140.66 102.59 4.34 Favored 'General case' 0 C--N 1.308 -1.197 0 C-N-CA 125.913 1.685 . . . . 0.0 107.247 177.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -76.83 138.23 39.7 Favored 'General case' 0 CA--C 1.554 1.096 0 CA-C-O 125.543 2.592 . . . . 0.0 115.281 152.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 89.4 m -123.51 138.15 54.63 Favored 'General case' 0 C--O 1.277 2.517 0 CA-C-N 112.544 -2.116 . . . . 0.0 108.961 -176.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -132.3 128.06 36.94 Favored 'General case' 0 CA--C 1.575 1.924 0 C-N-CA 129.877 3.271 . . . . 0.0 114.813 -166.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.0 tp -80.28 119.48 23.08 Favored 'General case' 0 C--N 1.367 1.354 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 172.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.458 5.4 pt -64.24 -6.45 2.75 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.916 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 -164.672 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -144.8 106.46 4.59 Favored Pre-proline 0 CA--C 1.569 1.697 0 C-N-CA 128.142 2.577 . . . . 0.0 107.806 -178.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -42.74 -35.35 4.13 Favored 'Trans proline' 0 CA--C 1.578 2.71 0 N-CA-C 116.102 1.539 . . . . 0.0 116.102 164.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -76.0 -10.54 85.15 Favored Glycine 0 CA--C 1.563 3.048 0 N-CA-C 118.303 2.081 . . . . 0.0 118.303 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.01 144.35 40.93 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 117.813 2.523 . . . . 0.0 117.813 173.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -144.23 -32.63 0.42 Allowed 'General case' 0 N--CA 1.531 3.588 0 C-N-CA 117.159 -1.816 . . . . 0.0 110.859 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -92.09 130.21 37.87 Favored 'General case' 0 C--O 1.251 1.16 0 C-N-CA 127.668 2.387 . . . . 0.0 108.632 177.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.267 2.3 pp -56.57 -23.75 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 CA-C-O 116.08 -1.915 . . . . 0.0 114.92 171.188 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . 0.267 16.7 m -57.36 -8.71 0.83 Allowed 'General case' 0 N--CA 1.51 2.529 0 CA-C-O 117.067 -1.444 . . . . 0.0 114.529 167.379 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -134.53 -36.14 0.88 Allowed 'General case' 0 CA--C 1.578 2.04 0 N-CA-C 117.302 2.334 . . . . 0.0 117.302 -170.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 74.1 m -53.1 132.04 37.53 Favored 'General case' 0 C--N 1.289 -2.058 0 C-N-CA 130.528 3.531 . . . . 0.0 117.387 175.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -135.29 151.29 50.41 Favored 'General case' 0 N--CA 1.525 3.3 0 C-N-CA 128.7 2.8 . . . . 0.0 115.355 -178.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -142.34 148.19 37.53 Favored 'General case' 0 C--N 1.364 1.21 0 CA-C-N 122.977 2.626 . . . . 0.0 108.499 -150.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -146.8 157.57 43.7 Favored 'General case' 0 C--O 1.255 1.365 0 CA-C-O 124.335 2.017 . . . . 0.0 113.008 -177.305 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -91.18 138.13 31.83 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 129.925 3.29 . . . . 0.0 117.373 -172.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -142.08 72.08 22.94 Favored Pre-proline 0 N--CA 1.5 2.071 0 C-N-CA 124.76 1.224 . . . . 0.0 112.6 172.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -64.68 165.24 21.32 Favored 'Trans proline' 0 C--O 1.293 3.253 0 C-N-CA 124.511 3.474 . . . . 0.0 108.767 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -179.67 -168.26 38.22 Favored Glycine 0 C--O 1.278 2.882 0 O-C-N 118.96 -2.338 . . . . 0.0 112.342 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -153.92 129.48 9.96 Favored 'General case' 0 N--CA 1.437 -1.076 0 C-N-CA 126.346 1.859 . . . . 0.0 112.039 175.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 90.0 mtm-85 -166.43 155.21 10.84 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 130.108 3.363 . . . . 0.0 114.522 -162.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -66.86 176.01 2.22 Favored 'General case' 1 N--CA 1.541 4.088 0 CA-C-O 124.844 2.259 . . . . 0.0 111.191 161.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.443 ' HB3' HG22 ' A' ' 132' ' ' THR . 14.9 p90 -156.67 162.91 39.81 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 118.091 -2.881 . . . . 0.0 112.552 175.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.2 t -132.14 117.93 34.77 Favored 'Isoleucine or valine' 0 C--N 1.368 1.381 0 C-N-CA 130.094 3.357 . . . . 0.0 109.334 -161.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 15.6 m -133.35 152.6 35.73 Favored 'Isoleucine or valine' 0 C--O 1.275 2.441 0 C-N-CA 127.91 2.484 . . . . 0.0 113.59 -172.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -103.58 167.07 10.03 Favored 'General case' 0 N--CA 1.434 -1.257 0 C-N-CA 126.811 2.044 . . . . 0.0 109.76 168.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 91.9 m -160.97 149.34 16.08 Favored 'General case' 0 N--CA 1.506 2.344 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.541 -159.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -155.75 169.91 23.27 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 104.809 -2.293 . . . . 0.0 104.809 -158.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -56.42 139.0 50.32 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-N 110.988 -2.824 . . . . 0.0 116.254 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -42.64 138.94 1.72 Allowed 'General case' 0 N--CA 1.504 2.239 0 C-N-CA 126.414 1.886 . . . . 0.0 111.689 167.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -49.72 147.14 6.57 Favored Pre-proline 0 C--N 1.284 -2.276 0 C-N-CA 128.418 2.687 . . . . 0.0 111.376 163.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -60.13 -19.75 58.06 Favored 'Trans proline' 0 N--CA 1.444 -1.41 0 C-N-CA 122.502 2.135 . . . . 0.0 116.798 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -135.34 -34.53 0.85 Allowed 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 113.082 -3.342 . . . . 0.0 109.881 178.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -75.94 141.16 42.34 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 123.395 2.816 . . . . 0.0 115.462 -170.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.0 m 37.36 58.68 4.18 Favored Pre-proline 0 C--O 1.275 2.421 0 N-CA-C 118.029 2.604 . . . . 0.0 118.029 -178.203 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -51.21 -29.63 29.96 Favored 'Trans proline' 0 N--CA 1.505 2.187 1 C-N-CA 126.431 4.754 . . . . 0.0 114.926 176.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -45.73 -26.78 0.69 Allowed 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 128.237 2.615 . . . . 0.0 115.831 175.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . 0.324 22.5 m-85 -113.02 89.13 13.18 Favored Pre-proline 0 CA--C 1.591 2.535 1 C-N-CA 131.973 4.109 . . . . 0.0 120.092 -170.5 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -48.36 -34.42 25.17 Favored 'Trans proline' 0 N--CA 1.509 2.408 0 CA-C-N 121.041 1.408 . . . . 0.0 114.274 -175.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 3.6 m -127.87 149.56 32.91 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.442 0 CA-C-O 114.767 -2.539 . . . . 0.0 112.554 177.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 27.5 m -126.45 143.23 45.43 Favored Pre-proline 0 N--CA 1.485 1.319 0 CA-C-N 122.672 2.487 . . . . 0.0 115.366 174.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -73.88 129.86 13.87 Favored 'Trans proline' 0 C--O 1.267 1.939 0 C-N-CA 124.314 3.343 . . . . 0.0 110.421 175.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 15.7 m -127.75 -16.91 2.63 Favored 'Isoleucine or valine' 0 C--O 1.177 -2.761 1 C-N-CA 133.651 4.78 . . . . 0.0 116.041 -171.325 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -146.92 157.08 43.54 Favored 'General case' 0 CA--C 1.592 2.593 0 CA-C-N 120.692 1.587 . . . . 0.0 111.759 173.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . 0.267 33.1 tp -140.21 129.32 23.61 Favored 'General case' 0 CA--C 1.576 1.943 0 C-N-CA 130.183 3.393 . . . . 0.0 110.051 -177.596 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -108.88 -39.65 5.26 Favored 'General case' 0 C--N 1.283 -2.315 0 CA-C-O 115.868 -2.015 . . . . 0.0 116.023 -176.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.6 t -153.27 166.96 30.92 Favored 'General case' 0 C--N 1.394 2.512 0 CA-C-O 128.431 3.967 . . . . 0.0 115.57 -178.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.443 HG22 ' HB3' ' A' ' 107' ' ' TYR . 44.0 p -126.41 140.15 52.71 Favored 'General case' 0 C--O 1.261 1.677 0 O-C-N 117.918 -2.989 . . . . 0.0 108.97 167.156 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.25 0.2 OUTLIER . . . . . 0 CA--C 1.558 1.288 0 O-C-N 127.332 2.895 . . . . 0.0 115.642 -172.069 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo . . . . . 0 CA--C 1.581 2.85 0 CA-C-O 114.336 -2.444 . . . . 0.0 109.219 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -41.72 -28.67 0.72 Allowed 'Trans proline' 0 C--N 1.303 -1.863 0 C-N-CA 124.101 3.201 . . . . 0.0 118.83 -170.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -158.52 15.86 0.2 Allowed 'General case' 0 CA--C 1.547 0.839 1 N-CA-C 122.151 4.13 . . . . 0.0 122.151 -166.057 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -143.26 171.67 13.79 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 122.377 1.084 . . . . 0.0 108.746 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.446 HG23 ' NE2' ' A' ' 9' ' ' GLN . 2.8 p -62.07 157.12 19.69 Favored 'General case' 1 N--CA 1.571 5.6 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 158.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -66.28 -29.53 69.77 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 123.493 2.861 . . . . 0.0 113.164 177.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.07 -30.54 55.52 Favored 'General case' 0 C--N 1.383 2.033 0 C-N-CA 126.857 2.063 . . . . 0.0 110.574 175.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.446 ' NE2' HG23 ' A' ' 6' ' ' THR . 62.2 mt-30 -68.38 -52.05 37.34 Favored 'General case' 0 N--CA 1.518 2.967 0 O-C-N 118.815 -2.428 . . . . 0.0 105.532 177.047 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 6.2 t-105 -49.65 -50.21 44.11 Favored 'General case' 0 CA--C 1.596 2.737 0 N-CA-C 116.329 1.974 . . . . 0.0 116.329 173.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -49.12 -49.17 43.27 Favored 'General case' 0 C--N 1.282 -2.328 0 CA-C-O 115.023 -2.417 . . . . 0.0 112.967 172.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.13 -60.75 2.89 Favored 'General case' 0 C--N 1.391 2.405 1 C-N-CA 131.977 4.111 . . . . 0.0 110.713 173.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.8 mt -46.72 -32.54 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.513 2.691 0 CA-C-O 123.412 1.577 . . . . 0.0 115.185 -178.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -96.76 -22.76 16.77 Favored 'General case' 0 C--O 1.258 1.519 0 CA-C-O 115.04 -2.409 . . . . 0.0 111.82 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -144.48 -23.29 0.53 Allowed 'General case' 0 C--O 1.268 2.072 0 N-CA-C 118.121 2.637 . . . . 0.0 118.121 -164.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.1 mm -105.67 117.44 51.39 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.155 1 CA-C-N 126.096 4.044 . . . . 0.0 110.442 173.427 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.4 m -142.45 94.79 2.69 Favored 'General case' 0 C--N 1.343 0.284 0 N-CA-C 105.258 -2.127 . . . . 0.0 105.258 -171.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.4 tp -55.38 -34.68 64.54 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 124.75 2.214 . . . . 0.0 111.875 -176.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -153.58 79.94 5.26 Favored Pre-proline 0 CA--C 1.591 2.521 0 O-C-N 117.686 -3.134 . . . . 0.0 112.645 -168.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -68.02 161.74 42.93 Favored 'Trans proline' 0 N--CA 1.418 -2.96 0 O-C-N 125.277 2.198 . . . . 0.0 116.66 -158.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -86.0 169.3 8.96 Favored 'Trans proline' 0 N--CA 1.432 -2.101 1 C-N-CA 125.592 4.195 . . . . 0.0 111.155 160.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -55.94 146.06 23.29 Favored 'General case' 0 CA--C 1.581 2.157 0 O-C-N 118.751 -2.468 . . . . 0.0 112.823 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 6.8 m -54.62 -33.69 60.9 Favored 'General case' 0 CA--C 1.605 3.061 0 CA-C-N 121.315 1.871 . . . . 0.0 114.105 -176.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.1 p -51.08 -17.0 0.54 Allowed 'General case' 0 N--CA 1.537 3.923 1 C-N-CA 132.248 4.219 . . . . 0.0 114.844 166.371 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.9 mm -118.12 -40.59 2.33 Favored 'Isoleucine or valine' 0 C--O 1.248 1.021 0 O-C-N 127.624 3.077 . . . . 0.0 112.02 170.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.18 -45.7 75.78 Favored 'General case' 0 N--CA 1.505 2.278 0 CA-C-O 117.236 -1.364 . . . . 0.0 113.015 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 66.7 mmm -62.24 -25.25 67.72 Favored 'General case' 0 N--CA 1.442 -0.873 0 O-C-N 126.674 2.483 . . . . 0.0 115.99 176.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -66.35 -21.81 66.25 Favored 'General case' 0 N--CA 1.491 1.616 1 O-C-N 113.919 -5.488 . . . . 0.0 112.482 -171.384 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.51 -14.14 48.01 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 117.414 2.376 . . . . 0.0 117.414 170.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . 0.304 39.5 pt -126.26 -48.72 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 CA-C-N 113.929 -1.487 . . . . 0.0 114.782 169.176 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 -77.98 1.61 20.24 Favored 'General case' 0 N--CA 1.507 2.412 0 CA-C-O 114.196 -2.811 . . . . 0.0 111.177 -168.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -129.85 8.81 5.31 Favored 'General case' 0 CA--C 1.563 1.46 0 CA-C-O 124.943 2.306 . . . . 0.0 111.47 176.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.295 81.9 t80 -136.45 20.68 3.14 Favored 'General case' 0 N--CA 1.505 2.306 0 C-N-CA 126.621 1.968 . . . . 0.0 113.447 -173.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -158.42 148.91 20.18 Favored 'General case' 0 CA--C 1.493 -1.247 1 C-N-CA 132.446 4.298 . . . . 0.0 108.413 -170.189 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . 0.3 0.6 OUTLIER -61.44 -15.41 36.99 Favored 'General case' 0 CA--C 1.557 1.249 0 N-CA-C 118.025 2.602 . . . . 0.0 118.025 -172.234 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -139.71 160.25 40.32 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 125.146 2.403 . . . . 0.0 111.349 -177.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 33.6 m -66.59 125.03 24.49 Favored 'General case' 0 N--CA 1.515 2.799 0 O-C-N 118.552 -2.592 . . . . 0.0 111.204 158.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -84.59 149.24 26.0 Favored 'General case' 0 C--N 1.366 1.288 0 O-C-N 126.441 2.338 . . . . 0.0 108.506 168.12 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -78.03 -68.51 0.63 Allowed 'General case' 0 C--N 1.364 1.206 1 C-N-CA 131.792 4.037 . . . . 0.0 106.54 -163.286 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -115.47 148.83 38.98 Favored 'General case' 0 N--CA 1.519 2.992 0 C-N-CA 126.143 1.777 . . . . 0.0 114.057 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -156.42 165.88 35.05 Favored 'General case' 0 C--O 1.246 0.876 0 O-C-N 117.951 -2.968 . . . . 0.0 108.346 166.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 55.1 m -134.62 144.44 47.88 Favored 'General case' 0 CA--C 1.574 1.887 1 C-N-CA 132.635 4.374 . . . . 0.0 110.27 -175.687 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -145.49 134.97 23.19 Favored 'General case' 0 CA--C 1.61 3.279 0 C-N-CA 128.454 2.701 . . . . 0.0 104.401 -177.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 76.1 mt -119.23 133.74 55.59 Favored 'General case' 0 N--CA 1.532 3.638 0 CA-C-N 113.223 -1.808 . . . . 0.0 112.189 -162.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -89.56 85.58 6.53 Favored 'General case' 0 N--CA 1.508 2.462 0 N-CA-C 116.818 2.155 . . . . 0.0 116.818 -172.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.9 t -160.8 172.13 17.57 Favored 'General case' 0 N--CA 1.513 2.678 0 N-CA-C 104.837 -2.283 . . . . 0.0 104.837 -165.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.2 p -108.13 171.4 7.43 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 118.477 -2.639 . . . . 0.0 113.47 175.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -74.5 -39.07 62.66 Favored 'General case' 0 C--O 1.187 -2.23 0 CA-C-N 120.493 1.497 . . . . 0.0 109.79 -173.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.75 -7.85 1.13 Allowed 'General case' 0 C--N 1.357 0.933 0 N-CA-C 117.708 2.484 . . . . 0.0 117.708 169.35 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -95.69 -51.1 4.65 Favored 'General case' 0 C--O 1.201 -1.466 0 C-N-CA 128.549 2.739 . . . . 0.0 110.586 177.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . 0.38 1.4 t -58.66 -25.74 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.063 0 CA-C-O 124.075 1.893 . . . . 0.0 112.064 171.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 50.6 t -69.72 -47.97 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 O-C-N 117.672 -3.143 . . . . 0.0 112.517 175.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -63.12 -11.8 22.84 Favored 'General case' 0 CA--C 1.491 -1.311 0 CA-C-O 116.103 -1.903 . . . . 0.0 108.865 174.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 t -86.01 -29.88 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-N 121.848 2.113 . . . . 0.0 113.83 169.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 88.7 m -68.11 -29.53 68.48 Favored 'General case' 0 C--N 1.371 1.503 0 C-N-CA 114.882 -2.727 . . . . 0.0 109.93 164.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -76.71 -5.2 83.19 Favored Glycine 0 C--N 1.359 1.858 0 C-N-CA 128.472 2.939 . . . . 0.0 114.148 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -76.85 172.51 13.01 Favored 'General case' 0 N--CA 1.421 -1.879 0 C-N-CA 130.536 3.534 . . . . 0.0 114.546 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -55.5 146.15 20.97 Favored 'General case' 0 CA--C 1.566 1.563 0 CA-C-N 120.413 1.46 . . . . 0.0 111.15 175.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.8 m -92.09 126.4 37.15 Favored 'General case' 0 N--CA 1.517 2.901 0 O-C-N 126.578 2.424 . . . . 0.0 110.49 -174.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.429 HG13 ' SG ' ' A' ' 71' ' ' CYS . 29.7 pt -117.97 -174.26 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.252 1.186 0 CA-C-N 119.554 1.07 . . . . 0.0 110.976 169.613 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 -122.98 146.55 47.52 Favored 'General case' 0 N--CA 1.509 2.509 0 C-N-CA 127.83 2.452 . . . . 0.0 111.173 166.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.492 ' HB3' ' HD2' ' A' ' 63' ' ' PRO . 72.4 m -129.72 177.98 1.92 Allowed Pre-proline 0 CA--C 1.567 1.616 0 CA-C-N 110.382 -3.099 . . . . 0.0 110.012 -169.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.492 ' HD2' ' HB3' ' A' ' 62' ' ' CYS 0.269 54.0 Cg_endo -85.25 -7.87 8.91 Favored 'Trans proline' 0 CA--C 1.488 -1.814 0 C-N-CA 123.657 2.905 . . . . 0.0 116.934 -164.391 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . 0.339 2.2 m80 -140.21 31.38 1.95 Allowed 'General case' 0 CA--C 1.496 -1.108 0 C-N-CA 129.587 3.155 . . . . 0.0 113.032 -171.502 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -127.47 1.49 6.26 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 126.495 2.372 . . . . 0.0 112.26 -158.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -59.98 -32.33 70.74 Favored 'General case' 0 N--CA 1.519 3.011 0 CA-C-O 126.521 3.058 . . . . 0.0 114.46 -177.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . 0.374 63.8 p -56.0 -11.38 1.05 Allowed 'General case' 0 N--CA 1.514 2.738 0 O-C-N 118.047 -2.908 . . . . 0.0 113.023 169.386 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -148.33 -5.75 0.43 Allowed 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 122.527 2.421 . . . . 0.0 116.629 168.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.2 t30 55.62 28.05 11.41 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 116.899 2.185 . . . . 0.0 116.899 -176.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -153.06 115.74 4.5 Favored 'General case' 0 CA--C 1.591 2.549 0 O-C-N 117.458 -3.276 . . . . 0.0 105.568 -165.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.429 ' SG ' HG13 ' A' ' 60' ' ' ILE . 6.8 p -137.91 169.93 16.93 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 110.808 -2.905 . . . . 0.0 112.913 169.259 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -139.58 156.19 47.02 Favored 'General case' 0 C--N 1.373 1.592 0 O-C-N 120.848 -1.157 . . . . 0.0 108.195 -176.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -118.61 172.1 7.73 Favored 'General case' 0 C--O 1.272 2.237 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 172.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 85.2 p -65.21 162.17 17.76 Favored 'General case' 0 C--O 1.244 0.811 0 C-N-CA 128.839 2.856 . . . . 0.0 111.288 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -97.93 -9.13 26.75 Favored 'General case' 0 C--O 1.169 -3.162 0 C-N-CA 126.881 2.072 . . . . 0.0 107.74 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -163.87 176.49 9.42 Favored 'General case' 0 N--CA 1.439 -0.995 0 O-C-N 116.571 -3.831 . . . . 0.0 111.201 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 -82.76 163.18 21.43 Favored 'General case' 0 C--N 1.389 2.302 0 CA-C-O 121.482 0.658 . . . . 0.0 109.366 166.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.4 m -141.42 151.86 62.17 Favored Pre-proline 0 C--O 1.197 -1.702 0 C-N-CA 126.324 1.849 . . . . 0.0 109.946 168.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.407 ' HA ' ' O ' ' A' ' 103' ' ' GLY . 48.5 Cg_endo -64.98 155.08 70.15 Favored 'Trans proline' 0 CA--C 1.56 1.785 0 C-N-CA 121.714 1.609 . . . . 0.0 112.457 160.099 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.6 pp -155.41 177.47 11.32 Favored 'General case' 0 N--CA 1.421 -1.896 0 O-C-N 118.576 -2.578 . . . . 0.0 114.24 -172.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.2 tp -128.77 109.82 11.63 Favored 'General case' 0 CA--C 1.59 2.491 0 CA-C-N 120.603 1.547 . . . . 0.0 108.215 176.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -84.02 161.05 20.86 Favored 'General case' 0 N--CA 1.424 -1.727 0 CA-C-O 116.464 -1.732 . . . . 0.0 112.687 161.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 68.7 m -153.16 149.55 28.14 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 126.502 2.377 . . . . 0.0 115.467 -174.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -150.52 109.57 3.91 Favored 'General case' 0 C--O 1.257 1.452 0 O-C-N 126.145 2.153 . . . . 0.0 112.25 -145.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.1 tp -68.8 96.15 0.73 Allowed 'General case' 0 C--O 1.199 -1.593 0 O-C-N 126.176 2.172 . . . . 0.0 111.138 169.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.306 0.8 OUTLIER -57.25 -9.4 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.531 3.586 0 N-CA-C 117.126 2.269 . . . . 0.0 117.126 -174.273 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -138.75 86.13 16.08 Favored Pre-proline 0 CA--C 1.563 1.475 0 O-C-N 116.442 -3.911 . . . . 0.0 110.105 169.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -48.66 -25.78 8.46 Favored 'Trans proline' 0 CA--C 1.58 2.797 1 C-N-CA 126.849 5.032 . . . . 0.0 116.001 -168.322 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -70.17 -19.81 76.02 Favored Glycine 0 C--N 1.356 1.665 0 C-N-CA 127.036 2.255 . . . . 0.0 113.336 178.12 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.3 147.09 46.71 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 119.414 -2.227 . . . . 0.0 115.774 168.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -148.83 -17.66 0.31 Allowed 'General case' 0 C--N 1.384 2.086 0 C-N-CA 128.191 2.596 . . . . 0.0 114.62 -170.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -103.27 141.84 35.22 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 104.853 -2.277 . . . . 0.0 104.853 176.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 19.8 pt -65.02 -5.39 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.604 3.048 0 N-CA-C 117.365 2.357 . . . . 0.0 117.365 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.0 m -83.83 0.85 45.81 Favored 'General case' 0 C--O 1.265 1.905 0 CA-C-O 123.539 1.638 . . . . 0.0 110.163 176.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -152.45 -9.67 0.19 Allowed 'General case' 0 N--CA 1.516 2.854 0 O-C-N 119.436 -2.04 . . . . 0.0 113.861 -170.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 3.4 m -71.88 149.7 44.93 Favored 'General case' 0 N--CA 1.498 1.956 0 CA-C-N 120.117 1.326 . . . . 0.0 109.184 162.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -164.32 145.94 8.56 Favored 'General case' 0 CA--C 1.563 1.459 0 C-N-CA 130.227 3.411 . . . . 0.0 110.066 -169.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -136.72 169.48 17.66 Favored 'General case' 0 C--N 1.315 -0.919 0 O-C-N 128.673 3.733 . . . . 0.0 114.423 -165.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.57 134.06 6.82 Favored 'General case' 0 CA--C 1.486 -1.498 0 CA-C-N 113.614 -1.63 . . . . 0.0 111.878 -169.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -77.68 128.39 34.01 Favored 'General case' 0 C--N 1.271 -2.805 0 O-C-N 116.552 -3.842 . . . . 0.0 111.599 -164.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . 0.331 2.7 mpt_? -119.87 67.71 11.63 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 124.275 0.985 . . . . 0.0 110.45 174.433 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -54.96 139.91 79.37 Favored 'Trans proline' 0 N--CA 1.514 2.68 0 O-C-N 116.507 -2.417 . . . . 0.0 113.667 173.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 79' ' ' PRO . . . -141.62 -168.96 11.76 Favored Glycine 0 CA--C 1.57 3.525 0 N-CA-C 115.202 0.841 . . . . 0.0 115.202 173.306 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 45.7 ttt180 -148.53 113.11 5.34 Favored 'General case' 0 CA--C 1.499 -1.012 0 C-N-CA 130.639 3.576 . . . . 0.0 109.661 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 90.7 mtm-85 -158.55 166.36 32.3 Favored 'General case' 0 C--O 1.267 1.977 0 O-C-N 124.703 1.252 . . . . 0.0 107.666 -172.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -81.46 167.78 19.01 Favored 'General case' 0 C--O 1.163 -3.498 0 CA-C-O 116.734 -1.603 . . . . 0.0 110.837 163.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -137.31 159.0 43.19 Favored 'General case' 0 CA--C 1.567 1.634 0 C-N-CA 128.761 2.824 . . . . 0.0 114.672 -176.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 42.0 t -141.76 119.42 8.29 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.375 0 O-C-N 128.271 3.482 . . . . 0.0 109.591 -170.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.0 m -148.32 -178.37 0.56 Allowed 'Isoleucine or valine' 0 C--O 1.171 -3.036 0 O-C-N 117.136 -3.477 . . . . 0.0 109.576 -154.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -155.1 153.71 31.28 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 127.906 2.482 . . . . 0.0 113.4 -172.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 99.1 m -133.48 165.56 24.6 Favored 'General case' 0 N--CA 1.405 -2.722 0 C-N-CA 126.21 1.804 . . . . 0.0 113.491 -157.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -146.25 168.51 20.88 Favored 'General case' 0 C--O 1.281 2.731 0 C-N-CA 127.787 2.435 . . . . 0.0 113.077 175.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -66.55 159.1 28.11 Favored 'General case' 0 C--O 1.208 -1.088 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -48.25 153.21 0.74 Allowed 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 126.558 3.075 . . . . 0.0 116.114 172.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.461 ' HA ' ' HD3' ' A' ' 116' ' ' PRO . 12.8 t70 -72.43 142.66 84.47 Favored Pre-proline 0 CA--C 1.554 1.109 0 CA-C-N 113.257 -1.792 . . . . 0.0 112.945 170.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 115' ' ' ASP . 70.1 Cg_exo -61.44 -9.57 13.59 Favored 'Trans proline' 0 N--CA 1.506 2.221 1 C-N-CA 125.37 4.047 . . . . 0.0 115.144 -175.319 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -143.32 -26.96 0.57 Allowed 'General case' 0 C--N 1.399 2.742 0 C-N-CA 126.993 2.117 . . . . 0.0 114.438 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -103.25 146.84 27.83 Favored 'General case' 0 N--CA 1.525 3.314 0 CA-C-N 120.389 1.45 . . . . 0.0 111.501 -163.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.8 m 50.62 57.88 17.29 Favored Pre-proline 0 CA--C 1.549 0.918 0 N-CA-C 119.023 2.971 . . . . 0.0 119.023 -178.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -53.51 -17.54 9.65 Favored 'Trans proline' 0 C--N 1.29 -2.521 0 C-N-CA 124.224 3.283 . . . . 0.0 118.191 176.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -47.25 -23.91 0.63 Allowed 'General case' 0 N--CA 1.423 -1.803 0 C-N-CA 124.896 1.278 . . . . 0.0 113.343 171.109 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . 0.312 62.7 m-85 -138.9 139.53 24.07 Favored Pre-proline 0 CA--C 1.572 1.798 0 CA-C-N 121.405 1.911 . . . . 0.0 112.18 -159.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -80.26 -28.37 3.05 Favored 'Trans proline' 0 CA--C 1.565 2.034 0 C-N-CA 124.273 3.315 . . . . 0.0 113.273 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.6 m -132.19 159.17 43.29 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.075 0 C-N-CA 126.917 2.087 . . . . 0.0 108.657 -174.226 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 28.2 m -143.26 142.73 22.13 Favored Pre-proline 0 CA--C 1.564 1.513 0 O-C-N 126.364 2.29 . . . . 0.0 105.884 -173.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -73.19 145.85 39.77 Favored 'Trans proline' 0 CA--C 1.574 2.49 0 CA-C-N 122.33 1.868 . . . . 0.0 113.42 165.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.3 m -139.58 -20.16 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.511 2.59 0 O-C-N 119.934 -1.729 . . . . 0.0 111.884 -170.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -148.81 169.91 19.41 Favored 'General case' 0 C--O 1.181 -2.537 1 O-C-N 115.38 -4.575 . . . . 0.0 110.865 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 14.3 tp -145.77 124.62 12.67 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 115.393 -2.242 . . . . 0.0 110.919 -174.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -101.94 -35.02 9.14 Favored 'General case' 0 C--N 1.409 3.171 0 CA-C-N 121.742 2.065 . . . . 0.0 111.678 -171.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 12.2 t -167.24 168.34 13.45 Favored 'General case' 0 C--O 1.256 1.397 0 N-CA-C 115.762 1.764 . . . . 0.0 115.762 -171.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 51.5 p -141.44 152.72 44.5 Favored 'General case' 0 N--CA 1.512 2.655 0 C-N-CA 126.652 1.981 . . . . 0.0 110.917 159.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.355 0.814 0 C-N-CA 128.792 2.837 . . . . 0.0 108.36 -163.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo . . . . . 0 N--CA 1.502 1.981 0 N-CA-C 108.957 -1.209 . . . . 0.0 108.957 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -63.9 -18.36 63.55 Favored 'Trans proline' 0 CA--C 1.572 2.389 1 C-N-CA 127.368 5.379 . . . . 0.0 114.283 -171.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.308 10.9 pt20 -143.38 9.71 1.64 Allowed 'General case' 0 C--O 1.257 1.452 0 C-N-CA 126.272 1.829 . . . . 0.0 114.966 -168.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -144.77 168.19 20.8 Favored 'General case' 0 N--CA 1.52 3.072 0 C-N-CA 127.777 2.431 . . . . 0.0 113.162 -171.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.62 164.76 18.43 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 120.247 1.385 . . . . 0.0 112.297 150.603 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.262 7.2 tpt180 -55.23 -51.91 65.08 Favored 'General case' 0 N--CA 1.535 3.787 0 O-C-N 119.747 -1.845 . . . . 0.0 108.388 165.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.29 -26.58 47.11 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 115.698 -2.401 . . . . 0.0 111.809 -166.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -57.43 -46.08 83.95 Favored 'General case' 0 N--CA 1.515 2.791 0 C-N-CA 124.389 1.076 . . . . 0.0 108.745 167.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 38.0 t-105 -74.72 -32.31 62.11 Favored 'General case' 0 C--O 1.205 -1.255 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -171.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -53.12 -48.79 67.59 Favored 'General case' 0 C--N 1.372 1.554 0 N-CA-C 120.067 3.358 . . . . 0.0 120.067 161.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.92 -36.07 75.06 Favored 'General case' 0 N--CA 1.504 2.227 0 CA-C-O 124.153 1.93 . . . . 0.0 113.817 -175.117 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.4 mt -53.8 -30.54 19.23 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.726 0 N-CA-C 117.351 2.352 . . . . 0.0 117.351 163.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -102.91 -18.55 15.0 Favored 'General case' 0 CA--C 1.592 2.574 0 CA-C-O 114.31 -2.757 . . . . 0.0 107.583 -175.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -145.27 6.12 1.12 Allowed 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 114.135 -2.84 . . . . 0.0 114.691 -167.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.3 mm -143.89 115.66 2.64 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.974 1 CA-C-N 126.843 4.383 . . . . 0.0 110.04 -175.343 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . 0.277 4.4 t -154.08 108.07 2.99 Favored 'General case' 0 C--O 1.259 1.604 0 N-CA-C 116.031 1.863 . . . . 0.0 116.031 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.6 tp -61.21 -60.08 4.32 Favored 'General case' 0 C--N 1.4 2.762 1 O-C-N 131.353 5.408 . . . . 0.0 113.009 -174.517 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -117.86 81.25 15.28 Favored Pre-proline 0 N--CA 1.522 3.15 0 CA-C-O 123.569 1.652 . . . . 0.0 107.137 173.027 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -79.6 155.41 24.29 Favored 'Trans proline' 0 CA--C 1.552 1.392 1 C-N-CA 130.437 7.425 . . . . 0.0 110.129 -164.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -85.53 174.17 6.99 Favored 'Trans proline' 0 C--O 1.256 1.411 1 C-N-CA 125.329 4.019 . . . . 0.0 112.433 169.114 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.0 mmt-85 -58.15 153.22 15.34 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 121.84 0.829 . . . . 0.0 112.16 178.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.1 m -64.53 -19.95 65.92 Favored 'General case' 0 CA--C 1.487 -1.454 0 CA-C-N 114.441 -1.254 . . . . 0.0 113.971 -172.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.7 p -58.5 -38.83 78.47 Favored 'General case' 0 C--N 1.31 -1.13 0 C-N-CA 125.252 1.421 . . . . 0.0 113.373 164.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.4 mm -88.25 -34.01 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 124.493 1.117 . . . . 0.0 109.297 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.65 -49.21 74.1 Favored 'General case' 0 C--N 1.378 1.826 0 O-C-N 118.733 -2.479 . . . . 0.0 107.113 -174.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 87.7 mmm -70.02 -21.93 63.16 Favored 'General case' 0 C--O 1.29 3.233 0 C-N-CA 125.892 1.677 . . . . 0.0 109.694 -165.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -57.24 -32.68 66.79 Favored 'General case' 0 N--CA 1.524 3.253 0 CA-C-O 112.516 -3.611 . . . . 0.0 112.983 170.117 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.22 -31.69 0.14 Allowed 'General case' 0 CA--C 1.491 -1.289 0 CA-C-N 123.725 2.966 . . . . 0.0 117.812 168.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.5 pt -121.73 -49.03 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.611 3.3 0 O-C-N 124.459 1.099 . . . . 0.0 110.04 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -71.47 -17.75 62.34 Favored 'General case' 0 C--N 1.389 2.306 0 O-C-N 119.315 -2.116 . . . . 0.0 114.829 -172.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.289 2.0 m-20 -97.41 19.33 13.46 Favored 'General case' 0 C--N 1.277 -2.57 0 O-C-N 124.695 1.247 . . . . 0.0 111.847 167.126 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -142.37 -5.21 0.97 Allowed 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 124.316 1.047 . . . . 0.0 113.279 -172.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -136.11 160.31 39.04 Favored 'General case' 0 CA--C 1.573 1.864 0 O-C-N 117.223 -3.423 . . . . 0.0 112.671 -177.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -60.61 -24.32 65.41 Favored 'General case' 0 C--O 1.174 -2.88 0 N-CA-C 120.122 3.378 . . . . 0.0 120.122 -170.014 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -143.88 159.34 42.71 Favored 'General case' 0 CA--C 1.603 3.005 0 O-C-N 127.135 2.772 . . . . 0.0 111.75 172.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.1 m -60.48 104.56 0.34 Allowed 'General case' 0 CA--C 1.583 2.24 0 O-C-N 128.947 3.905 . . . . 0.0 114.809 169.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -52.49 126.0 18.05 Favored 'General case' 0 C--N 1.289 -2.028 0 CA-C-O 117.226 -1.369 . . . . 0.0 110.287 156.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -52.28 -49.39 64.23 Favored 'General case' 0 C--O 1.266 1.933 0 C-N-CA 128.895 2.878 . . . . 0.0 115.281 -178.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -149.11 158.29 44.07 Favored 'General case' 0 CA--C 1.587 2.404 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 -163.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -157.14 148.86 22.39 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 127.115 2.166 . . . . 0.0 113.879 173.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 46.6 m -113.07 146.54 38.97 Favored 'General case' 0 C--N 1.29 -2.018 0 C-N-CA 126.832 2.053 . . . . 0.0 114.102 170.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -138.47 138.4 38.07 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 127.265 2.853 . . . . 0.0 111.113 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.0 mt -113.77 132.26 55.91 Favored 'General case' 0 N--CA 1.436 -1.134 0 O-C-N 120.035 -1.666 . . . . 0.0 109.053 -168.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -90.17 60.56 4.84 Favored 'General case' 0 N--CA 1.518 2.951 0 C-N-CA 124.832 1.253 . . . . 0.0 113.128 -177.136 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.3 t -139.94 -157.5 0.77 Allowed 'General case' 0 N--CA 1.502 2.14 0 C-N-CA 125.544 1.538 . . . . 0.0 109.615 -162.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.0 p -135.52 150.45 49.76 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 120.784 1.629 . . . . 0.0 111.543 175.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -49.17 -45.91 44.68 Favored 'General case' 0 CA--C 1.576 1.964 0 CA-C-N 113.222 -1.808 . . . . 0.0 112.16 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.28 -45.53 34.78 Favored 'General case' 0 N--CA 1.508 2.458 0 N-CA-C 117.862 2.541 . . . . 0.0 117.862 176.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -62.71 -47.83 81.9 Favored 'General case' 0 N--CA 1.423 -1.794 0 C-N-CA 125.219 1.408 . . . . 0.0 112.9 171.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.1 t -57.1 -34.68 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 CA-C-O 117.554 -1.213 . . . . 0.0 113.875 174.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.7 t -76.31 -34.34 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.764 0 CA-C-N 123.3 2.773 . . . . 0.0 107.307 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -65.95 -30.92 71.57 Favored 'General case' 0 C--O 1.259 1.555 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 177.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 70.0 t -72.65 -36.14 52.46 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.353 0 C-N-CA 128.17 2.588 . . . . 0.0 110.722 170.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.4 m -47.06 -26.12 0.99 Allowed 'General case' 0 N--CA 1.496 1.866 2 O-C-N 113.578 -5.701 . . . . 0.0 113.595 158.424 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -99.08 10.48 61.89 Favored Glycine 1 CA--C 1.592 4.87 0 O-C-N 123.751 0.657 . . . . 0.0 112.483 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -90.06 170.71 10.11 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 124.222 1.963 . . . . 0.0 115.486 167.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . 0.283 16.1 mt-30 -31.09 124.36 0.21 Allowed 'General case' 0 C--N 1.302 -1.495 0 O-C-N 119.38 -2.075 . . . . 0.0 112.963 177.271 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.2 m -92.09 120.46 32.72 Favored 'General case' 0 N--CA 1.506 2.342 0 CA-C-O 112.724 -3.512 . . . . 0.0 111.727 -174.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.8 pt -134.24 166.46 28.7 Favored 'Isoleucine or valine' 0 C--O 1.281 2.755 0 CA-C-N 122.003 2.183 . . . . 0.0 109.822 -168.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.6 ptt85 -87.26 160.68 18.35 Favored 'General case' 0 CA--C 1.586 2.361 0 CA-C-N 121.552 1.978 . . . . 0.0 112.895 162.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.7 m -132.77 150.73 76.54 Favored Pre-proline 0 C--O 1.253 1.266 0 O-C-N 125.212 1.57 . . . . 0.0 113.268 174.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -47.06 -20.69 1.31 Allowed 'Trans proline' 0 CA--C 1.555 1.549 1 C-N-CA 125.983 4.456 . . . . 0.0 117.195 -176.661 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -133.57 68.1 1.5 Allowed 'General case' 1 N--CA 1.551 4.592 0 CA-C-N 121.58 1.991 . . . . 0.0 110.777 172.853 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -146.1 -7.0 0.56 Allowed 'General case' 0 C--O 1.28 2.676 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 -160.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -60.22 -3.18 0.56 Allowed 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 120.228 3.418 . . . . 0.0 120.228 -169.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.0 p -63.84 -46.03 86.89 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-N 121.541 1.973 . . . . 0.0 112.095 167.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.3 1.7 pt? -122.75 -9.01 8.4 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 118.455 2.761 . . . . 0.0 118.455 -173.501 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.9 t30 48.65 33.14 3.95 Favored 'General case' 0 CA--C 1.613 3.378 0 C-N-CA 128.876 2.87 . . . . 0.0 112.917 171.17 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -146.81 111.08 5.12 Favored 'General case' 0 C--O 1.267 2.001 0 CA-C-N 111.763 -2.471 . . . . 0.0 106.677 -171.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.4 p -134.94 172.34 13.13 Favored 'General case' 0 C--O 1.18 -2.564 0 CA-C-N 112.248 -2.251 . . . . 0.0 109.303 171.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -146.57 152.59 39.18 Favored 'General case' 0 CA--C 1.568 1.665 0 C-N-CA 128.718 2.807 . . . . 0.0 110.29 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 46.8 ptt85 -122.83 154.95 37.57 Favored 'General case' 0 C--N 1.378 1.845 0 O-C-N 126.118 2.136 . . . . 0.0 114.755 169.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.1 p -72.81 129.92 39.29 Favored 'General case' 0 C--N 1.366 1.315 0 O-C-N 118.162 -2.836 . . . . 0.0 111.73 -166.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.427 ' HG3' ' H ' ' A' ' 75' ' ' ARG . 36.1 mtt-85 -47.61 -20.11 0.24 Allowed 'General case' 0 N--CA 1.509 2.486 0 N-CA-C 117.498 2.407 . . . . 0.0 117.498 173.593 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -158.84 150.91 21.2 Favored 'General case' 0 C--N 1.383 2.028 0 O-C-N 126.528 2.393 . . . . 0.0 105.116 -171.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -60.26 158.99 10.56 Favored 'General case' 0 C--N 1.382 2.019 0 CA-C-N 113.341 -1.754 . . . . 0.0 111.878 171.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.8 m -140.34 156.27 69.81 Favored Pre-proline 0 N--CA 1.436 -1.165 0 C-N-CA 129.524 3.13 . . . . 0.0 108.233 175.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -73.01 155.1 52.96 Favored 'Trans proline' 0 C--O 1.277 2.444 0 C-N-CA 117.15 -1.433 . . . . 0.0 112.125 172.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' A' ' 105' ' ' ARG . 1.8 pp -156.49 174.09 15.94 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-O 117.834 -1.079 . . . . 0.0 109.161 -176.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . 0.25 58.9 tp -143.25 138.14 29.4 Favored 'General case' 0 CA--C 1.482 -1.657 1 C-N-CA 131.711 4.005 . . . . 0.0 110.427 -178.83 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -127.57 141.64 51.59 Favored 'General case' 0 N--CA 1.418 -2.057 0 C-N-CA 127.169 2.187 . . . . 0.0 114.042 176.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 76.5 m -119.03 155.13 31.97 Favored 'General case' 0 C--O 1.201 -1.479 0 CA-C-O 126.452 3.025 . . . . 0.0 112.237 -175.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -148.22 116.62 6.56 Favored 'General case' 0 C--N 1.297 -1.676 1 O-C-N 115.668 -4.395 . . . . 0.0 114.158 -166.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 27.1 tp -63.39 86.88 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 128.06 2.544 . . . . 0.0 111.276 176.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.6 pt -48.78 -22.8 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.577 2.001 0 O-C-N 117.351 -3.343 . . . . 0.0 116.68 -169.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -137.55 109.44 8.7 Favored Pre-proline 0 C--O 1.169 -3.134 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 157.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -60.22 -2.64 1.9 Allowed 'Trans proline' 0 CA--C 1.582 2.886 0 C-N-CA 124.683 3.589 . . . . 0.0 116.279 168.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.31 -19.64 66.6 Favored Glycine 0 CA--C 1.558 2.776 0 N-CA-C 117.386 1.714 . . . . 0.0 117.386 167.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -81.93 153.35 26.34 Favored 'General case' 0 CA--C 1.591 2.53 0 N-CA-C 120.441 3.497 . . . . 0.0 120.441 163.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -138.11 -3.37 1.78 Allowed 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 124.46 1.104 . . . . 0.0 113.335 -176.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -138.87 148.89 44.24 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.289 1.836 . . . . 0.0 112.458 -173.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.5 pt -74.61 -3.93 5.17 Favored 'Isoleucine or valine' 0 CA--C 1.616 3.503 0 CA-C-N 111.566 -2.561 . . . . 0.0 113.89 -171.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . 0.265 1.7 m -75.76 -12.9 60.27 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 120.646 1.566 . . . . 0.0 113.372 159.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -137.52 -8.03 1.7 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 116.655 -3.778 . . . . 0.0 119.897 175.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 99.2 m -65.93 145.05 56.37 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.366 -0.834 . . . . 0.0 108.756 174.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -149.38 152.47 35.82 Favored 'General case' 0 N--CA 1.518 2.94 0 C-N-CA 126.662 1.985 . . . . 0.0 111.016 -177.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -147.05 153.58 40.16 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 118.721 -2.487 . . . . 0.0 113.242 -172.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.59 164.99 25.43 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 122.147 0.975 . . . . 0.0 109.941 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -107.47 124.91 50.58 Favored 'General case' 0 CA--C 1.493 -1.229 0 C-N-CA 127.79 2.436 . . . . 0.0 113.596 -156.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.73 82.03 64.47 Favored Pre-proline 0 CA--C 1.556 1.181 0 O-C-N 118.541 -2.599 . . . . 0.0 107.577 -176.29 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -45.94 169.63 0.04 OUTLIER 'Trans proline' 0 C--N 1.408 3.71 0 CA-C-O 126.041 2.434 . . . . 0.0 113.946 164.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 174.92 177.31 43.93 Favored Glycine 0 CA--C 1.467 -2.964 0 CA-C-N 110.42 -3.082 . . . . 0.0 107.63 173.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -159.29 103.03 1.61 Allowed 'General case' 0 C--O 1.263 1.804 0 C-N-CA 130.127 3.371 . . . . 0.0 111.535 -173.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.422 ' HB2' HD21 ' A' ' 80' ' ' LEU . 43.4 mtm-85 -150.02 172.14 15.72 Favored 'General case' 0 CA--C 1.571 1.776 0 C-N-CA 129.619 3.168 . . . . 0.0 112.356 -161.356 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -71.78 175.94 5.32 Favored 'General case' 0 CA--C 1.593 2.603 0 CA-C-N 122.344 2.338 . . . . 0.0 108.853 159.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -135.05 158.02 45.42 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 112.887 -1.96 . . . . 0.0 111.886 168.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.0 t -129.65 113.24 26.68 Favored 'Isoleucine or valine' 0 C--O 1.253 1.254 0 CA-C-N 118.603 0.638 . . . . 0.0 111.031 -174.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 16.8 m -134.02 164.4 34.62 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 O-C-N 120.283 -1.511 . . . . 0.0 114.988 -160.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -112.33 151.94 29.14 Favored 'General case' 0 C--O 1.246 0.898 0 C-N-CA 125.237 1.415 . . . . 0.0 112.32 173.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 63.5 m -137.23 157.68 46.12 Favored 'General case' 0 N--CA 1.512 2.655 0 C-N-CA 128.323 2.649 . . . . 0.0 110.425 -172.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -152.4 171.59 17.8 Favored 'General case' 0 CA--C 1.59 2.481 0 C-N-CA 128.144 2.578 . . . . 0.0 108.816 -165.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -61.65 145.75 51.25 Favored 'General case' 0 N--CA 1.405 -2.687 0 O-C-N 128.236 3.46 . . . . 0.0 108.136 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -57.28 145.38 32.17 Favored 'General case' 0 N--CA 1.532 3.629 0 C-N-CA 128.621 2.768 . . . . 0.0 112.511 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.56 148.85 85.68 Favored Pre-proline 0 C--N 1.359 1.001 0 CA-C-O 124.144 1.926 . . . . 0.0 109.841 166.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -51.8 -25.26 20.53 Favored 'Trans proline' 0 C--N 1.403 3.426 0 C-N-CA 124.945 3.763 . . . . 0.0 115.533 172.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 53.3 mtt85 -147.81 -27.8 0.35 Allowed 'General case' 0 C--O 1.204 -1.313 0 CA-C-O 114.812 -2.518 . . . . 0.0 109.828 -164.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -83.01 144.8 29.71 Favored 'General case' 0 CA--C 1.564 1.485 0 CA-C-N 123.531 2.878 . . . . 0.0 117.481 173.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 42.6 m 48.91 57.89 18.13 Favored Pre-proline 0 C--N 1.306 -1.309 0 C-N-CA 131.441 3.897 . . . . 0.0 114.91 169.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -53.59 -11.52 2.2 Favored 'Trans proline' 0 C--N 1.394 2.945 0 N-CA-C 118.369 2.411 . . . . 0.0 118.369 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -53.69 -21.68 7.5 Favored 'General case' 0 C--O 1.256 1.432 0 O-C-N 117.573 -3.205 . . . . 0.0 110.991 176.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -127.66 133.36 25.01 Favored Pre-proline 1 N--CA 1.543 4.177 0 C-N-CA 125.933 1.693 . . . . 0.0 114.558 -166.682 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -69.45 -33.67 17.26 Favored 'Trans proline' 0 C--N 1.373 1.84 0 C-N-CA 124.056 3.171 . . . . 0.0 115.294 173.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 31.6 m -147.17 152.4 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 C-N-CA 128.032 2.533 . . . . 0.0 104.236 -170.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 18.8 m -132.69 138.38 31.87 Favored Pre-proline 0 CA--C 1.586 2.337 0 C-N-CA 128.157 2.583 . . . . 0.0 109.729 -171.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -60.71 148.73 90.75 Favored 'Trans proline' 0 C--O 1.257 1.451 1 C-N-CA 127.897 5.731 . . . . 0.0 106.483 166.275 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 34.3 m -148.42 -4.59 0.1 Allowed 'Isoleucine or valine' 1 N--CA 1.546 4.336 0 CA-C-O 115.927 -1.987 . . . . 0.0 113.213 -173.297 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -163.02 157.97 21.55 Favored 'General case' 0 C--O 1.283 2.833 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 52.1 tp -129.09 147.42 50.95 Favored 'General case' 0 N--CA 1.518 2.944 0 N-CA-C 105.214 -2.143 . . . . 0.0 105.214 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -123.35 -47.58 1.99 Allowed 'General case' 0 CA--C 1.594 2.655 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . 0.296 13.9 t -149.76 172.01 15.79 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-O 124.612 2.148 . . . . 0.0 107.182 176.431 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 70.3 p -142.79 140.1 31.23 Favored 'General case' 0 CA--C 1.577 2.009 0 N-CA-C 106.322 -1.732 . . . . 0.0 106.322 168.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.383 0.2 OUTLIER . . . . . 0 C--O 1.253 1.24 0 O-C-N 126.35 2.281 . . . . 0.0 113.548 -169.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo . . . . . 0 C--O 1.268 1.989 0 N-CA-C 110.315 -0.687 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -57.17 -24.85 61.05 Favored 'Trans proline' 0 CA--C 1.485 -1.927 0 N-CA-C 117.178 1.953 . . . . 0.0 117.178 -162.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -134.62 -1.15 2.82 Favored 'General case' 0 CA--C 1.61 3.281 0 N-CA-C 115.275 1.584 . . . . 0.0 115.275 -174.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -135.53 170.65 15.62 Favored 'General case' 0 CA--C 1.613 3.373 0 CA-C-N 120.811 1.641 . . . . 0.0 109.056 -173.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.7 p -77.4 163.81 26.05 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 126.152 2.158 . . . . 0.0 111.529 157.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -56.28 -43.66 79.05 Favored 'General case' 0 C--O 1.178 -2.679 0 O-C-N 127.107 2.754 . . . . 0.0 108.913 172.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.62 -38.25 77.15 Favored 'General case' 0 N--CA 1.5 2.047 1 O-C-N 129.753 4.408 . . . . 0.0 112.872 -178.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -62.29 -52.07 65.18 Favored 'General case' 0 C--N 1.37 1.466 0 CA-C-O 126.794 3.188 . . . . 0.0 111.032 170.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -55.42 -35.69 65.67 Favored 'General case' 0 C--O 1.265 1.887 0 O-C-N 117.318 -3.364 . . . . 0.0 117.342 176.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -51.43 -49.9 60.78 Favored 'General case' 0 C--N 1.272 -2.791 0 C-N-CA 128.028 2.531 . . . . 0.0 109.879 160.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.31 -33.36 67.31 Favored 'General case' 0 N--CA 1.518 2.939 0 CA-C-N 120.08 1.309 . . . . 0.0 112.196 -175.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.3 mt -79.37 -24.93 12.54 Favored 'Isoleucine or valine' 0 C--O 1.276 2.452 0 CA-C-O 112.489 -3.625 . . . . 0.0 108.943 173.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -80.55 -20.4 43.51 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 123.12 2.691 . . . . 0.0 112.119 172.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -149.58 -1.29 0.45 Allowed 'General case' 0 CA--C 1.604 3.025 1 N-CA-C 125.727 5.455 . . . . 0.0 125.727 -161.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.4 mm -120.11 133.98 65.09 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.967 0 C-N-CA 127.915 2.486 . . . . 0.0 106.259 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.2 t -150.66 179.24 8.35 Favored 'General case' 0 N--CA 1.522 3.165 0 CA-C-N 112.719 -2.037 . . . . 0.0 111.105 175.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.6 tp -145.8 -27.42 0.44 Allowed 'General case' 0 C--O 1.197 -1.667 0 O-C-N 117.435 -3.29 . . . . 0.0 112.56 166.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -127.56 58.13 29.5 Favored Pre-proline 0 N--CA 1.485 1.289 0 CA-C-O 114.704 -2.57 . . . . 0.0 111.367 171.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -67.16 156.23 67.2 Favored 'Trans proline' 0 CA--C 1.581 2.836 0 CA-C-N 125.766 3.095 . . . . 0.0 110.395 -163.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.441 ' HG2' ' HB2' ' A' ' 26' ' ' ALA . 98.0 Cg_endo -70.47 178.04 5.43 Favored 'Trans proline' 0 C--N 1.369 1.618 0 CA-C-N 120.948 1.374 . . . . 0.0 115.57 169.091 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 60.0 mmt-85 -40.27 148.99 0.08 Allowed 'General case' 0 C--N 1.309 -1.162 0 CA-C-O 116.594 -1.67 . . . . 0.0 114.35 146.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.457 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . 80.4 m -69.3 -16.38 63.54 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 127.234 2.214 . . . . 0.0 110.002 178.272 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.1 p -58.33 -29.75 66.17 Favored 'General case' 0 CA--C 1.566 1.562 1 C-N-CA 132.634 4.374 . . . . 0.0 109.02 169.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 32.5 mm -116.9 -41.67 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.656 0 C-N-CA 128.776 2.83 . . . . 0.0 108.919 -179.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.457 ' HB3' ' HA ' ' A' ' 23' ' ' CYS . . . -52.3 -23.5 5.9 Favored 'General case' 0 N--CA 1.52 3.057 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 88.6 mmm -87.03 -26.05 23.93 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 173.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -59.93 -29.53 68.45 Favored 'General case' 0 CA--C 1.557 1.248 0 O-C-N 119.555 -1.965 . . . . 0.0 114.33 -176.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -42.38 -31.89 0.46 Allowed 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.767 2.027 . . . . 0.0 115.394 166.09 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.1 pt -114.84 -40.17 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.939 0 C-N-CA 125.302 1.441 . . . . 0.0 111.71 173.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -84.07 -14.52 50.27 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 116.753 -1.594 . . . . 0.0 112.327 -161.29 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -98.53 -11.3 22.37 Favored 'General case' 0 C--O 1.271 2.217 0 CA-C-O 125.283 2.468 . . . . 0.0 114.258 169.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -100.52 -6.42 25.47 Favored 'General case' 0 C--O 1.278 2.589 1 C-N-CA 132.313 4.245 . . . . 0.0 108.922 -168.504 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -140.39 162.5 35.16 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 128.173 3.421 . . . . 0.0 114.173 -170.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.8 p-90 -71.32 -27.09 63.15 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-O 113.747 -3.025 . . . . 0.0 115.203 -164.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -135.37 175.92 9.15 Favored 'General case' 0 C--O 1.267 2.014 0 CA-C-N 123.32 2.782 . . . . 0.0 111.276 163.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.2 m -78.43 119.46 21.78 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -67.99 149.14 50.1 Favored 'General case' 0 C--O 1.243 0.76 0 C-N-CA 127.07 2.148 . . . . 0.0 112.396 170.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 62.9 t-20 -75.88 -50.06 16.15 Favored 'General case' 0 CA--C 1.592 2.572 0 O-C-N 125.831 1.957 . . . . 0.0 113.659 -168.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -135.96 155.82 49.68 Favored 'General case' 0 N--CA 1.396 -3.135 0 O-C-N 120.146 -1.596 . . . . 0.0 112.468 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -146.73 173.8 12.04 Favored 'General case' 0 C--O 1.259 1.582 0 O-C-N 117.902 -2.999 . . . . 0.0 108.537 161.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.6 m -133.75 133.3 41.57 Favored 'General case' 0 N--CA 1.51 2.569 0 O-C-N 128.236 3.46 . . . . 0.0 113.455 171.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -122.3 97.42 5.46 Favored 'General case' 0 CA--C 1.577 1.983 1 C-N-CA 132.034 4.133 . . . . 0.0 110.424 178.449 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.6 mt -59.65 135.29 57.63 Favored 'General case' 0 C--O 1.25 1.124 0 C-N-CA 125.95 1.7 . . . . 0.0 113.147 170.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -93.55 75.38 4.41 Favored 'General case' 0 N--CA 1.517 2.887 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 170.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -149.98 171.65 16.49 Favored 'General case' 0 N--CA 1.512 2.633 0 C-N-CA 124.277 1.031 . . . . 0.0 110.679 171.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.4 p -78.84 145.78 34.06 Favored 'General case' 0 CA--C 1.487 -1.476 0 C-N-CA 125.655 1.582 . . . . 0.0 112.037 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . 0.259 48.2 t80 -57.42 -34.62 69.1 Favored 'General case' 0 CA--C 1.584 2.269 0 O-C-N 118.245 -2.784 . . . . 0.0 111.603 170.622 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.99 -32.12 72.56 Favored 'General case' 0 C--O 1.264 1.851 0 N-CA-C 118.148 2.647 . . . . 0.0 118.148 174.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -68.25 -53.56 23.78 Favored 'General case' 0 CA--C 1.601 2.904 0 O-C-N 119.559 -1.963 . . . . 0.0 112.822 168.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.7 t -53.53 -38.56 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 C-N-CA 124.587 1.155 . . . . 0.0 110.58 175.338 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.427 HG11 ' CG ' ' A' ' 122' ' ' TYR . 69.3 t -71.3 -37.7 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 CA-C-O 123.221 1.486 . . . . 0.0 113.202 -179.236 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -59.4 -31.26 69.08 Favored 'General case' 0 CA--C 1.589 2.462 0 O-C-N 118.257 -2.777 . . . . 0.0 116.859 161.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.9 t -76.65 -19.37 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 CA-C-O 116.271 -1.823 . . . . 0.0 111.03 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 81.3 m -62.06 -15.12 42.43 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 163.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -108.39 18.02 33.36 Favored Glycine 0 C--N 1.371 2.509 0 O-C-N 119.725 -1.859 . . . . 0.0 112.859 175.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -79.36 171.41 15.21 Favored 'General case' 0 C--N 1.312 -1.046 0 O-C-N 118.597 -2.708 . . . . 0.0 108.365 172.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -30.59 127.15 0.15 Allowed 'General case' 0 C--N 1.385 2.146 0 O-C-N 117.252 -3.405 . . . . 0.0 112.199 170.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.0 m -93.61 72.37 4.31 Favored 'General case' 0 CA--C 1.602 2.97 0 CA-C-O 128.417 3.961 . . . . 0.0 107.318 -173.338 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 32.7 pt -72.68 -178.42 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 C-N-CA 129.293 3.037 . . . . 0.0 113.595 174.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.4 ptt85 -137.68 148.36 45.63 Favored 'General case' 0 N--CA 1.5 2.062 0 CA-C-O 117.093 -1.432 . . . . 0.0 113.278 -174.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . 0.257 81.8 m -136.18 165.78 33.05 Favored Pre-proline 0 C--N 1.282 -2.326 0 CA-C-N 119.268 0.94 . . . . 0.0 109.466 -169.022 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -63.47 -17.14 58.66 Favored 'Trans proline' 0 C--O 1.2 -1.392 0 N-CA-C 117.683 2.147 . . . . 0.0 117.683 -176.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -124.28 46.33 2.31 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.341 -1.474 . . . . 0.0 114.902 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -149.29 3.36 0.58 Allowed 'General case' 0 C--O 1.275 2.404 0 C-N-CA 128.398 2.679 . . . . 0.0 114.3 -162.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.5 ptt-85 -48.49 -27.14 2.51 Favored 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 116.644 2.09 . . . . 0.0 116.644 177.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.2 p -72.28 -21.33 61.37 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 117.197 -1.382 . . . . 0.0 111.968 -172.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -127.89 -22.77 3.47 Favored 'General case' 0 C--O 1.197 -1.674 0 N-CA-C 118.025 2.602 . . . . 0.0 118.025 163.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 43.2 t30 64.42 35.87 9.31 Favored 'General case' 0 C--O 1.207 -1.184 0 C-N-CA 126.27 1.828 . . . . 0.0 108.833 170.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -137.28 115.54 11.76 Favored 'General case' 0 N--CA 1.489 1.49 1 C-N-CA 131.994 4.118 . . . . 0.0 109.934 173.602 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 32.1 p -147.48 171.16 15.96 Favored 'General case' 0 N--CA 1.533 3.68 0 C-N-CA 131.471 3.908 . . . . 0.0 108.163 173.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -148.08 149.08 31.41 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 118.536 -2.602 . . . . 0.0 108.533 -174.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -111.92 169.71 8.65 Favored 'General case' 0 CA--C 1.571 1.777 0 O-C-N 119.835 -1.791 . . . . 0.0 111.421 159.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.4 p -71.97 174.94 6.33 Favored 'General case' 0 C--N 1.377 1.776 0 O-C-N 127.74 3.15 . . . . 0.0 107.202 -162.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -97.03 -35.39 10.85 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 127.775 2.43 . . . . 0.0 115.968 170.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -148.2 153.18 38.43 Favored 'General case' 0 CA--C 1.611 3.304 0 C-N-CA 127.237 2.215 . . . . 0.0 105.241 -169.01 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 31.0 mtm180 -78.57 150.4 32.81 Favored 'General case' 0 C--N 1.38 1.903 0 CA-C-O 123.842 1.782 . . . . 0.0 114.178 173.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.1 m -130.6 158.54 74.39 Favored Pre-proline 0 N--CA 1.51 2.527 0 CA-C-N 110.052 -3.249 . . . . 0.0 110.226 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.61 159.68 45.49 Favored 'Trans proline' 0 C--O 1.269 2.067 0 O-C-N 124.506 1.793 . . . . 0.0 110.95 171.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.587 ' C ' HD12 ' A' ' 80' ' ' LEU . 3.4 pp -156.4 170.03 23.24 Favored 'General case' 0 C--N 1.279 -2.474 0 O-C-N 119.629 -1.919 . . . . 0.0 110.754 177.398 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.0 tp -114.03 126.45 55.14 Favored 'General case' 0 C--O 1.265 1.879 0 N-CA-C 118.041 2.608 . . . . 0.0 118.041 161.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -105.24 145.34 30.79 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 127.1 2.16 . . . . 0.0 111.42 165.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 95.8 m -134.92 150.07 50.35 Favored 'General case' 0 C--N 1.368 1.393 0 CA-C-O 116.425 -1.75 . . . . 0.0 113.064 -173.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -152.48 100.87 2.61 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 124.618 3.372 . . . . 0.0 108.37 -143.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.3 tp -64.2 126.29 27.26 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 116.978 -1.487 . . . . 0.0 110.078 178.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 21.7 pt -61.79 -37.91 79.23 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 CA-C-O 114.956 -2.449 . . . . 0.0 115.341 -174.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -148.2 113.46 3.85 Favored Pre-proline 0 N--CA 1.497 1.911 0 O-C-N 126.549 2.406 . . . . 0.0 110.481 -174.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -52.68 -26.87 31.31 Favored 'Trans proline' 0 CA--C 1.487 -1.853 1 CA-C-O 108.88 -4.717 . . . . 0.0 111.712 -178.796 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -37.07 -42.35 0.77 Allowed Glycine 0 N--CA 1.493 2.471 0 CA-C-N 125.019 3.554 . . . . 0.0 120.215 164.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.36 144.53 37.91 Favored 'General case' 0 C--N 1.29 -1.982 0 CA-C-N 121.377 2.589 . . . . 0.0 112.263 -165.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -145.81 -9.48 0.54 Allowed 'General case' 0 N--CA 1.509 2.484 0 N-CA-C 115.917 1.821 . . . . 0.0 115.917 -175.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -93.72 125.49 38.36 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 116.274 -1.822 . . . . 0.0 113.397 168.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 42.1 pt -43.09 -32.67 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 CA-C-N 123.86 3.027 . . . . 0.0 116.141 -179.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.7 m -63.04 -42.57 99.78 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 131.128 3.771 . . . . 0.0 112.105 -175.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . 0.253 18.3 t-20 -104.77 -30.57 9.82 Favored 'General case' 0 N--CA 1.395 -3.18 0 C-N-CA 127.759 2.424 . . . . 0.0 112.011 -177.248 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 60.6 m -52.38 130.29 30.82 Favored 'General case' 0 CA--C 1.568 1.667 0 CA-C-O 126.655 3.121 . . . . 0.0 113.853 168.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -134.36 150.06 50.89 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-N 112.019 -2.355 . . . . 0.0 110.599 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -133.81 157.5 45.75 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 111.786 -2.461 . . . . 0.0 116.802 -167.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.415 ' HB1' ' NH1' ' A' ' 101' ' ' ARG . . . -125.1 153.01 43.62 Favored 'General case' 0 C--O 1.268 2.059 0 CA-C-N 113.81 -1.541 . . . . 0.0 110.599 -173.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -106.96 115.3 29.94 Favored 'General case' 0 C--N 1.289 -2.063 0 C-N-CA 129.495 3.118 . . . . 0.0 109.508 -165.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.415 ' NH1' ' HB1' ' A' ' 99' ' ' ALA . 0.9 OUTLIER -129.51 76.01 79.2 Favored Pre-proline 0 CA--C 1.57 1.723 0 N-CA-C 105.002 -2.221 . . . . 0.0 105.002 -178.232 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -73.17 167.12 28.16 Favored 'Trans proline' 0 C--O 1.267 1.942 0 O-C-N 123.681 1.358 . . . . 0.0 108.977 164.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 168.62 -158.63 31.4 Favored Glycine 1 N--CA 1.525 4.623 0 CA-C-N 112.865 -1.97 . . . . 0.0 110.263 -174.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -146.99 128.69 15.2 Favored 'General case' 0 C--N 1.394 2.517 0 CA-C-O 112.703 -3.523 . . . . 0.0 113.974 -175.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -153.0 160.97 43.06 Favored 'General case' 0 CA--C 1.557 1.248 0 CA-C-N 124.221 3.191 . . . . 0.0 112.183 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -58.43 177.03 0.15 Allowed 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 118.638 2.829 . . . . 0.0 118.638 156.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -138.45 163.07 32.87 Favored 'General case' 0 CA--C 1.583 2.225 0 N-CA-C 116.444 2.016 . . . . 0.0 116.444 167.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.2 t -132.39 131.38 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.18 0 N-CA-C 104.684 -2.339 . . . . 0.0 104.684 176.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.9 m -133.72 149.51 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 C-N-CA 129.169 2.988 . . . . 0.0 111.788 -163.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.84 150.53 30.25 Favored 'General case' 0 C--N 1.366 1.322 0 O-C-N 119.978 -1.701 . . . . 0.0 110.533 161.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 61.1 m -129.06 162.72 27.02 Favored 'General case' 0 C--O 1.25 1.129 0 O-C-N 124.698 1.249 . . . . 0.0 113.921 -178.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -138.82 -178.63 5.41 Favored 'General case' 0 C--O 1.177 -2.746 0 C-N-CA 123.167 0.587 . . . . 0.0 110.602 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -76.04 163.09 27.49 Favored 'General case' 0 CA--C 1.586 2.347 0 N-CA-C 116.007 1.854 . . . . 0.0 116.007 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -61.27 143.13 56.2 Favored 'General case' 0 C--O 1.196 -1.763 0 O-C-N 120.838 -1.164 . . . . 0.0 110.593 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . 0.282 5.5 t70 -65.72 157.2 80.41 Favored Pre-proline 0 C--O 1.189 -2.104 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 149.207 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . 0.348 52.7 Cg_exo -50.65 -34.19 42.5 Favored 'Trans proline' 0 CA--C 1.577 2.665 0 CA-C-O 114.706 -2.289 . . . . 0.0 111.714 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -131.65 -23.47 2.31 Favored 'General case' 0 CA--C 1.494 -1.206 0 CA-C-N 122.729 2.513 . . . . 0.0 115.822 -159.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -84.17 139.86 32.12 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 117.106 -3.497 . . . . 0.0 107.229 -175.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 43.7 m 38.25 61.81 4.44 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 129.906 3.282 . . . . 0.0 110.436 176.257 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -77.56 10.84 2.37 Favored 'Trans proline' 0 N--CA 1.435 -1.965 0 C-N-CA 124.176 3.251 . . . . 0.0 114.894 -168.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 35.4 ttt-85 -77.94 -14.13 59.64 Favored 'General case' 0 C--O 1.17 -3.09 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 172.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.427 ' CG ' HG11 ' A' ' 52' ' ' VAL . 5.5 m-85 -128.45 131.64 23.89 Favored Pre-proline 0 C--O 1.258 1.521 0 O-C-N 119.191 -2.193 . . . . 0.0 114.974 -164.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -71.52 -16.47 30.61 Favored 'Trans proline' 0 C--N 1.377 2.062 0 CA-C-N 123.113 2.148 . . . . 0.0 112.391 178.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.2 m -149.56 165.84 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.473 0 CA-C-O 116.678 -1.629 . . . . 0.0 114.413 -172.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.58 138.47 10.57 Favored Pre-proline 0 C--O 1.259 1.595 0 O-C-N 124.706 1.254 . . . . 0.0 111.141 -161.102 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -57.31 141.45 94.7 Favored 'Trans proline' 1 N--CA 1.367 -5.914 1 C-N-CA 126.115 4.543 . . . . 0.0 113.297 171.628 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 34.4 m -137.22 -17.74 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.769 0 N-CA-C 118.478 2.77 . . . . 0.0 118.478 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -143.42 158.45 43.63 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 117.154 -1.403 . . . . 0.0 113.898 173.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 22.3 tp -116.7 127.64 54.6 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 113.741 -3.028 . . . . 0.0 110.082 176.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.474 ' O ' ' HB ' ' A' ' 131' ' ' THR . 27.5 t70 -104.58 -35.43 7.85 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-N 123.84 3.018 . . . . 0.0 109.82 -168.244 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' THR . . . . . 0.474 ' HB ' ' O ' ' A' ' 130' ' ' ASP . 15.1 t -166.76 -173.99 2.6 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 124.543 1.137 . . . . 0.0 113.049 160.137 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 58.5 p -134.69 144.17 47.63 Favored 'General case' 0 N--CA 1.539 3.976 0 O-C-N 118.953 -2.342 . . . . 0.0 114.056 160.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.35 0.2 OUTLIER . . . . . 0 C--N 1.393 2.486 0 CA-C-N 121.819 2.1 . . . . 0.0 112.891 -162.471 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo . . . . . 0 CA--C 1.562 1.88 0 N-CA-C 114.071 0.758 . . . . 0.0 114.071 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -74.42 -24.92 13.64 Favored 'Trans proline' 0 CA--C 1.566 2.085 0 N-CA-C 119.162 2.716 . . . . 0.0 119.162 -169.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -138.69 3.91 2.31 Favored 'General case' 0 N--CA 1.512 2.635 0 N-CA-C 119.804 3.261 . . . . 0.0 119.804 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -144.07 153.23 41.97 Favored 'General case' 0 N--CA 1.511 2.619 0 C-N-CA 124.446 1.098 . . . . 0.0 109.369 177.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.0 p -77.3 162.32 27.4 Favored 'General case' 0 C--O 1.262 1.715 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.18 164.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -62.33 -31.68 72.34 Favored 'General case' 0 CA--C 1.556 1.184 0 CA-C-O 112.99 -3.386 . . . . 0.0 108.06 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.9 -27.49 62.87 Favored 'General case' 0 CA--C 1.609 3.225 0 CA-C-N 122.757 2.526 . . . . 0.0 113.266 176.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -74.53 -37.08 63.16 Favored 'General case' 0 CA--C 1.569 1.687 0 C-N-CA 128.323 2.649 . . . . 0.0 109.606 169.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -70.57 -46.6 63.19 Favored 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 116.638 2.088 . . . . 0.0 116.638 174.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -33.86 -56.54 0.47 Allowed 'General case' 0 N--CA 1.438 -1.025 0 C-N-CA 127.407 2.283 . . . . 0.0 115.53 158.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.25 -51.35 61.36 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 124.893 1.277 . . . . 0.0 112.335 -177.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.0 mt -59.66 -25.61 32.35 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.994 0 O-C-N 127.928 3.268 . . . . 0.0 110.193 -174.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -88.55 -23.74 23.08 Favored 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 117.228 2.307 . . . . 0.0 117.228 174.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -137.42 -12.55 1.58 Allowed 'General case' 0 C--O 1.26 1.634 0 O-C-N 119.748 -1.845 . . . . 0.0 114.089 -166.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.1 mm -114.97 133.9 59.72 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.359 0 O-C-N 116.554 -3.841 . . . . 0.0 112.818 -169.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.1 t -161.94 -178.15 6.27 Favored 'General case' 0 CA--C 1.583 2.231 0 CA-C-N 112.572 -2.104 . . . . 0.0 111.036 -159.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.6 tp -158.31 -22.97 0.08 Allowed 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 112.411 -2.177 . . . . 0.0 113.315 172.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -157.92 72.04 4.14 Favored Pre-proline 0 CA--C 1.592 2.558 0 CA-C-N 124.844 3.474 . . . . 0.0 106.856 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.33 151.98 49.15 Favored 'Trans proline' 0 C--N 1.398 3.144 0 CA-C-O 122.68 1.033 . . . . 0.0 112.233 -165.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -70.48 174.6 9.89 Favored 'Trans proline' 0 CA--C 1.577 2.628 0 CA-C-O 123.662 1.442 . . . . 0.0 111.021 170.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.4 mmt-85 -58.79 152.98 17.87 Favored 'General case' 0 N--CA 1.428 -1.571 1 O-C-N 115.593 -4.442 . . . . 0.0 109.407 175.541 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.522 ' SG ' ' HA ' ' A' ' 100' ' ' ASP . 5.6 m -48.65 -34.86 12.59 Favored 'General case' 0 C--N 1.399 2.726 0 C-N-CA 127.945 2.498 . . . . 0.0 113.672 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.3 p -48.6 -48.18 39.37 Favored 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 131.462 3.905 . . . . 0.0 108.813 170.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 37.4 mm -89.24 -35.82 8.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 O-C-N 118.247 -2.783 . . . . 0.0 114.438 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.87 -39.91 55.59 Favored 'General case' 0 N--CA 1.511 2.586 0 O-C-N 119.7 -1.875 . . . . 0.0 113.616 -173.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 83.4 mmm -62.99 -16.15 58.7 Favored 'General case' 0 C--N 1.41 3.213 0 O-C-N 120.146 -1.596 . . . . 0.0 112.168 172.031 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -65.91 -17.72 64.85 Favored 'General case' 0 N--CA 1.508 2.444 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 165.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.71 -36.77 72.46 Favored 'General case' 0 N--CA 1.411 -2.391 0 O-C-N 119.934 -1.729 . . . . 0.0 114.576 171.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 pt -97.87 -59.87 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.547 0 CA-C-O 123.746 1.736 . . . . 0.0 108.679 173.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -76.45 -11.41 59.88 Favored 'General case' 0 CA--C 1.562 1.438 0 O-C-N 116.783 -3.698 . . . . 0.0 114.994 -159.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -102.69 27.09 7.24 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 128.921 2.888 . . . . 0.0 117.53 165.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -144.09 -37.86 0.31 Allowed 'General case' 0 N--CA 1.498 1.972 0 CA-C-O 114.102 -2.856 . . . . 0.0 105.363 -175.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -86.5 163.53 17.47 Favored 'General case' 0 CA--C 1.571 1.767 0 CA-C-N 120.821 1.646 . . . . 0.0 110.16 170.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 16.1 p-90 -57.05 -29.44 63.41 Favored 'General case' 0 N--CA 1.393 -3.318 1 N-CA-C 122.345 4.202 . . . . 0.0 122.345 174.383 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -132.39 170.51 14.99 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 127.599 2.36 . . . . 0.0 114.446 171.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 78.3 m -58.4 172.27 0.49 Allowed 'General case' 0 N--CA 1.5 2.04 0 O-C-N 127.239 2.837 . . . . 0.0 116.966 165.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -149.54 144.82 26.49 Favored 'General case' 0 CA--C 1.502 -0.896 0 C-N-CA 131.562 3.945 . . . . 0.0 110.343 172.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -66.97 -48.82 67.35 Favored 'General case' 0 N--CA 1.403 -2.822 0 N-CA-C 121.52 3.896 . . . . 0.0 121.52 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -141.81 150.91 42.28 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-O 123.464 1.602 . . . . 0.0 106.906 -176.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -151.34 148.97 28.79 Favored 'General case' 0 N--CA 1.503 2.185 0 C-N-CA 127.409 2.284 . . . . 0.0 113.611 163.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.2 m -114.82 142.24 46.82 Favored 'General case' 0 C--O 1.195 -1.797 0 O-C-N 128.685 3.74 . . . . 0.0 108.936 174.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -124.0 151.64 43.49 Favored 'General case' 0 CA--C 1.581 2.168 0 O-C-N 118.07 -2.894 . . . . 0.0 112.397 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.3 mt -136.46 132.59 35.58 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-N 121.531 1.969 . . . . 0.0 113.438 -166.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -92.78 77.82 4.82 Favored 'General case' 0 N--CA 1.395 -3.221 0 C-N-CA 128.612 2.765 . . . . 0.0 111.483 -174.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.9 t -153.14 159.15 42.68 Favored 'General case' 0 CA--C 1.558 1.268 0 CA-C-N 111.894 -2.412 . . . . 0.0 115.446 -178.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.9 p -74.71 127.31 32.83 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-O 114.333 -2.746 . . . . 0.0 110.893 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -40.63 -42.45 1.71 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 128.901 2.88 . . . . 0.0 108.282 170.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.17 -46.27 54.07 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 129.199 2.999 . . . . 0.0 116.307 170.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -69.29 -35.19 75.76 Favored 'General case' 0 C--N 1.282 -2.331 0 CA-C-N 121.326 1.876 . . . . 0.0 110.66 176.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.0 t -68.75 -36.58 74.96 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.289 0 O-C-N 117.78 -3.075 . . . . 0.0 111.217 177.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.41 ' O ' ' HB2' ' A' ' 55' ' ' CYS . 82.0 t -62.28 -47.29 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 125.239 1.587 . . . . 0.0 114.988 161.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . 0.301 21.6 t-20 -52.03 -36.68 50.95 Favored 'General case' 0 CA--C 1.585 2.308 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 165.621 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.1 t -72.36 -36.85 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.993 0 O-C-N 119.468 -2.02 . . . . 0.0 111.943 176.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 63.3 m -56.72 -10.25 0.98 Allowed 'General case' 0 CA--C 1.592 2.591 0 N-CA-C 117.439 2.385 . . . . 0.0 117.439 157.501 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.15 -26.31 19.14 Favored Glycine 1 CA--C 1.583 4.285 0 CA-C-O 126.785 3.436 . . . . 0.0 110.296 176.377 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -62.13 164.16 7.19 Favored 'General case' 0 N--CA 1.506 2.354 0 N-CA-C 118.798 2.888 . . . . 0.0 118.798 170.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -34.32 136.64 0.13 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 128.312 2.645 . . . . 0.0 113.6 174.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 m -73.93 131.32 41.33 Favored 'General case' 0 N--CA 1.525 3.299 0 CA-C-O 117.12 -1.419 . . . . 0.0 112.921 174.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.56 HG13 ' SG ' ' A' ' 71' ' ' CYS . 20.9 pt -136.98 -162.65 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.251 1.183 0 O-C-N 124.456 1.097 . . . . 0.0 108.923 174.143 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -147.46 153.07 39.11 Favored 'General case' 0 N--CA 1.517 2.893 0 C-N-CA 119.517 -0.873 . . . . 0.0 109.539 -175.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 68.0 m -143.88 153.36 57.32 Favored Pre-proline 0 CA--C 1.607 3.146 0 CA-C-O 116.015 -1.945 . . . . 0.0 109.887 -151.075 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -54.09 -8.88 1.13 Allowed 'Trans proline' 0 C--O 1.244 0.777 1 N-CA-C 122.965 4.179 . . . . 0.0 122.965 177.362 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 53.1 m80 -132.86 27.03 4.3 Favored 'General case' 0 CA--C 1.599 2.839 0 CA-C-O 116.466 -1.73 . . . . 0.0 109.817 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -130.49 -5.51 4.21 Favored 'General case' 0 N--CA 1.515 2.794 0 N-CA-C 116.5 2.037 . . . . 0.0 116.5 -168.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.3 ptt-85 -46.07 -17.16 0.03 OUTLIER 'General case' 0 C--N 1.39 2.338 0 O-C-N 119.585 -1.947 . . . . 0.0 116.161 170.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -43.59 -36.1 1.98 Allowed 'General case' 0 N--CA 1.422 -1.839 0 O-C-N 116.937 -3.602 . . . . 0.0 114.95 155.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -150.17 3.32 0.51 Allowed 'General case' 0 N--CA 1.513 2.682 0 CA-C-N 124.576 3.353 . . . . 0.0 113.558 173.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 44.08 47.19 7.37 Favored 'General case' 0 C--O 1.284 2.885 0 C-N-CA 127.432 2.293 . . . . 0.0 114.203 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -134.36 117.91 16.87 Favored 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 125.029 1.331 . . . . 0.0 112.265 166.201 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.56 ' SG ' HG13 ' A' ' 60' ' ' ILE . 31.3 p -145.2 -178.16 5.92 Favored 'General case' 0 C--N 1.31 -1.14 0 C-N-CA 129.104 2.961 . . . . 0.0 108.336 175.395 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.49 ' O ' HG13 ' A' ' 108' ' ' VAL . 96.6 m-70 -148.75 168.92 21.64 Favored 'General case' 0 CA--C 1.446 -3.039 0 C-N-CA 126.138 1.775 . . . . 0.0 112.772 -174.366 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 29.9 ptt85 -146.33 151.93 38.31 Favored 'General case' 0 N--CA 1.503 2.177 0 CA-C-N 114.08 -1.418 . . . . 0.0 110.474 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 67.8 p -63.77 155.69 29.51 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 126.361 2.288 . . . . 0.0 113.728 -170.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.6 mtt-85 -85.1 -38.03 19.58 Favored 'General case' 0 C--O 1.257 1.456 0 C-N-CA 125.668 1.587 . . . . 0.0 114.263 174.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -142.61 152.06 42.12 Favored 'General case' 0 CA--C 1.574 1.902 1 C-N-CA 132.328 4.251 . . . . 0.0 108.738 -176.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -73.09 167.6 20.8 Favored 'General case' 0 C--O 1.214 -0.776 0 N-CA-C 118.742 2.867 . . . . 0.0 118.742 178.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.2 m -135.85 148.03 63.53 Favored Pre-proline 0 C--N 1.379 1.884 0 CA-C-O 115.873 -2.013 . . . . 0.0 110.137 175.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -60.96 141.02 93.24 Favored 'Trans proline' 0 CA--C 1.511 -0.674 0 O-C-N 128.614 3.955 . . . . 0.0 109.741 168.114 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 pp -140.45 160.93 38.92 Favored 'General case' 0 CA--C 1.503 -0.852 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 34.6 tp -117.26 124.99 50.38 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 129.848 3.259 . . . . 0.0 110.139 174.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -117.61 138.13 52.16 Favored 'General case' 0 CA--C 1.595 2.707 0 C-N-CA 127.132 2.173 . . . . 0.0 106.424 176.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 97.2 m -114.44 160.33 19.3 Favored 'General case' 0 C--N 1.291 -1.944 0 CA-C-N 113.067 -1.878 . . . . 0.0 110.736 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -158.22 115.56 2.91 Favored 'General case' 0 N--CA 1.505 2.3 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 -156.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 24.0 tp -86.87 129.86 34.7 Favored 'General case' 0 C--N 1.37 1.461 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -177.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.288 35.8 pt -43.8 -41.6 1.62 Allowed 'Isoleucine or valine' 0 C--O 1.283 2.83 0 N-CA-C 119.405 3.113 . . . . 0.0 119.405 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -139.59 109.36 7.3 Favored Pre-proline 0 C--O 1.21 -0.996 0 C-N-CA 131.517 3.927 . . . . 0.0 113.292 177.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -42.09 -24.32 0.31 Allowed 'Trans proline' 0 CA--C 1.57 2.277 1 C-N-CA 128.587 6.191 . . . . 0.0 120.976 166.395 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -93.19 12.58 69.53 Favored Glycine 0 CA--C 1.565 3.208 0 O-C-N 124.997 1.436 . . . . 0.0 111.806 -176.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -99.25 146.96 25.65 Favored 'General case' 0 N--CA 1.506 2.373 0 O-C-N 118.443 -2.798 . . . . 0.0 110.27 176.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -134.91 -16.07 1.98 Allowed 'General case' 0 CA--C 1.58 2.103 0 O-C-N 117.782 -3.074 . . . . 0.0 108.733 -156.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -114.2 136.23 53.18 Favored 'General case' 0 CA--C 1.588 2.435 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -164.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 9.0 pt -45.91 -46.05 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.132 0 O-C-N 117.532 -3.23 . . . . 0.0 117.756 174.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.5 m -81.58 13.86 2.87 Favored 'General case' 0 C--O 1.276 2.478 0 C-N-CA 128.095 2.558 . . . . 0.0 113.78 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -136.55 -36.56 0.71 Allowed 'General case' 0 C--N 1.37 1.481 0 CA-C-O 114.274 -2.774 . . . . 0.0 107.81 174.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 56.2 m -66.58 141.28 57.89 Favored 'General case' 0 N--CA 1.413 -2.295 0 CA-C-N 123.848 3.022 . . . . 0.0 111.604 175.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -149.83 157.44 43.2 Favored 'General case' 0 N--CA 1.432 -1.33 0 C-N-CA 130.185 3.394 . . . . 0.0 112.655 178.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -139.71 156.01 47.04 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 115.887 1.81 . . . . 0.0 115.887 -163.113 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -122.54 153.81 38.73 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 116.867 -1.54 . . . . 0.0 112.667 172.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.522 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -80.75 146.98 30.73 Favored 'General case' 0 N--CA 1.524 3.234 0 CA-C-N 119.876 1.216 . . . . 0.0 111.348 177.538 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -141.36 75.23 23.2 Favored Pre-proline 0 N--CA 1.424 -1.743 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 160.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . 0.466 13.0 Cg_endo -51.65 143.94 35.44 Favored 'Trans proline' 0 CA--C 1.556 1.579 1 C-N-CA 128.994 6.463 . . . . 0.0 114.175 167.769 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -160.28 -176.14 32.04 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 107.239 -2.344 . . . . 0.0 107.239 -165.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -155.17 119.9 4.8 Favored 'General case' 1 N--CA 1.543 4.211 0 CA-C-N 113.616 -1.292 . . . . 0.0 108.359 163.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 73.2 mtm-85 -137.76 175.98 9.11 Favored 'General case' 0 C--O 1.257 1.485 0 C-N-CA 126.607 1.963 . . . . 0.0 111.982 178.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -87.93 167.67 13.53 Favored 'General case' 0 C--N 1.376 1.719 0 N-CA-C 106.779 -1.563 . . . . 0.0 106.779 167.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -148.25 166.87 26.66 Favored 'General case' 0 C--O 1.247 0.937 0 O-C-N 120.33 -1.481 . . . . 0.0 114.73 -176.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 72' ' ' HIS . 42.6 t -134.43 143.96 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.301 0 C-N-CA 126.26 1.824 . . . . 0.0 106.975 -173.46 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 10.0 m -141.25 164.58 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.469 -178.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -121.09 153.76 37.02 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 102.047 -3.316 . . . . 0.0 102.047 161.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 77.7 m -139.95 158.24 44.39 Favored 'General case' 0 C--O 1.193 -1.899 0 C-N-CA 126.85 2.06 . . . . 0.0 113.728 -161.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -138.63 173.97 11.03 Favored 'General case' 0 CA--C 1.548 0.865 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 176.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -69.62 158.99 34.25 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 116.918 -3.614 . . . . 0.0 110.863 169.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -66.36 174.55 2.63 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 116.874 2.176 . . . . 0.0 116.874 -175.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -116.16 134.55 22.77 Favored Pre-proline 0 CA--C 1.561 1.369 0 CA-C-N 113.156 -1.838 . . . . 0.0 113.326 164.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -47.45 -13.26 0.15 Allowed 'Trans proline' 1 N--CA 1.542 4.346 1 N-CA-C 122.509 4.003 . . . . 0.0 122.509 177.483 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . 0.269 67.1 mtt85 -133.45 16.27 4.04 Favored 'General case' 0 C--O 1.187 -2.189 0 C-N-CA 126.966 2.106 . . . . 0.0 114.203 -172.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -140.29 145.96 37.94 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-N 112.162 -2.29 . . . . 0.0 114.515 174.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . 0.273 3.5 m 39.28 56.52 6.02 Favored Pre-proline 0 N--CA 1.492 1.642 0 C-N-CA 128.032 2.533 . . . . 0.0 112.694 -177.536 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -55.46 -20.86 27.9 Favored 'Trans proline' 0 C--N 1.381 2.269 1 C-N-CA 127.647 5.565 . . . . 0.0 116.352 -171.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 33.8 ttt85 -67.89 -17.31 64.44 Favored 'General case' 0 CA--C 1.593 2.63 0 CA-C-O 115.146 -2.359 . . . . 0.0 115.996 175.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -126.68 148.81 66.31 Favored Pre-proline 0 N--CA 1.527 3.384 0 CA-C-N 121.077 1.762 . . . . 0.0 113.918 -164.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -78.65 -24.19 7.63 Favored 'Trans proline' 0 CA--C 1.567 2.14 0 CA-C-N 121.378 1.528 . . . . 0.0 114.251 174.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 29.8 m -137.36 160.18 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 CA-C-O 124.614 2.15 . . . . 0.0 110.097 -177.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 4.0 m -126.37 149.25 66.84 Favored Pre-proline 0 C--O 1.29 3.209 0 O-C-N 117.37 -3.331 . . . . 0.0 116.947 171.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -73.16 147.32 42.38 Favored 'Trans proline' 0 C--N 1.3 -2.019 1 C-N-CA 128.109 5.872 . . . . 0.0 110.561 164.357 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.4 m -137.7 -14.35 0.59 Allowed 'Isoleucine or valine' 1 N--CA 1.54 4.027 0 N-CA-C 115.547 1.684 . . . . 0.0 115.547 -174.308 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -161.75 126.42 3.4 Favored 'General case' 0 N--CA 1.51 2.539 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 172.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 8.5 tp -76.32 117.72 18.28 Favored 'General case' 0 C--O 1.187 -2.219 0 C-N-CA 128.858 2.863 . . . . 0.0 103.548 172.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -86.36 -47.53 9.27 Favored 'General case' 0 C--N 1.287 -2.146 0 N-CA-C 116.882 2.179 . . . . 0.0 116.882 174.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 5.2 t -161.91 173.42 14.52 Favored 'General case' 0 C--O 1.205 -1.239 0 CA-C-N 122.385 2.357 . . . . 0.0 113.652 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 64.5 p -126.96 158.74 36.05 Favored 'General case' 0 CA--C 1.491 -1.29 0 O-C-N 126.699 2.5 . . . . 0.0 107.655 169.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.265 0.2 OUTLIER . . . . . 0 N--CA 1.512 2.664 0 CA-C-O 114.309 -2.758 . . . . 0.0 112.101 -173.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.4 mtp85 . . . . . 0 C--O 1.243 0.736 0 N-CA-C 103.725 -2.694 . . . . 0.0 103.725 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -54.2 163.77 3.17 Favored 'Trans proline' 0 CA--C 1.576 2.621 0 O-C-N 127.662 3.454 . . . . 0.0 115.263 155.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -53.37 -33.15 65.18 Favored 'Trans proline' 0 C--O 1.288 2.992 1 C-N-CA 128.119 5.879 . . . . 0.0 112.139 -168.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -128.73 1.99 5.46 Favored 'General case' 0 CA--C 1.616 3.513 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -173.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.403 ' CZ ' HD13 ' A' ' 13' ' ' ILE . 11.0 m-85 -160.57 170.34 21.08 Favored 'General case' 0 C--N 1.359 0.982 0 O-C-N 117.912 -2.993 . . . . 0.0 111.712 -174.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.0 p -68.3 165.97 17.47 Favored 'General case' 0 C--N 1.291 -1.944 0 O-C-N 126.491 2.369 . . . . 0.0 111.828 161.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -60.71 -56.83 16.54 Favored 'General case' 0 C--N 1.37 1.477 0 O-C-N 119.483 -2.011 . . . . 0.0 107.439 172.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.62 -39.62 68.11 Favored 'General case' 0 CA--C 1.592 2.566 0 N-CA-C 115.749 1.759 . . . . 0.0 115.749 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -68.41 -43.65 76.75 Favored 'General case' 0 N--CA 1.508 2.471 0 C-N-CA 118.314 -1.354 . . . . 0.0 110.663 174.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.25 51.5 t-105 -59.81 -41.54 91.48 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-O 122.346 1.07 . . . . 0.0 109.192 -177.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -57.39 -40.3 77.95 Favored 'General case' 0 C--O 1.265 1.873 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 171.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.57 -50.45 51.64 Favored 'General case' 0 CA--C 1.561 1.381 0 C-N-CA 127.19 2.196 . . . . 0.0 110.552 175.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.403 HD13 ' CZ ' ' A' ' 5' ' ' PHE . 61.4 mt -56.61 -30.52 32.13 Favored 'Isoleucine or valine' 0 C--O 1.26 1.618 0 CA-C-O 113.449 -3.167 . . . . 0.0 110.267 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -86.63 -42.67 13.25 Favored 'General case' 0 N--CA 1.397 -3.114 0 C-N-CA 131.381 3.872 . . . . 0.0 106.952 -178.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -132.73 -7.21 3.19 Favored 'General case' 0 C--N 1.403 2.927 0 N-CA-C 116.937 2.199 . . . . 0.0 116.937 -158.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.5 mm -119.82 112.15 35.72 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.241 0 CA-C-N 121.947 2.158 . . . . 0.0 106.86 -173.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.1 m -158.29 90.27 1.03 Allowed 'General case' 1 N--CA 1.551 4.591 0 N-CA-C 104.78 -2.304 . . . . 0.0 104.78 -152.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.0 tp -71.02 -32.98 69.9 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-O 115.945 -1.979 . . . . 0.0 111.943 -174.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -147.95 69.67 10.98 Favored Pre-proline 0 C--N 1.279 -2.494 0 C-N-CA 125.673 1.589 . . . . 0.0 107.764 -173.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -69.55 167.12 25.09 Favored 'Trans proline' 0 N--CA 1.501 1.966 0 C-N-CA 122.4 2.066 . . . . 0.0 113.687 -172.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -80.06 173.14 13.02 Favored 'Trans proline' 0 C--O 1.21 -0.89 0 C-N-CA 122.881 2.387 . . . . 0.0 114.626 155.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.4 mmt85 -65.53 146.07 55.31 Favored 'General case' 0 CA--C 1.583 2.215 0 C-N-CA 128.844 2.857 . . . . 0.0 110.442 172.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.552 ' SG ' ' HA ' ' A' ' 100' ' ' ASP . 35.5 m -43.23 -43.98 5.04 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 129.085 2.954 . . . . 0.0 116.958 -173.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.6 p -51.04 -29.15 11.89 Favored 'General case' 0 N--CA 1.519 3.016 0 C-N-CA 127.282 2.233 . . . . 0.0 116.236 172.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 mm -91.22 -49.56 13.31 Favored 'Isoleucine or valine' 0 C--N 1.379 1.89 0 C-N-CA 128.568 2.747 . . . . 0.0 112.753 167.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.29 -36.03 74.83 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 125.424 1.703 . . . . 0.0 112.85 -169.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 42.1 mmm -58.92 -32.29 69.42 Favored 'General case' 0 CA--C 1.572 1.805 0 C-N-CA 128.05 2.54 . . . . 0.0 114.635 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.3 35.1 mtt180 -51.37 -27.89 11.1 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 127.163 2.185 . . . . 0.0 115.906 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.87 -3.0 2.94 Favored 'General case' 0 N--CA 1.421 -1.877 0 N-CA-C 117.374 2.361 . . . . 0.0 117.374 176.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.4 pt -143.96 -39.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.386 2.158 0 O-C-N 120.362 -1.461 . . . . 0.0 111.571 165.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -69.23 -27.48 65.51 Favored 'General case' 0 CA--C 1.561 1.4 0 O-C-N 117.786 -3.072 . . . . 0.0 112.641 -171.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -97.55 23.55 7.6 Favored 'General case' 0 N--CA 1.529 3.522 0 C-N-CA 127.038 2.135 . . . . 0.0 112.488 167.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -134.06 -20.35 1.94 Allowed 'General case' 0 CA--C 1.577 2.006 0 O-C-N 124.701 1.251 . . . . 0.0 114.27 173.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -108.65 155.6 20.51 Favored 'General case' 0 CA--C 1.484 -1.57 0 C-N-CA 128.169 2.587 . . . . 0.0 113.592 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -18.06 42.04 Favored 'General case' 0 C--O 1.265 1.872 0 N-CA-C 119.916 3.302 . . . . 0.0 119.916 -166.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -139.86 157.38 45.81 Favored 'General case' 0 N--CA 1.489 1.49 1 C-N-CA 132.232 4.213 . . . . 0.0 113.211 173.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 78.8 m -58.39 120.61 9.07 Favored 'General case' 0 N--CA 1.412 -2.346 0 N-CA-C 117.306 2.336 . . . . 0.0 117.306 159.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.86 ' HE2' ' HN ' ' A' ' 203' ' ' SGN . 19.9 tttt -77.64 133.52 38.39 Favored 'General case' 0 C--N 1.367 1.358 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 162.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . 0.266 9.1 t-20 -57.29 -42.1 81.08 Favored 'General case' 0 C--N 1.28 -2.447 0 C-N-CA 126.69 1.996 . . . . 0.0 113.051 -175.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -138.1 141.16 40.23 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 117.871 -3.018 . . . . 0.0 104.785 -163.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -148.64 163.25 37.83 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 116.898 2.184 . . . . 0.0 116.898 161.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.2 m -135.36 135.64 40.87 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 122.9 1.333 . . . . 0.0 109.295 -166.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -143.28 93.95 2.55 Favored 'General case' 0 C--O 1.262 1.726 0 CA-C-O 124.519 2.104 . . . . 0.0 106.783 -160.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.3 mt -71.22 116.93 12.1 Favored 'General case' 1 CA--C 1.631 4.067 0 O-C-N 117.86 -3.025 . . . . 0.0 116.984 -178.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -70.54 62.66 0.25 Allowed 'General case' 0 CA--C 1.581 2.167 0 CA-C-O 124.267 1.984 . . . . 0.0 108.263 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.1 t -138.94 166.84 23.42 Favored 'General case' 0 N--CA 1.525 3.316 0 C-N-CA 125.609 1.564 . . . . 0.0 113.488 172.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . 0.325 10.1 p -84.09 137.77 33.39 Favored 'General case' 0 N--CA 1.519 2.987 1 C-N-CA 132.731 4.412 . . . . 0.0 117.364 174.574 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -57.46 -33.42 67.95 Favored 'General case' 0 C--N 1.38 1.907 0 N-CA-C 117.816 2.524 . . . . 0.0 117.816 -177.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.77 -43.99 27.95 Favored 'General case' 0 N--CA 1.446 -0.656 1 CA-C-O 111.528 -4.082 . . . . 0.0 115.591 172.14 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -62.94 -43.57 98.42 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 127.304 2.877 . . . . 0.0 111.145 171.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . 0.294 2.7 t -66.79 -37.84 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 CA-C-N 113.842 -1.526 . . . . 0.0 109.317 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 42.5 t -62.43 -32.87 56.55 Favored 'Isoleucine or valine' 0 C--O 1.256 1.447 0 N-CA-C 117.617 2.451 . . . . 0.0 117.617 169.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -67.39 -33.78 75.9 Favored 'General case' 0 C--O 1.202 -1.415 0 CA-C-O 116.003 -1.951 . . . . 0.0 110.123 168.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 51.8 t -75.3 -21.38 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.4 -2.945 0 CA-C-N 123.388 2.813 . . . . 0.0 110.57 -176.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 55.2 m -86.96 25.5 1.3 Allowed 'General case' 0 N--CA 1.4 -2.933 0 C-N-CA 125.555 1.542 . . . . 0.0 113.204 162.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.35 14.19 2.99 Favored Glycine 0 CA--C 1.545 1.961 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 163.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -79.72 171.19 15.46 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 120.674 2.237 . . . . 0.0 105.33 170.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -53.53 137.9 35.31 Favored 'General case' 0 C--O 1.283 2.866 0 O-C-N 126.347 2.279 . . . . 0.0 112.489 173.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 62.3 m -69.18 124.57 24.15 Favored 'General case' 0 N--CA 1.532 3.644 0 CA-C-O 123.204 1.478 . . . . 0.0 114.853 175.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.6 pt -118.73 -168.15 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.36 0 CA-C-O 123.012 1.386 . . . . 0.0 107.44 169.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -140.02 158.33 44.24 Favored 'General case' 0 C--N 1.371 1.53 0 N-CA-C 115.678 1.733 . . . . 0.0 115.678 177.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 49.0 m -128.24 169.44 12.69 Favored Pre-proline 0 C--N 1.391 2.406 0 O-C-N 119.65 -1.906 . . . . 0.0 109.657 -163.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -51.4 -38.93 64.2 Favored 'Trans proline' 0 N--CA 1.491 1.331 1 C-N-CA 127.015 5.143 . . . . 0.0 113.623 -177.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -134.67 71.31 1.44 Allowed 'General case' 0 C--N 1.386 2.182 0 N-CA-C 104.571 -2.381 . . . . 0.0 104.571 -166.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -142.48 3.64 1.51 Allowed 'General case' 0 CA--C 1.559 1.326 0 C-N-CA 125.061 1.344 . . . . 0.0 114.598 -157.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -64.51 -23.52 67.3 Favored 'General case' 0 CA--C 1.574 1.866 0 O-C-N 118.75 -2.469 . . . . 0.0 116.267 -172.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 48.3 p -80.63 7.2 10.63 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 124.091 0.869 . . . . 0.0 112.025 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.321 1.9 pt? -143.24 -20.74 0.62 Allowed 'General case' 0 CA--C 1.618 3.58 0 C-N-CA 117.962 -1.495 . . . . 0.0 112.198 164.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.3 t30 39.63 40.78 0.68 Allowed 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 120.162 3.393 . . . . 0.0 120.162 -159.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -152.85 121.38 6.37 Favored 'General case' 0 N--CA 1.408 -2.556 0 C-N-CA 126.949 2.1 . . . . 0.0 107.706 -170.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 31.2 p -147.18 174.13 11.88 Favored 'General case' 0 CA--C 1.568 1.635 1 C-N-CA 134.087 4.955 . . . . 0.0 109.502 169.175 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -151.41 155.69 39.15 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -113.93 154.44 27.56 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 125.277 1.611 . . . . 0.0 106.778 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.1 p -71.38 140.94 50.34 Favored 'General case' 0 N--CA 1.384 -3.738 0 O-C-N 128.323 3.514 . . . . 0.0 110.839 -178.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -80.26 -21.61 42.57 Favored 'General case' 0 C--O 1.283 2.857 0 CA-C-O 115.742 -2.075 . . . . 0.0 112.295 -173.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -141.67 167.91 21.03 Favored 'General case' 0 C--O 1.277 2.544 0 N-CA-C 105.033 -2.21 . . . . 0.0 105.033 172.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -75.4 154.75 36.98 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 117.741 -3.1 . . . . 0.0 111.874 -171.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.8 m -135.51 153.28 77.59 Favored Pre-proline 0 C--O 1.274 2.36 0 CA-C-O 118.795 -0.622 . . . . 0.0 111.542 166.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . 0.252 61.2 Cg_endo -62.98 168.03 11.27 Favored 'Trans proline' 0 CA--C 1.546 1.125 0 C-N-CA 124.315 3.343 . . . . 0.0 110.347 170.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -163.05 -177.83 5.68 Favored 'General case' 0 C--O 1.186 -2.246 1 O-C-N 112.245 -6.534 . . . . 0.0 117.638 174.174 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.5 tp -137.9 148.36 45.26 Favored 'General case' 0 C--O 1.194 -1.83 0 CA-C-N 112.978 -1.919 . . . . 0.0 112.347 167.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . 0.265 12.2 t60 -125.88 150.3 48.01 Favored 'General case' 0 C--O 1.263 1.799 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 173.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 77.9 m -131.09 153.61 49.14 Favored 'General case' 0 C--O 1.25 1.088 0 C-N-CA 127.05 2.14 . . . . 0.0 109.439 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -145.64 109.52 4.82 Favored 'General case' 0 CA--C 1.602 2.947 0 C-N-CA 128.541 2.736 . . . . 0.0 113.161 -161.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 16.6 tp -65.27 104.67 0.97 Allowed 'General case' 0 CA--C 1.569 1.701 0 C-N-CA 126.419 1.888 . . . . 0.0 110.818 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.301 0.3 OUTLIER -74.44 -13.2 15.53 Favored 'Isoleucine or valine' 0 C--N 1.395 2.579 0 O-C-N 119.337 -2.102 . . . . 0.0 114.674 -162.732 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -140.4 97.76 7.48 Favored Pre-proline 0 C--N 1.37 1.489 0 C-N-CA 129.023 2.929 . . . . 0.0 107.277 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -48.85 -9.5 0.09 OUTLIER 'Trans proline' 0 N--CA 1.498 1.792 1 C-N-CA 128.851 6.368 . . . . 0.0 115.927 172.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -88.56 -15.83 59.47 Favored Glycine 1 CA--C 1.579 4.063 0 CA-C-N 122.43 2.377 . . . . 0.0 111.579 -177.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.4 ' HB1' ' SG ' ' A' ' 96' ' ' CYS . . . -69.43 135.05 49.72 Favored 'General case' 0 N--CA 1.436 -1.167 1 O-C-N 114.961 -4.846 . . . . 0.0 107.326 168.724 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -119.9 -6.62 10.04 Favored 'General case' 0 C--O 1.267 1.999 0 CA-C-N 111.338 -2.664 . . . . 0.0 113.559 172.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -142.89 159.97 41.22 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 125.416 2.531 . . . . 0.0 113.845 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.6 pt -67.11 -8.43 7.96 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.227 1 O-C-N 116.183 -4.073 . . . . 0.0 119.064 -171.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 55.1 p -78.35 -13.39 59.87 Favored 'General case' 0 C--O 1.25 1.131 0 C-N-CA 127.549 2.34 . . . . 0.0 112.292 171.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -142.84 -20.37 0.66 Allowed 'General case' 0 N--CA 1.416 -2.14 0 N-CA-C 118.562 2.801 . . . . 0.0 118.562 -175.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.4 ' SG ' ' HB1' ' A' ' 90' ' ' ALA . 82.6 m -67.72 137.95 55.88 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.781 0.8 . . . . 0.0 109.302 175.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -145.54 138.19 25.89 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 128.686 2.794 . . . . 0.0 107.856 -162.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.268 27.1 m-85 -135.81 -177.14 4.55 Favored 'General case' 0 C--N 1.353 0.719 0 O-C-N 120.267 -1.52 . . . . 0.0 109.625 -168.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -155.41 165.19 37.39 Favored 'General case' 0 CA--C 1.583 2.232 0 C-N-CA 130.915 3.686 . . . . 0.0 113.805 167.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.552 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 5.4 m-20 -93.31 148.5 21.99 Favored 'General case' 0 C--N 1.382 2.02 0 O-C-N 117.888 -3.008 . . . . 0.0 112.656 -169.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -143.9 84.77 9.5 Favored Pre-proline 0 N--CA 1.538 3.931 0 O-C-N 127.28 2.863 . . . . 0.0 117.128 171.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -79.87 157.74 24.22 Favored 'Trans proline' 0 N--CA 1.415 -3.119 1 C-N-CA 125.495 4.13 . . . . 0.0 112.181 -175.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -172.91 161.77 33.09 Favored Glycine 0 CA--C 1.573 3.662 0 O-C-N 126.952 2.658 . . . . 0.0 114.851 -162.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -138.11 112.7 8.85 Favored 'General case' 0 N--CA 1.518 2.957 0 CA-C-O 127.508 3.527 . . . . 0.0 116.693 171.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 81.9 mtm-85 -148.87 164.22 35.13 Favored 'General case' 0 C--O 1.177 -2.72 0 CA-C-N 112.524 -2.126 . . . . 0.0 112.535 -164.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -76.98 174.2 10.89 Favored 'General case' 0 CA--C 1.576 1.952 0 CA-C-O 116.24 -1.838 . . . . 0.0 109.147 168.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -144.06 163.72 32.72 Favored 'General case' 0 CA--C 1.572 1.79 0 CA-C-O 124.345 2.022 . . . . 0.0 107.747 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.5 t -131.59 126.63 58.14 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.17 0 O-C-N 117.343 -3.348 . . . . 0.0 114.24 -176.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.9 m -137.4 158.34 34.98 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.683 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -168.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -117.96 165.27 13.91 Favored 'General case' 0 C--O 1.255 1.343 0 O-C-N 119.351 -2.093 . . . . 0.0 107.494 174.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 3.3 m -158.91 151.62 21.92 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.507 -158.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -157.33 -178.09 7.09 Favored 'General case' 0 N--CA 1.405 -2.702 0 O-C-N 119.005 -2.309 . . . . 0.0 105.596 -175.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -48.4 159.81 0.19 Allowed 'General case' 0 CA--C 1.587 2.369 0 N-CA-C 118.562 2.801 . . . . 0.0 118.562 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -58.19 169.67 0.8 Allowed 'General case' 0 CA--C 1.609 3.213 0 C-N-CA 124.709 1.204 . . . . 0.0 113.823 161.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -99.13 136.16 20.6 Favored Pre-proline 0 N--CA 1.515 2.79 0 C-N-CA 126.762 2.025 . . . . 0.0 109.341 176.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -48.65 -28.49 12.53 Favored 'Trans proline' 0 C--N 1.367 1.544 0 N-CA-C 117.426 2.048 . . . . 0.0 117.426 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 38.2 mtm105 -121.14 16.41 11.55 Favored 'General case' 0 N--CA 1.517 2.918 0 CA-C-O 116.235 -1.841 . . . . 0.0 107.102 -171.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -139.8 134.47 31.83 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 125.543 3.792 . . . . 0.0 113.56 173.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.9 m 38.95 58.17 5.77 Favored Pre-proline 0 N--CA 1.496 1.839 0 N-CA-C 117.83 2.53 . . . . 0.0 117.83 167.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -54.1 -27.94 48.5 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 123.747 2.965 . . . . 0.0 115.678 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 49.6 tpt85 -43.11 -20.48 0.02 OUTLIER 'General case' 0 C--N 1.356 0.883 0 N-CA-C 117.554 2.428 . . . . 0.0 117.554 -177.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -125.14 110.79 26.8 Favored Pre-proline 0 CA--C 1.573 1.828 0 N-CA-C 105.084 -2.191 . . . . 0.0 105.084 -171.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -67.73 -23.34 42.23 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.988 2.459 . . . . 0.0 113.574 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -141.46 138.55 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 CA-C-N 121.625 2.011 . . . . 0.0 106.192 -174.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 23.2 m -137.25 148.86 63.92 Favored Pre-proline 0 C--O 1.255 1.347 0 C-N-CA 127.494 2.317 . . . . 0.0 109.644 -170.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -66.79 161.2 43.06 Favored 'Trans proline' 0 C--N 1.407 3.62 0 C-N-CA 124.098 3.199 . . . . 0.0 113.875 173.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 33.7 m -162.93 -7.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.51 2.568 0 CA-C-O 116.295 -1.812 . . . . 0.0 113.763 -166.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 40.8 t60 -159.51 172.31 18.1 Favored 'General case' 0 C--N 1.367 1.328 0 CA-C-N 122.372 2.351 . . . . 0.0 110.751 171.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 57.8 tp -132.03 131.37 42.42 Favored 'General case' 0 CA--C 1.585 2.308 0 C-N-CA 127.975 2.51 . . . . 0.0 114.435 -175.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -110.76 -51.8 2.84 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 119.348 -2.095 . . . . 0.0 113.805 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 10.0 t -166.14 177.96 6.62 Favored 'General case' 0 CA--C 1.574 1.888 0 CA-C-N 121.379 1.9 . . . . 0.0 113.484 177.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 81.7 p -137.1 148.16 46.52 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 125.331 1.453 . . . . 0.0 113.206 172.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.586 2.343 0 CA-C-O 114.597 -2.62 . . . . 0.0 108.936 -166.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 203' ' ' SGN . . . . . 0.86 ' HN ' ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.5 mtp85 . . . . . 0 CA--C 1.574 1.877 0 CA-C-O 115.576 -2.154 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -43.95 158.09 0.13 Allowed 'Trans proline' 0 N--CA 1.521 3.095 0 N-CA-C 121.135 3.475 . . . . 0.0 121.135 148.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -52.92 -25.31 27.31 Favored 'Trans proline' 0 C--N 1.378 2.12 0 N-CA-C 120.312 3.159 . . . . 0.0 120.312 -174.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -130.64 -14.04 3.68 Favored 'General case' 0 C--N 1.359 0.979 0 CA-C-N 121.956 2.162 . . . . 0.0 113.787 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -142.68 178.41 7.65 Favored 'General case' 0 C--O 1.188 -2.134 0 CA-C-O 126.022 2.82 . . . . 0.0 110.5 -177.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.0 p -84.16 162.92 20.06 Favored 'General case' 0 C--N 1.368 1.407 0 O-C-N 118.623 -2.548 . . . . 0.0 108.188 168.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -61.33 -44.34 97.35 Favored 'General case' 0 N--CA 1.53 3.555 0 CA-C-N 119.32 0.964 . . . . 0.0 111.416 -170.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.01 -34.04 70.96 Favored 'General case' 0 CA--C 1.579 2.071 0 N-CA-C 117.55 2.426 . . . . 0.0 117.55 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -56.77 -44.49 81.86 Favored 'General case' 0 CA--C 1.554 1.108 0 O-C-N 124.957 1.411 . . . . 0.0 111.16 161.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -69.91 -29.62 66.84 Favored 'General case' 0 CA--C 1.593 2.633 0 CA-C-N 122.797 2.544 . . . . 0.0 114.422 173.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -65.57 -45.17 84.34 Favored 'General case' 0 N--CA 1.52 3.059 0 CA-C-N 119.908 1.231 . . . . 0.0 113.168 167.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.45 -59.04 6.09 Favored 'General case' 0 CA--C 1.598 2.824 0 C-N-CA 131.092 3.757 . . . . 0.0 109.597 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.3 mt -44.61 -52.4 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.615 3.472 0 CA-C-N 120.44 1.473 . . . . 0.0 110.397 168.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -73.81 -12.55 60.72 Favored 'General case' 0 C--N 1.392 2.429 0 CA-C-N 120.735 1.607 . . . . 0.0 110.019 -169.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -142.64 -13.5 0.76 Allowed 'General case' 0 CA--C 1.584 2.285 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 -164.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.0 mm -131.42 103.12 6.81 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.297 0 O-C-N 116.366 -3.959 . . . . 0.0 105.03 -158.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.9 m -154.84 118.18 4.49 Favored 'General case' 0 C--N 1.382 1.982 0 CA-C-N 114.381 -1.281 . . . . 0.0 109.036 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.5 tp -63.76 -36.94 85.52 Favored 'General case' 0 C--O 1.253 1.256 0 O-C-N 127.58 3.05 . . . . 0.0 110.868 -177.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -144.55 63.45 10.82 Favored Pre-proline 0 N--CA 1.418 -2.057 0 C-N-CA 125.634 1.573 . . . . 0.0 113.244 -172.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -45.63 162.78 0.1 OUTLIER 'Trans proline' 0 CA--C 1.589 3.226 0 O-C-N 126.756 2.977 . . . . 0.0 114.665 174.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -84.25 -174.45 1.84 Allowed 'Trans proline' 0 CA--C 1.493 -1.53 0 C-N-CA 123.574 2.849 . . . . 0.0 112.569 160.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.6 mmt-85 -54.85 137.64 44.71 Favored 'General case' 0 C--O 1.199 -1.575 0 CA-C-O 117.511 -1.233 . . . . 0.0 112.031 161.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 20.9 m -43.27 -35.47 1.48 Allowed 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 117.79 2.515 . . . . 0.0 117.79 172.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.8 p -61.55 -27.86 68.92 Favored 'General case' 0 C--O 1.257 1.474 0 CA-C-O 117.021 -1.466 . . . . 0.0 113.321 176.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.9 mm -85.82 -40.91 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.664 1.585 . . . . 0.0 113.018 170.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.36 -40.53 85.78 Favored 'General case' 0 C--N 1.395 2.562 0 CA-C-O 126.487 3.042 . . . . 0.0 115.731 -169.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 37.1 mmm -56.4 -18.72 11.99 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 113.004 -1.907 . . . . 0.0 113.277 170.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -63.3 -16.42 60.28 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 117.501 -3.25 . . . . 0.0 117.163 171.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.31 -19.31 65.78 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 117.345 -3.347 . . . . 0.0 115.884 174.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.1 pt -138.44 -32.7 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.513 2.709 0 CA-C-O 114.308 -2.758 . . . . 0.0 118.169 164.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -69.23 -9.5 53.34 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-N 121.723 2.056 . . . . 0.0 106.839 -177.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -104.96 6.14 33.31 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 119.263 -2.148 . . . . 0.0 114.636 175.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -135.45 -37.17 0.77 Allowed 'General case' 0 C--N 1.346 0.42 0 O-C-N 118.401 -2.687 . . . . 0.0 110.156 -175.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.81 147.54 52.42 Favored 'General case' 1 N--CA 1.373 -4.284 0 O-C-N 117.938 -2.976 . . . . 0.0 112.026 158.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -46.38 -36.81 6.81 Favored 'General case' 0 N--CA 1.512 2.652 0 N-CA-C 116.164 1.912 . . . . 0.0 116.164 -175.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -144.26 178.9 7.58 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 125.96 2.79 . . . . 0.0 108.779 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 37.1 m -79.7 113.17 17.65 Favored 'General case' 0 CA--C 1.597 2.758 1 O-C-N 115.952 -4.218 . . . . 0.0 114.442 -177.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.518 ' HE2' ' H3 ' ' A' ' 203' ' ' SGN . 43.8 tttt -59.11 138.67 57.46 Favored 'General case' 0 N--CA 1.513 2.722 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 164.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -70.02 -49.85 47.33 Favored 'General case' 0 C--O 1.206 -1.199 0 C-N-CA 128.426 2.69 . . . . 0.0 114.772 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -137.93 147.87 44.76 Favored 'General case' 0 C--O 1.272 2.287 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 -177.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -153.09 159.88 42.85 Favored 'General case' 0 N--CA 1.5 2.067 0 C-N-CA 127.311 2.244 . . . . 0.0 112.197 167.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.2 m -144.24 142.44 30.48 Favored 'General case' 0 CA--C 1.568 1.665 0 O-C-N 128.493 3.621 . . . . 0.0 110.366 -173.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -132.35 131.45 41.92 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 127.553 2.341 . . . . 0.0 111.331 -173.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.9 mt -85.4 129.99 34.69 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 123.627 1.679 . . . . 0.0 109.616 175.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -78.74 57.23 2.03 Favored 'General case' 0 CA--C 1.561 1.384 0 CA-C-O 125.317 2.484 . . . . 0.0 111.474 174.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.6 t -141.77 -173.05 3.68 Favored 'General case' 0 N--CA 1.526 3.356 0 O-C-N 118.266 -2.771 . . . . 0.0 107.125 -176.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.5 p -93.98 149.89 20.84 Favored 'General case' 0 C--O 1.203 -1.348 0 N-CA-C 116.627 2.084 . . . . 0.0 116.627 176.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -52.93 -33.94 53.12 Favored 'General case' 0 CA--C 1.563 1.449 0 O-C-N 117.855 -3.028 . . . . 0.0 110.83 168.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.57 -35.22 75.17 Favored 'General case' 0 C--N 1.385 2.125 0 C-N-CA 124.202 1.001 . . . . 0.0 112.138 -176.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -66.33 -34.24 77.54 Favored 'General case' 0 CA--C 1.576 1.971 0 CA-C-O 116.703 -1.618 . . . . 0.0 113.569 169.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.4 t -70.48 -32.53 50.27 Favored 'Isoleucine or valine' 0 C--O 1.259 1.563 0 N-CA-C 115.983 1.845 . . . . 0.0 115.983 173.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.8 t -74.39 -37.6 45.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 C-N-CA 130.569 3.547 . . . . 0.0 110.911 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -53.73 -39.65 65.45 Favored 'General case' 0 CA--C 1.564 1.492 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 157.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.5 t -74.1 -26.29 20.8 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.185 0 O-C-N 120.319 -1.488 . . . . 0.0 108.248 -176.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 34.5 m -67.95 -5.48 17.31 Favored 'General case' 0 CA--C 1.463 -2.373 0 N-CA-C 119.525 3.157 . . . . 0.0 119.525 166.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -119.21 12.99 11.25 Favored Glycine 0 N--CA 1.499 2.873 0 N-CA-C 119.13 2.412 . . . . 0.0 119.13 164.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -66.44 178.74 1.15 Allowed 'General case' 0 CA--C 1.606 3.117 0 N-CA-C 103.414 -2.809 . . . . 0.0 103.414 160.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -46.17 149.49 0.71 Allowed 'General case' 0 CA--C 1.569 1.68 0 C-N-CA 127.151 2.181 . . . . 0.0 113.34 167.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.6 m -79.68 136.51 36.81 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 117.632 2.456 . . . . 0.0 117.632 165.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.9 pt -137.63 176.87 6.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 C-N-CA 127.725 2.41 . . . . 0.0 110.558 173.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -119.91 164.88 15.39 Favored 'General case' 0 N--CA 1.515 2.778 1 O-C-N 115.91 -4.244 . . . . 0.0 111.503 171.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 57.4 m -138.0 160.48 64.29 Favored Pre-proline 0 N--CA 1.486 1.33 0 O-C-N 128.087 3.367 . . . . 0.0 107.606 -172.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -79.8 -9.34 14.49 Favored 'Trans proline' 0 C--O 1.161 -3.336 0 N-CA-C 119.148 2.711 . . . . 0.0 119.148 -164.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -126.17 34.89 4.77 Favored 'General case' 0 C--O 1.269 2.128 0 CA-C-O 123.251 1.5 . . . . 0.0 114.434 170.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -129.52 -14.33 4.19 Favored 'General case' 0 C--N 1.375 1.706 1 O-C-N 116.128 -4.108 . . . . 0.0 113.199 -160.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -50.64 -10.76 0.07 Allowed 'General case' 0 CA--C 1.56 1.349 0 C-N-CA 128.198 2.599 . . . . 0.0 117.206 -163.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.4 p -78.5 -6.83 56.53 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-O 111.874 -3.917 . . . . 0.0 112.51 174.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.51 -6.09 4.19 Favored 'General case' 0 C--N 1.315 -0.912 0 O-C-N 127.694 3.121 . . . . 0.0 113.302 158.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.339 28.5 t30 47.56 36.47 5.34 Favored 'General case' 0 CA--C 1.565 1.555 0 C-N-CA 131.672 3.989 . . . . 0.0 111.49 168.111 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -148.33 134.3 19.15 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 123.43 1.586 . . . . 0.0 108.433 175.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.2 p -142.31 -172.45 3.6 Favored 'General case' 0 N--CA 1.414 -2.25 0 C-N-CA 129.058 2.943 . . . . 0.0 114.174 162.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -149.29 171.56 16.3 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 125.163 1.385 . . . . 0.0 114.613 -175.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -152.2 167.08 29.72 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 117.394 -3.316 . . . . 0.0 110.225 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.4 p -75.66 144.36 41.7 Favored 'General case' 0 N--CA 1.518 2.95 0 CA-C-O 117.721 -1.133 . . . . 0.0 112.912 -170.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -75.98 -21.06 57.35 Favored 'General case' 0 N--CA 1.419 -2.018 0 CA-C-O 113.963 -2.923 . . . . 0.0 112.414 170.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -146.96 164.31 33.38 Favored 'General case' 0 C--O 1.26 1.611 0 CA-C-N 122.058 2.208 . . . . 0.0 109.334 171.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -65.19 154.35 38.28 Favored 'General case' 0 C--N 1.395 2.544 0 CA-C-O 113.149 -3.31 . . . . 0.0 111.96 -176.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.1 m -133.08 151.81 78.53 Favored Pre-proline 0 C--O 1.275 2.413 0 CA-C-N 121.02 1.736 . . . . 0.0 106.979 166.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -56.28 151.69 42.72 Favored 'Trans proline' 0 C--N 1.389 2.679 0 C-N-CA 121.583 1.522 . . . . 0.0 112.167 161.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.416 HD21 ' HB2' ' A' ' 105' ' ' ARG . 2.4 pp -154.83 168.04 28.24 Favored 'General case' 1 CA--C 1.644 4.576 0 C-N-CA 127.235 2.214 . . . . 0.0 112.224 -175.351 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.2 tp -130.22 141.32 50.64 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 125.072 1.349 . . . . 0.0 111.525 167.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -116.86 143.79 45.28 Favored 'General case' 0 C--N 1.373 1.614 0 O-C-N 125.419 1.699 . . . . 0.0 111.164 170.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . 0.255 61.1 m -125.31 141.73 51.91 Favored 'General case' 0 C--O 1.27 2.17 0 CA-C-O 126.648 3.118 . . . . 0.0 110.051 173.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -133.89 126.22 29.98 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-N 108.894 -3.776 . . . . 0.0 115.666 -161.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.0 tp -88.65 98.4 11.65 Favored 'General case' 0 C--O 1.181 -2.534 0 CA-C-O 123.381 1.562 . . . . 0.0 108.133 -175.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.274 1.5 pt -72.28 -5.14 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.822 0 C-N-CA 127.108 2.163 . . . . 0.0 115.858 -170.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.414 ' HA ' ' HD2' ' A' ' 88' ' ' PRO . 2.2 t30 -145.48 110.1 4.55 Favored Pre-proline 0 C--O 1.269 2.085 0 O-C-N 118.52 -2.612 . . . . 0.0 107.213 167.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 87' ' ' ASN . 72.2 Cg_exo -48.11 -32.47 18.8 Favored 'Trans proline' 0 N--CA 1.5 1.872 1 C-N-CA 131.099 7.866 . . . . 0.0 119.007 169.061 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -56.56 -41.82 89.57 Favored Glycine 0 C--N 1.362 2.008 0 CA-C-N 111.153 -2.749 . . . . 0.0 118.844 173.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.1 128.45 35.87 Favored 'General case' 0 N--CA 1.423 -1.814 0 C-N-CA 130.024 3.329 . . . . 0.0 115.308 177.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -140.54 -4.82 1.24 Allowed 'General case' 0 N--CA 1.526 3.362 0 CA-C-N 122.787 2.539 . . . . 0.0 115.74 175.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -110.72 146.38 36.38 Favored 'General case' 0 CA--C 1.474 -1.969 0 C-N-CA 124.915 1.286 . . . . 0.0 111.531 171.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.4 pt -47.14 -31.59 1.89 Allowed 'Isoleucine or valine' 0 C--O 1.272 2.282 1 O-C-N 114.786 -4.946 . . . . 0.0 118.226 177.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.2 p -60.58 -20.78 61.51 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 120.79 -1.194 . . . . 0.0 113.214 174.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -131.42 -10.79 3.62 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 115.613 1.708 . . . . 0.0 115.613 177.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 86.2 m -57.15 121.4 9.97 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 117.469 2.396 . . . . 0.0 117.469 169.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -137.01 158.39 44.57 Favored 'General case' 0 C--N 1.386 2.185 0 O-C-N 119.396 -2.065 . . . . 0.0 111.706 -175.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -147.74 153.54 39.39 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 118.327 -1.349 . . . . 0.0 111.56 -155.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -133.36 149.17 51.87 Favored 'General case' 0 CA--C 1.574 1.89 0 CA-C-O 123.456 1.598 . . . . 0.0 112.38 166.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.431 ' O ' ' HD2' ' A' ' 101' ' ' ARG . 1.7 m-20 -81.19 151.87 27.98 Favored 'General case' 0 C--N 1.389 2.308 0 CA-C-N 108.899 -3.773 . . . . 0.0 111.206 -174.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.431 ' HD2' ' O ' ' A' ' 100' ' ' ASP . 3.8 mpt_? -159.24 88.69 2.07 Favored Pre-proline 0 N--CA 1.516 2.857 0 C-N-CA 130.118 3.367 . . . . 0.0 113.28 -174.134 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -87.87 163.98 7.5 Favored 'Trans proline' 0 C--O 1.265 1.832 0 C-N-CA 124.192 3.261 . . . . 0.0 115.469 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -164.77 178.94 39.73 Favored Glycine 0 N--CA 1.432 -1.626 0 N-CA-C 117.441 1.736 . . . . 0.0 117.441 -177.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -144.4 114.18 7.24 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-N 121.846 2.823 . . . . 0.0 110.198 166.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.416 ' HB2' HD21 ' A' ' 80' ' ' LEU . 86.7 mtm-85 -144.61 164.29 31.38 Favored 'General case' 0 CA--C 1.593 2.598 0 CA-C-O 112.793 -3.48 . . . . 0.0 112.16 -163.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -72.56 176.9 5.04 Favored 'General case' 0 CA--C 1.501 -0.942 0 O-C-N 127.003 2.689 . . . . 0.0 114.203 158.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -150.11 159.74 44.18 Favored 'General case' 0 N--CA 1.507 2.405 0 C-N-CA 118.22 -1.392 . . . . 0.0 113.152 -176.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.5 t -137.82 118.03 16.02 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.314 0 CA-C-O 123.12 1.438 . . . . 0.0 108.578 -174.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.3 m -129.7 163.33 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.351 0 CA-C-N 113.823 -1.535 . . . . 0.0 113.611 -177.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -123.68 150.07 44.7 Favored 'General case' 0 CA--C 1.572 1.806 0 O-C-N 119.739 -1.851 . . . . 0.0 108.739 -177.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 68.2 m -142.68 163.68 32.15 Favored 'General case' 0 N--CA 1.514 2.774 0 CA-C-N 121.399 1.909 . . . . 0.0 115.027 -160.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -156.6 -179.45 8.2 Favored 'General case' 0 N--CA 1.425 -1.677 0 O-C-N 119.279 -2.138 . . . . 0.0 112.806 -167.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . 0.279 31.3 t-20 -51.83 152.03 3.17 Favored 'General case' 0 N--CA 1.514 2.772 0 CA-C-O 127.509 3.528 . . . . 0.0 107.679 177.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -57.07 159.69 4.14 Favored 'General case' 0 CA--C 1.604 3.031 0 O-C-N 116.764 -3.71 . . . . 0.0 110.085 164.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -63.59 147.18 95.95 Favored Pre-proline 0 C--N 1.347 0.467 0 N-CA-C 118.176 2.658 . . . . 0.0 118.176 156.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -60.05 -22.24 68.62 Favored 'Trans proline' 0 N--CA 1.488 1.147 0 C-N-CA 123.397 2.731 . . . . 0.0 116.858 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 38.9 mtm105 -142.1 29.46 1.65 Allowed 'General case' 0 N--CA 1.502 2.168 0 CA-C-O 116.434 -1.746 . . . . 0.0 110.461 -158.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -148.58 140.91 24.18 Favored 'General case' 0 N--CA 1.515 2.814 0 CA-C-N 122.664 2.484 . . . . 0.0 111.256 171.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . 0.272 4.7 m 46.77 52.11 11.34 Favored Pre-proline 0 CA--C 1.549 0.911 0 CA-C-N 120.804 1.638 . . . . 0.0 113.791 162.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -37.36 -33.88 0.21 Allowed 'Trans proline' 0 C--N 1.373 1.857 1 C-N-CA 127.421 5.414 . . . . 0.0 114.434 175.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 49.8 tpt85 -59.03 -22.93 61.47 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 118.78 2.882 . . . . 0.0 118.78 -175.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . 0.329 30.2 m-85 -115.11 95.71 43.0 Favored Pre-proline 0 N--CA 1.509 2.485 1 O-C-N 129.37 4.169 . . . . 0.0 109.414 -176.308 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -73.08 -22.43 19.4 Favored 'Trans proline' 0 CA--C 1.57 2.32 0 N-CA-C 114.847 1.056 . . . . 0.0 114.847 -170.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . 0.256 4.3 m -129.87 144.28 38.52 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.813 0 C-N-CA 126.255 1.822 . . . . 0.0 113.559 167.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 25.0 m -143.18 162.48 42.72 Favored Pre-proline 0 C--O 1.259 1.573 0 C-N-CA 124.996 1.319 . . . . 0.0 110.981 -167.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -74.58 146.65 34.82 Favored 'Trans proline' 0 C--N 1.4 3.238 0 C-N-CA 124.204 3.269 . . . . 0.0 111.559 175.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 35.7 m -124.82 -23.33 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 N-CA-C 118.706 2.854 . . . . 0.0 118.706 176.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -152.54 170.79 19.31 Favored 'General case' 0 C--N 1.39 2.35 0 O-C-N 118.242 -2.786 . . . . 0.0 112.877 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 24.4 tp -129.37 151.62 49.82 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 126.765 2.026 . . . . 0.0 107.347 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -121.84 -50.14 2.07 Favored 'General case' 0 N--CA 1.515 2.781 0 CA-C-O 127.62 3.581 . . . . 0.0 115.316 -168.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.3 t -164.74 172.89 12.45 Favored 'General case' 0 N--CA 1.519 2.997 0 O-C-N 117.256 -3.403 . . . . 0.0 109.17 -173.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 76.1 p -150.78 135.07 16.98 Favored 'General case' 0 C--O 1.279 2.625 0 C-N-CA 126.863 2.065 . . . . 0.0 105.85 177.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.441 ' N ' HD13 ' A' ' 133' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.952 0 O-C-N 125.985 2.053 . . . . 0.0 112.741 -160.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 203' ' ' SGN . . . . . 0.518 ' H3 ' ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.7 mtp85 . . . . . 0 CA--C 1.569 1.681 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -46.92 159.15 0.35 Allowed 'Trans proline' 0 N--CA 1.43 -2.256 1 C-N-CA 128.291 5.994 . . . . 0.0 115.323 152.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.274 21.2 Cg_exo -57.24 -22.25 47.83 Favored 'Trans proline' 0 N--CA 1.448 -1.165 0 C-N-CA 124.453 3.435 . . . . 0.0 115.666 -173.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -132.06 -12.85 3.21 Favored 'General case' 0 N--CA 1.516 2.825 0 CA-C-N 123.621 2.919 . . . . 0.0 113.855 176.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -126.9 179.92 5.15 Favored 'General case' 0 C--O 1.19 -2.071 0 O-C-N 117.88 -3.012 . . . . 0.0 111.038 -176.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.7 p -79.29 167.66 20.61 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.088 -1.632 . . . . 0.0 110.753 152.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -64.04 -51.8 62.43 Favored 'General case' 0 N--CA 1.498 1.973 0 CA-C-O 123.441 1.591 . . . . 0.0 111.836 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.2 -43.37 98.37 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.527 -1.358 . . . . 0.0 110.268 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -63.29 -37.83 88.77 Favored 'General case' 0 CA--C 1.558 1.269 0 O-C-N 118.251 -2.78 . . . . 0.0 116.068 175.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.7 t-105 -56.59 -39.63 73.86 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 121.669 3.951 . . . . 0.0 121.669 165.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -52.49 -48.99 65.61 Favored 'General case' 0 C--O 1.249 1.028 0 C-N-CA 126.641 1.976 . . . . 0.0 112.702 161.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.4 -44.23 96.95 Favored 'General case' 0 N--CA 1.405 -2.712 0 O-C-N 119.242 -2.161 . . . . 0.0 112.302 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 52.3 mt -58.24 -27.55 32.73 Favored 'Isoleucine or valine' 0 C--N 1.401 2.815 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . 0.264 56.3 mt-30 -99.79 -22.61 15.28 Favored 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 174.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -133.23 2.43 3.58 Favored 'General case' 0 C--N 1.378 1.815 0 CA-C-O 114.446 -2.692 . . . . 0.0 116.464 -168.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.8 mm -128.51 127.8 67.36 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-O 124.388 2.042 . . . . 0.0 106.468 -178.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.7 m -169.8 120.77 0.67 Allowed 'General case' 0 CA--C 1.479 -1.786 0 O-C-N 119.923 -1.736 . . . . 0.0 113.04 178.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 tp -67.53 -28.29 67.68 Favored 'General case' 0 C--N 1.389 2.297 0 N-CA-C 118.622 2.823 . . . . 0.0 118.622 -178.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -150.73 73.95 8.72 Favored Pre-proline 0 CA--C 1.56 1.347 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -67.09 151.14 82.14 Favored 'Trans proline' 0 CA--C 1.565 2.032 0 O-C-N 125.628 2.383 . . . . 0.0 109.05 -163.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -70.51 179.47 4.08 Favored 'Trans proline' 0 C--O 1.281 2.629 0 C-N-CA 124.336 3.357 . . . . 0.0 108.553 -173.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.431 ' HA ' ' OD1' ' A' ' 100' ' ' ASP . 46.3 mmt-85 -50.0 137.23 17.46 Favored 'General case' 0 N--CA 1.531 3.579 1 O-C-N 115.606 -4.434 . . . . 0.0 111.357 163.79 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.473 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . 95.7 m -53.66 -25.3 17.39 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 116.982 -3.573 . . . . 0.0 114.705 175.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.3 p -60.68 -29.0 69.04 Favored 'General case' 0 C--O 1.259 1.558 0 CA-C-O 115.293 -2.289 . . . . 0.0 109.593 169.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.4 mm -94.87 -37.47 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.265 0 CA-C-N 122.788 2.54 . . . . 0.0 111.264 167.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.475 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -63.44 -42.24 98.66 Favored 'General case' 0 C--N 1.28 -2.417 0 CA-C-N 121.292 1.86 . . . . 0.0 111.115 -171.448 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.513 ' HG3' ' CD1' ' A' ' 98' ' ' TYR . 71.7 mmm -61.14 -32.12 71.83 Favored 'General case' 0 C--N 1.312 -1.059 0 O-C-N 117.263 -3.398 . . . . 0.0 110.488 -177.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -51.48 -21.85 2.71 Favored 'General case' 0 N--CA 1.414 -2.264 0 C-N-CA 124.896 1.278 . . . . 0.0 111.283 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.83 -7.04 4.33 Favored 'General case' 0 C--O 1.278 2.56 0 O-C-N 117.39 -3.319 . . . . 0.0 114.571 175.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -137.89 -39.97 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 CA-C-N 114.386 -1.279 . . . . 0.0 112.274 171.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -74.64 -18.37 60.55 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.962 1.305 . . . . 0.0 113.426 -176.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.425 1.8 m120 -100.19 6.57 44.79 Favored 'General case' 0 C--O 1.212 -0.885 0 C-N-CA 127.957 2.503 . . . . 0.0 115.841 166.185 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -128.9 9.19 5.79 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-O 122.356 1.074 . . . . 0.0 112.522 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -136.07 161.39 35.83 Favored 'General case' 0 C--N 1.289 -2.049 0 O-C-N 118.44 -2.663 . . . . 0.0 107.514 175.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 -65.46 -21.78 66.68 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 119.116 -2.24 . . . . 0.0 114.687 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 70.6 mtt180 -134.36 166.05 23.74 Favored 'General case' 0 C--O 1.191 -2.005 0 CA-C-N 119.914 1.234 . . . . 0.0 113.681 172.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.6 m -67.24 120.95 14.63 Favored 'General case' 0 C--O 1.269 2.093 0 CA-C-N 113.546 -1.661 . . . . 0.0 110.858 170.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.596 ' HE2' ' H3 ' ' A' ' 203' ' ' SGN . 17.7 tttt -75.04 137.65 41.63 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 127.858 2.463 . . . . 0.0 113.821 160.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -65.8 -40.58 92.03 Favored 'General case' 0 CA--C 1.558 1.27 0 N-CA-C 119.234 3.049 . . . . 0.0 119.234 -178.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -136.67 157.29 47.12 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-N 124.085 3.129 . . . . 0.0 112.281 177.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -151.83 152.7 32.98 Favored 'General case' 0 N--CA 1.526 3.351 0 CA-C-N 121.913 2.142 . . . . 0.0 115.272 155.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.2 m -114.96 148.82 38.25 Favored 'General case' 0 C--O 1.275 2.427 0 C-N-CA 125.173 1.389 . . . . 0.0 111.184 176.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.475 ' CZ ' ' HB1' ' A' ' 26' ' ' ALA . 13.3 m-85 -132.02 120.2 22.09 Favored 'General case' 0 N--CA 1.432 -1.348 0 C-N-CA 128.314 2.646 . . . . 0.0 110.709 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.5 mt -86.66 131.08 34.25 Favored 'General case' 0 N--CA 1.419 -2.01 0 C-N-CA 126.416 1.887 . . . . 0.0 111.747 178.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -91.75 51.13 1.8 Allowed 'General case' 0 C--O 1.253 1.287 0 C-N-CA 127.287 2.235 . . . . 0.0 112.292 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -139.02 165.47 27.03 Favored 'General case' 0 C--O 1.278 2.597 0 O-C-N 120.28 -1.513 . . . . 0.0 110.347 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.0 p -78.68 156.23 29.07 Favored 'General case' 0 C--O 1.197 -1.66 0 CA-C-N 122.056 2.207 . . . . 0.0 109.681 -167.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -61.51 -45.37 94.49 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 119.049 -1.061 . . . . 0.0 110.868 -170.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.88 -26.6 64.41 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-O 115.193 -2.337 . . . . 0.0 113.03 175.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -68.25 -31.87 71.65 Favored 'General case' 0 CA--C 1.583 2.227 0 C-N-CA 114.749 -2.78 . . . . 0.0 113.056 171.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.8 t -74.52 -30.08 24.94 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.913 0 C-N-CA 118.638 -1.225 . . . . 0.0 110.632 177.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.76 -40.5 81.54 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 CA-C-O 116.056 -1.926 . . . . 0.0 109.525 169.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -54.58 -30.88 55.71 Favored 'General case' 0 C--O 1.201 -1.483 0 CA-C-N 119.97 1.259 . . . . 0.0 112.571 170.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.4 t -81.58 -33.28 12.2 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.754 0 O-C-N 119.25 -2.156 . . . . 0.0 106.111 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 38.9 m -57.0 -14.66 3.81 Favored 'General case' 0 CA--C 1.573 1.838 0 N-CA-C 118.2 2.667 . . . . 0.0 118.2 161.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -81.47 -26.27 51.73 Favored Glycine 0 N--CA 1.504 3.193 0 C-N-CA 128.428 2.918 . . . . 0.0 116.749 171.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -67.29 156.78 35.53 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 128.574 2.75 . . . . 0.0 112.408 172.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -63.72 -179.57 0.39 Allowed 'General case' 0 CA--C 1.494 -1.184 0 CA-C-O 116.132 -1.889 . . . . 0.0 112.577 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 m -123.27 155.86 36.37 Favored 'General case' 0 CA--C 1.616 3.484 0 N-CA-C 116.69 2.107 . . . . 0.0 116.69 -167.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 pt -134.0 175.36 11.41 Favored 'Isoleucine or valine' 0 C--O 1.285 2.924 1 C-N-CA 131.887 4.075 . . . . 0.0 111.206 170.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -117.01 158.4 24.2 Favored 'General case' 0 CA--C 1.579 2.086 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 170.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 54.9 m -134.93 163.06 53.93 Favored Pre-proline 0 N--CA 1.508 2.434 0 C-N-CA 127.27 2.228 . . . . 0.0 112.732 -163.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . 0.308 31.5 Cg_exo -57.53 -18.72 33.45 Favored 'Trans proline' 0 C--N 1.372 1.796 0 N-CA-C 119.581 2.877 . . . . 0.0 119.581 -167.411 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -146.5 35.46 0.96 Allowed 'General case' 0 C--O 1.177 -2.725 0 CA-C-O 127.618 3.58 . . . . 0.0 115.55 -163.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -118.87 19.13 13.16 Favored 'General case' 0 N--CA 1.512 2.65 0 O-C-N 118.529 -2.607 . . . . 0.0 113.052 -152.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.1 ptt-85 -59.18 -42.49 90.95 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-O 115.816 -2.04 . . . . 0.0 110.601 -166.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.5 p -62.47 4.67 0.14 Allowed 'General case' 0 CA--C 1.611 3.309 0 CA-C-O 113.91 -2.948 . . . . 0.0 117.173 178.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 68' ' ' LEU . 1.6 pt? -147.79 -14.4 0.37 Allowed 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 121.258 1.844 . . . . 0.0 112.748 163.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 32.4 t30 46.82 41.02 9.88 Favored 'General case' 0 CA--C 1.58 2.128 0 CA-C-N 121.831 2.105 . . . . 0.0 115.48 -173.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -158.69 123.54 4.2 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 111.898 -2.41 . . . . 0.0 115.283 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.3 p -135.18 175.76 9.28 Favored 'General case' 0 C--O 1.272 2.262 0 C-N-CA 126.689 1.996 . . . . 0.0 107.801 164.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -147.67 145.36 28.89 Favored 'General case' 0 N--CA 1.498 1.954 0 CA-C-O 116.291 -1.814 . . . . 0.0 109.695 -171.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -123.48 152.31 41.83 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 125.257 1.423 . . . . 0.0 110.832 -175.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.0 p -79.11 160.6 26.98 Favored 'General case' 0 N--CA 1.5 2.048 0 C-N-CA 124.477 1.111 . . . . 0.0 113.133 -169.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -91.52 -11.18 38.14 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 117.579 -3.201 . . . . 0.0 109.193 -177.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -153.39 160.85 42.72 Favored 'General case' 0 C--O 1.208 -1.108 0 CA-C-N 120.751 1.614 . . . . 0.0 111.133 -174.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 32.4 mtm180 -67.65 146.57 53.7 Favored 'General case' 0 C--O 1.189 -2.115 0 O-C-N 118.912 -2.367 . . . . 0.0 109.369 175.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.7 m -129.69 155.36 80.48 Favored Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 119.998 -1.689 . . . . 0.0 113.309 165.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -68.26 165.93 27.01 Favored 'Trans proline' 0 CA--C 1.546 1.081 0 N-CA-C 107.048 -1.943 . . . . 0.0 107.048 171.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 pp -165.53 158.39 15.69 Favored 'General case' 0 N--CA 1.504 2.25 1 O-C-N 132.861 6.351 . . . . 0.0 111.506 -167.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 102' ' ' PRO 0.28 47.0 tp -121.54 127.97 51.53 Favored 'General case' 0 C--O 1.191 -2.009 0 O-C-N 125.676 1.86 . . . . 0.0 110.602 156.896 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -97.12 158.41 15.45 Favored 'General case' 0 C--O 1.182 -2.463 0 O-C-N 118.085 -2.884 . . . . 0.0 113.512 157.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 77.1 m -145.62 141.86 28.55 Favored 'General case' 0 C--O 1.183 -2.396 0 C-N-CA 127.436 2.294 . . . . 0.0 112.966 -169.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -148.04 117.94 7.17 Favored 'General case' 0 CA--C 1.581 2.14 0 CA-C-N 113.617 -1.629 . . . . 0.0 114.776 -150.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 88' ' ' PRO . 25.0 tp -66.71 80.77 0.1 Allowed 'General case' 0 CA--C 1.603 3.008 0 C-N-CA 124.642 1.177 . . . . 0.0 110.816 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 46.0 pt -52.55 -19.91 1.84 Allowed 'Isoleucine or valine' 0 C--O 1.189 -2.105 0 N-CA-C 117.43 2.381 . . . . 0.0 117.43 -169.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -117.53 99.97 52.55 Favored Pre-proline 0 N--CA 1.49 1.554 0 CA-C-O 115.896 -2.002 . . . . 0.0 105.647 159.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.457 ' HA ' HD23 ' A' ' 85' ' ' LEU 0.284 35.2 Cg_exo -54.41 -29.47 58.87 Favored 'Trans proline' 1 N--CA 1.393 -4.432 0 C-N-CA 122.144 1.896 . . . . 0.0 114.789 173.576 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -57.8 22.08 0.02 OUTLIER Glycine 0 C--O 1.192 -2.483 1 C-N-CA 131.442 4.353 . . . . 0.0 114.866 172.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -132.5 137.84 47.33 Favored 'General case' 0 CA--C 1.568 1.648 0 CA-C-N 122.737 3.268 . . . . 0.0 115.254 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -130.38 -3.44 4.34 Favored 'General case' 0 C--N 1.379 1.87 0 N-CA-C 116.677 2.103 . . . . 0.0 116.677 177.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -120.77 130.29 53.96 Favored 'General case' 0 N--CA 1.404 -2.758 0 O-C-N 116.467 -3.896 . . . . 0.0 106.995 -175.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.292 21.8 pt -49.34 -23.12 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 N-CA-C 116.361 1.986 . . . . 0.0 116.361 176.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.0 p -59.16 -12.52 5.29 Favored 'General case' 0 CA--C 1.576 1.959 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 167.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -145.23 -17.35 0.49 Allowed 'General case' 0 N--CA 1.472 0.672 0 O-C-N 127.325 2.891 . . . . 0.0 115.504 -176.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 65.6 m -56.32 145.63 26.44 Favored 'General case' 0 C--N 1.406 3.046 0 O-C-N 119.335 -2.103 . . . . 0.0 111.459 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -141.22 149.64 41.64 Favored 'General case' 0 N--CA 1.506 2.346 0 O-C-N 126.208 2.192 . . . . 0.0 111.089 -174.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.513 ' CD1' ' HG3' ' A' ' 27' ' ' MET . 58.0 m-85 -140.0 -179.02 5.72 Favored 'General case' 0 C--O 1.277 2.525 0 N-CA-C 117.678 2.473 . . . . 0.0 117.678 -168.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -176.24 157.22 1.74 Allowed 'General case' 0 C--N 1.387 2.208 0 CA-C-O 124.34 2.019 . . . . 0.0 110.126 170.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.435 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -81.9 145.02 30.56 Favored 'General case' 0 C--O 1.289 3.16 0 N-CA-C 119.278 3.066 . . . . 0.0 119.278 -173.499 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -148.18 80.24 8.69 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 118.362 -2.711 . . . . 0.0 105.562 177.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 81' ' ' LEU . 57.8 Cg_endo -69.87 176.55 6.7 Favored 'Trans proline' 0 CA--C 1.49 -1.685 0 C-N-CA 123.838 3.025 . . . . 0.0 111.32 177.308 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 169.23 -170.37 42.51 Favored Glycine 0 C--N 1.392 3.642 0 CA-C-N 122.34 2.336 . . . . 0.0 115.962 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -145.22 120.19 10.01 Favored 'General case' 0 N--CA 1.432 -1.371 0 O-C-N 117.482 -3.364 . . . . 0.0 109.251 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 66.6 mtm-85 -150.34 172.64 15.08 Favored 'General case' 0 CA--C 1.466 -2.254 0 CA-C-N 121.065 1.757 . . . . 0.0 109.297 -178.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . 0.323 58.0 m-85 -72.89 178.68 4.11 Favored 'General case' 0 C--N 1.267 -3.01 0 O-C-N 118.257 -2.777 . . . . 0.0 112.828 157.115 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -138.64 156.96 46.98 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 126.802 2.041 . . . . 0.0 110.178 176.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.3 t -121.0 139.65 47.57 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.235 0 C-N-CA 127.58 2.352 . . . . 0.0 107.747 166.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.0 m -139.15 167.64 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 O-C-N 118.24 -2.787 . . . . 0.0 108.115 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -124.73 154.64 40.55 Favored 'General case' 0 CA--C 1.468 -2.203 0 CA-C-O 125.95 2.786 . . . . 0.0 104.842 166.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 86.2 m -144.99 170.09 16.83 Favored 'General case' 0 C--O 1.253 1.271 0 CA-C-N 112.606 -2.088 . . . . 0.0 110.182 -164.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -161.14 163.09 31.55 Favored 'General case' 0 N--CA 1.514 2.764 0 C-N-CA 129.552 3.141 . . . . 0.0 108.138 -172.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -42.03 154.36 0.05 Allowed 'General case' 0 CA--C 1.586 2.35 0 O-C-N 127.085 2.741 . . . . 0.0 107.534 160.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -68.85 158.59 34.17 Favored 'General case' 0 CA--C 1.494 -1.175 0 CA-C-O 124.984 2.326 . . . . 0.0 112.773 174.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -60.1 144.25 87.22 Favored Pre-proline 0 C--N 1.276 -2.605 0 O-C-N 119.657 -1.902 . . . . 0.0 115.994 172.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 99.7 Cg_exo -59.76 0.54 0.58 Allowed 'Trans proline' 0 CA--C 1.557 1.669 0 N-CA-C 118.084 2.302 . . . . 0.0 118.084 174.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -148.59 -3.64 0.46 Allowed 'General case' 0 C--O 1.199 -1.586 0 CA-C-N 122.031 2.196 . . . . 0.0 111.103 -170.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -133.92 139.82 46.4 Favored 'General case' 0 N--CA 1.519 2.976 0 O-C-N 120.134 -1.604 . . . . 0.0 114.892 -171.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.2 m 46.87 53.39 13.57 Favored Pre-proline 0 C--O 1.204 -1.297 0 N-CA-C 116.726 2.121 . . . . 0.0 116.726 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -56.6 -5.28 1.09 Allowed 'Trans proline' 0 N--CA 1.497 1.716 0 O-C-N 117.52 -1.884 . . . . 0.0 115.152 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.7 tpt85 -70.96 -10.59 59.99 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 128.659 2.784 . . . . 0.0 117.272 -168.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.14 143.74 17.97 Favored Pre-proline 0 CA--C 1.472 -2.036 0 C-N-CA 125.755 1.622 . . . . 0.0 114.577 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -76.12 -35.04 2.57 Favored 'Trans proline' 0 C--N 1.387 2.576 0 CA-C-O 115.575 -1.927 . . . . 0.0 113.57 -163.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 12.6 m -131.86 156.95 43.02 Favored 'Isoleucine or valine' 0 C--O 1.262 1.728 0 C-N-CA 125.969 1.708 . . . . 0.0 115.02 178.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 17.4 m -144.82 149.66 43.71 Favored Pre-proline 1 N--CA 1.539 4.015 0 C-N-CA 127.77 2.428 . . . . 0.0 109.697 -169.148 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -83.29 144.32 11.59 Favored 'Trans proline' 0 N--CA 1.526 3.396 0 N-CA-C 104.703 -2.845 . . . . 0.0 104.703 -176.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . 0.274 14.3 m -123.98 -12.97 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 CA-C-N 115.049 -0.978 . . . . 0.0 113.278 -174.451 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -155.71 135.09 12.36 Favored 'General case' 0 C--O 1.247 0.937 0 CA-C-O 114.285 -2.769 . . . . 0.0 113.474 -173.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 21.2 tp -85.58 120.44 27.03 Favored 'General case' 0 CA--C 1.494 -1.18 0 CA-C-N 123.559 2.89 . . . . 0.0 108.139 164.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -90.84 -42.37 10.68 Favored 'General case' 0 CA--C 1.563 1.467 0 CA-C-N 123.647 2.93 . . . . 0.0 108.638 -176.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 9.2 t -170.11 166.31 9.08 Favored 'General case' 0 N--CA 1.499 1.985 0 C-N-CA 123.978 0.911 . . . . 0.0 111.356 -175.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.3 p -138.69 121.88 16.93 Favored 'General case' 0 C--N 1.284 -2.244 0 C-N-CA 130.254 3.422 . . . . 0.0 112.254 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.48 -1.713 0 N-CA-C 121.158 3.762 . . . . 0.0 121.158 -159.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 203' ' ' SGN . . . . . 0.596 ' H3 ' ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 . . . . . 0 C--O 1.266 1.95 0 N-CA-C 105.758 -1.941 . . . . 0.0 105.758 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 31.2 Cg_exo -42.79 136.12 4.75 Favored 'Trans proline' 0 CA--C 1.562 1.91 0 C-N-CA 124.491 3.461 . . . . 0.0 118.159 -179.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 2' ' ' PRO . 54.1 Cg_exo -36.93 -16.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.5 1.901 1 C-N-CA 126.056 4.504 . . . . 0.0 119.236 174.711 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 5' ' ' PHE . 33.8 mt-30 -146.72 -10.77 0.46 Allowed 'General case' 0 C--N 1.406 3.063 0 CA-C-O 116.772 -1.585 . . . . 0.0 110.455 171.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 4' ' ' GLN . 22.8 m-85 -142.26 175.27 9.89 Favored 'General case' 0 CA--C 1.605 3.06 2 CA-C-N 127.679 4.763 . . . . 0.0 111.014 -168.563 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.6 p -78.99 159.03 27.83 Favored 'General case' 0 C--O 1.28 2.694 0 O-C-N 120.864 -1.148 . . . . 0.0 109.264 161.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -50.17 -49.18 53.12 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 118.004 -2.935 . . . . 0.0 113.52 165.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.77 -44.06 73.32 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 126.908 2.083 . . . . 0.0 110.736 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -79.95 -39.23 30.64 Favored 'General case' 0 C--O 1.197 -1.707 0 O-C-N 118.805 -2.434 . . . . 0.0 111.82 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.0 t-105 -55.05 -42.75 73.07 Favored 'General case' 0 N--CA 1.419 -2.014 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 167.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -54.85 -40.9 70.12 Favored 'General case' 0 CA--C 1.594 2.658 0 O-C-N 117.792 -3.068 . . . . 0.0 111.563 164.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.89 -33.49 39.88 Favored 'General case' 0 N--CA 1.427 -1.61 0 CA-C-N 123.677 2.944 . . . . 0.0 112.637 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.4 mt -60.54 -27.61 40.66 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.416 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 170.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -88.54 -23.54 23.14 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 172.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -144.06 -14.21 0.62 Allowed 'General case' 0 CA--C 1.572 1.819 0 CA-C-N 124.041 3.109 . . . . 0.0 111.287 -155.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.6 mm -134.46 125.47 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.017 -1.052 . . . . 0.0 112.349 -171.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . 0.356 13.4 m -164.41 154.08 13.92 Favored 'General case' 0 CA--C 1.48 -1.714 0 C-N-CA 126.937 2.095 . . . . 0.0 108.694 167.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.1 tp -86.22 -24.32 26.1 Favored 'General case' 0 C--O 1.181 -2.547 0 O-C-N 127.209 2.818 . . . . 0.0 116.454 -169.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -142.25 101.76 5.68 Favored Pre-proline 0 C--N 1.299 -1.624 0 C-N-CA 130.298 3.439 . . . . 0.0 109.185 146.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -73.41 163.77 36.84 Favored 'Trans proline' 0 C--N 1.381 2.245 0 CA-C-O 117.609 -1.08 . . . . 0.0 109.497 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -48.89 168.18 0.11 Allowed 'Trans proline' 1 C--N 1.437 5.202 1 C-N-CA 127.49 5.46 . . . . 0.0 116.541 163.222 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -65.03 155.15 35.62 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.265 -1.522 . . . . 0.0 109.598 155.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.461 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . 81.6 m -55.42 -27.01 45.16 Favored 'General case' 0 C--O 1.26 1.638 0 CA-C-N 113.418 -1.719 . . . . 0.0 113.386 -178.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.9 p -53.17 -31.59 43.47 Favored 'General case' 0 N--CA 1.509 2.509 0 N-CA-C 116.061 1.875 . . . . 0.0 116.061 172.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.0 mm -106.46 -53.44 6.68 Favored 'Isoleucine or valine' 1 C--O 1.15 -4.15 0 CA-C-N 111.757 -2.474 . . . . 0.0 110.373 177.062 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.536 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -39.26 -48.15 1.78 Allowed 'General case' 0 N--CA 1.424 -1.746 0 C-N-CA 129.502 3.121 . . . . 0.0 110.273 176.348 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 78.5 mmm -62.47 -36.17 81.63 Favored 'General case' 0 C--O 1.185 -2.309 0 C-N-CA 126.75 2.02 . . . . 0.0 111.769 -175.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.6 mtt-85 -57.97 -21.86 46.49 Favored 'General case' 0 N--CA 1.419 -2.021 0 O-C-N 119.958 -1.714 . . . . 0.0 110.497 -178.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.91 -8.18 0.93 Allowed 'General case' 0 C--N 1.284 -2.262 0 CA-C-N 124.225 3.193 . . . . 0.0 116.881 170.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.1 pt -142.36 -38.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.81 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -69.76 -23.07 63.32 Favored 'General case' 0 C--N 1.28 -2.414 0 CA-C-O 123.247 1.499 . . . . 0.0 109.809 -174.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -113.66 4.64 16.15 Favored 'General case' 0 CA--C 1.588 2.405 0 CA-C-O 115.778 -2.058 . . . . 0.0 112.801 -176.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -125.04 -36.6 2.52 Favored 'General case' 0 C--O 1.184 -2.352 0 O-C-N 126.643 2.464 . . . . 0.0 116.739 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -77.75 163.15 26.39 Favored 'General case' 0 N--CA 1.427 -1.583 0 O-C-N 117.837 -3.039 . . . . 0.0 113.2 152.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -64.94 -16.52 63.42 Favored 'General case' 0 CA--C 1.573 1.864 0 C-N-CA 126.394 1.878 . . . . 0.0 115.826 -171.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -143.41 164.41 30.38 Favored 'General case' 0 CA--C 1.454 -2.727 0 C-N-CA 125.174 1.39 . . . . 0.0 112.748 176.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 59.9 m -66.72 122.96 18.8 Favored 'General case' 1 N--CA 1.546 4.359 0 C-N-CA 130.033 3.333 . . . . 0.0 111.311 173.152 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.474 ' HE2' ' H3 ' ' A' ' 203' ' ' SGN . 66.8 tttt -70.2 135.84 49.45 Favored 'General case' 0 C--N 1.271 -2.806 0 CA-C-O 117.439 -1.267 . . . . 0.0 111.107 167.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -75.63 -33.97 60.52 Favored 'General case' 0 C--O 1.206 -1.202 0 O-C-N 127.715 3.134 . . . . 0.0 112.828 -177.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -132.42 161.08 34.56 Favored 'General case' 0 CA--C 1.592 2.571 0 CA-C-N 124.261 3.21 . . . . 0.0 109.24 171.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -152.76 170.39 20.42 Favored 'General case' 1 N--CA 1.553 4.713 0 O-C-N 118.418 -2.676 . . . . 0.0 110.584 157.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 82' ' ' HIS . 9.1 m -145.68 139.85 26.86 Favored 'General case' 0 C--O 1.244 0.767 0 N-CA-C 103.745 -2.687 . . . . 0.0 103.745 178.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.536 ' CZ ' ' HB1' ' A' ' 26' ' ' ALA . 84.6 m-85 -124.41 129.01 49.91 Favored 'General case' 0 C--N 1.288 -2.084 0 C-N-CA 126.47 1.908 . . . . 0.0 109.741 178.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 mp -108.17 153.2 23.52 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 122.788 2.54 . . . . 0.0 111.058 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -101.93 61.81 0.89 Allowed 'General case' 0 C--O 1.265 1.894 0 C-N-CA 128.318 2.647 . . . . 0.0 113.763 -175.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.1 t -141.39 152.47 44.36 Favored 'General case' 0 C--O 1.19 -2.074 0 C-N-CA 128.601 2.761 . . . . 0.0 110.54 176.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.3 p -61.46 144.73 53.68 Favored 'General case' 0 N--CA 1.501 2.089 0 C-N-CA 129.594 3.158 . . . . 0.0 111.947 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -48.17 -42.95 31.06 Favored 'General case' 0 C--O 1.262 1.741 0 CA-C-O 114.399 -2.715 . . . . 0.0 110.48 160.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.83 -36.99 63.13 Favored 'General case' 0 C--O 1.275 2.444 0 O-C-N 126.727 2.517 . . . . 0.0 115.728 176.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.257 22.4 t-20 -67.91 -38.94 83.58 Favored 'General case' 0 C--O 1.258 1.55 0 N-CA-C 117.365 2.357 . . . . 0.0 117.365 168.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.2 t -62.77 -50.77 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.862 0 CA-C-O 115.716 -2.088 . . . . 0.0 109.025 173.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 42.6 t -54.64 -37.03 37.97 Favored 'Isoleucine or valine' 0 C--N 1.368 1.408 0 C-N-CA 128.906 2.882 . . . . 0.0 111.817 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -62.14 -53.68 51.94 Favored 'General case' 0 C--O 1.263 1.811 0 O-C-N 128.462 3.601 . . . . 0.0 111.218 170.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.1 t -57.34 -37.16 55.55 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.682 0 C-N-CA 126.841 2.056 . . . . 0.0 111.752 176.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 71.2 m -61.3 -18.0 56.39 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-O 114.399 -2.715 . . . . 0.0 112.792 172.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.45 -11.9 49.92 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 125.347 1.654 . . . . 0.0 115.884 173.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -48.97 162.85 0.1 Allowed 'General case' 0 CA--C 1.593 2.618 0 O-C-N 117.83 -3.159 . . . . 0.0 110.024 161.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -57.14 156.92 6.56 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-O 127.49 3.519 . . . . 0.0 110.342 -174.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.8 m -102.93 138.17 40.17 Favored 'General case' 0 N--CA 1.483 1.191 0 O-C-N 117.181 -3.449 . . . . 0.0 110.006 -172.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 9.1 pt -134.73 -172.57 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.715 0 C-N-CA 126.435 1.894 . . . . 0.0 112.557 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.9 ptt-85 -122.0 160.27 25.26 Favored 'General case' 0 C--O 1.255 1.382 0 CA-C-N 120.366 1.439 . . . . 0.0 114.743 166.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 90.7 m -134.56 169.6 13.43 Favored Pre-proline 0 C--N 1.285 -2.202 0 O-C-N 125.93 2.019 . . . . 0.0 110.875 -170.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -62.39 -34.7 75.97 Favored 'Trans proline' 0 N--CA 1.422 -2.7 0 N-CA-C 116.594 1.728 . . . . 0.0 116.594 -169.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 50.4 m170 -122.53 53.34 1.26 Allowed 'General case' 0 CA--C 1.561 1.395 0 CA-C-O 126.639 3.114 . . . . 0.0 111.901 -170.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -134.57 -2.29 2.73 Favored 'General case' 0 C--O 1.267 1.99 1 O-C-N 114.32 -5.237 . . . . 0.0 114.401 -142.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . 0.258 38.8 ptt180 -52.69 -36.03 56.51 Favored 'General case' 0 CA--C 1.556 1.202 0 N-CA-C 118.806 2.891 . . . . 0.0 118.806 -172.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 62.8 p -81.64 -3.24 52.95 Favored 'General case' 0 CA--C 1.483 -1.621 0 C-N-CA 129.592 3.157 . . . . 0.0 112.619 -166.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.567 HD11 ' HB1' ' A' ' 110' ' ' ALA 0.301 2.7 pt? -134.19 -17.24 2.11 Favored 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 115.528 -2.177 . . . . 0.0 112.81 159.225 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.271 59.8 t30 31.59 46.52 0.05 Allowed 'General case' 0 CA--C 1.586 2.354 0 C-N-CA 127.091 2.156 . . . . 0.0 112.551 -167.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -149.8 125.95 10.67 Favored 'General case' 0 CA--C 1.571 1.755 0 O-C-N 128.082 3.364 . . . . 0.0 108.403 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 32.0 p -148.87 162.47 39.77 Favored 'General case' 0 N--CA 1.496 1.862 1 O-C-N 116.201 -4.062 . . . . 0.0 112.43 169.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -140.18 150.18 43.88 Favored 'General case' 0 N--CA 1.508 2.47 1 O-C-N 115.594 -4.441 . . . . 0.0 109.178 -171.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -126.61 140.84 52.12 Favored 'General case' 0 CA--C 1.615 3.462 0 C-N-CA 125.997 1.719 . . . . 0.0 110.886 -173.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 51.3 p -56.43 141.92 40.46 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 117.81 2.522 . . . . 0.0 117.81 -177.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.9 mtt-85 -75.53 -10.68 59.66 Favored 'General case' 0 N--CA 1.532 3.658 0 CA-C-N 110.233 -3.167 . . . . 0.0 109.922 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -162.71 166.29 24.57 Favored 'General case' 0 N--CA 1.514 2.73 0 C-N-CA 131.366 3.866 . . . . 0.0 114.751 -176.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 -77.93 158.08 29.5 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.591 1.956 . . . . 0.0 107.424 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.0 m -135.7 152.25 75.75 Favored Pre-proline 0 C--O 1.276 2.451 0 O-C-N 119.582 -1.949 . . . . 0.0 107.712 176.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -63.76 145.04 90.47 Favored 'Trans proline' 0 CA--C 1.473 -2.57 0 C-N-CA 121.887 1.725 . . . . 0.0 110.323 167.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 pp -154.66 175.52 13.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 117.467 -3.271 . . . . 0.0 108.721 -174.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.9 tp -149.51 112.27 4.8 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-O 127.179 3.371 . . . . 0.0 106.906 -175.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 58.2 t60 -86.68 151.09 23.71 Favored 'General case' 0 C--N 1.384 2.07 0 C-N-CA 129.511 3.125 . . . . 0.0 108.873 173.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 99.2 m -137.75 142.5 40.95 Favored 'General case' 0 N--CA 1.508 2.439 0 CA-C-N 111.859 -2.428 . . . . 0.0 111.355 -178.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . 0.271 13.8 t0 -139.55 154.09 47.57 Favored 'General case' 0 CA--C 1.568 1.672 0 CA-C-N 113.98 -1.464 . . . . 0.0 114.061 -171.209 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.9 tp -103.78 138.77 39.93 Favored 'General case' 0 C--O 1.304 3.941 0 N-CA-C 104.625 -2.361 . . . . 0.0 104.625 -169.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.332 1.2 pp -81.82 -23.95 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.136 0 O-C-N 119.657 -1.902 . . . . 0.0 112.136 -173.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -123.3 83.83 52.08 Favored Pre-proline 0 CA--C 1.493 -1.212 0 O-C-N 118.979 -2.326 . . . . 0.0 111.225 -172.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . 0.25 26.3 Cg_exo -47.67 19.98 0.01 OUTLIER 'Trans proline' 0 N--CA 1.515 2.783 1 C-N-CA 127.193 5.262 . . . . 0.0 120.148 177.905 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -133.86 -10.43 1.79 Allowed Glycine 0 C--O 1.193 -2.409 0 C-N-CA 127.795 2.617 . . . . 0.0 115.785 170.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.03 133.56 55.48 Favored 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 126.444 1.897 . . . . 0.0 111.593 164.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -141.96 -4.22 1.07 Allowed 'General case' 0 CA--C 1.593 2.622 0 CA-C-O 113.804 -2.998 . . . . 0.0 111.73 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -115.75 136.45 53.04 Favored 'General case' 0 CA--C 1.562 1.442 0 CA-C-N 125.035 3.561 . . . . 0.0 111.405 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.419 HG21 HD13 ' A' ' 93' ' ' ILE . 29.1 pt -48.9 -37.59 9.39 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.875 0 C-N-CA 129.285 3.034 . . . . 0.0 113.011 -175.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.2 p -51.49 -19.2 1.33 Allowed 'General case' 0 N--CA 1.508 2.454 0 O-C-N 116.729 -3.732 . . . . 0.0 116.297 165.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -137.82 -22.28 1.09 Allowed 'General case' 0 CA--C 1.59 2.485 0 CA-C-N 121.125 1.784 . . . . 0.0 114.004 -165.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 77.7 m -69.47 132.31 46.12 Favored 'General case' 0 C--O 1.278 2.583 0 C-N-CA 128.423 2.689 . . . . 0.0 115.766 173.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -139.7 153.56 47.26 Favored 'General case' 0 C--N 1.386 2.183 0 C-N-CA 128.049 2.539 . . . . 0.0 109.182 -177.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -128.29 166.19 19.09 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 116.958 2.207 . . . . 0.0 116.958 -169.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -148.95 159.3 44.33 Favored 'General case' 0 N--CA 1.513 2.679 0 N-CA-C 107.038 -1.468 . . . . 0.0 107.038 170.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -85.9 146.69 26.6 Favored 'General case' 0 CA--C 1.488 -1.405 0 C-N-CA 129.86 3.264 . . . . 0.0 112.841 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -141.66 75.43 21.87 Favored Pre-proline 0 C--N 1.352 0.697 0 O-C-N 118.825 -2.422 . . . . 0.0 107.573 167.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -58.4 157.8 25.21 Favored 'Trans proline' 0 C--N 1.398 3.169 0 N-CA-C 117.332 2.012 . . . . 0.0 117.332 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -166.46 -175.93 37.16 Favored Glycine 0 C--N 1.369 2.364 0 N-CA-C 120.343 2.897 . . . . 0.0 120.343 -173.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -151.92 103.98 2.96 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 127.296 2.239 . . . . 0.0 113.979 172.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 59.8 mtm-85 -138.57 166.16 25.03 Favored 'General case' 0 N--CA 1.52 3.05 0 O-C-N 118.458 -2.651 . . . . 0.0 114.741 -175.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -70.18 167.03 18.73 Favored 'General case' 0 N--CA 1.519 2.978 0 CA-C-N 120.191 1.36 . . . . 0.0 109.208 164.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -139.17 160.41 39.86 Favored 'General case' 0 C--N 1.381 1.937 1 O-C-N 114.669 -5.019 . . . . 0.0 117.249 177.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 25.2 t -132.78 133.99 58.76 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 CA-C-N 109.905 -3.316 . . . . 0.0 110.231 -174.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.5 m -136.34 147.16 27.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 124.744 1.278 . . . . 0.0 112.298 -173.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.567 ' HB1' HD11 ' A' ' 68' ' ' LEU . . . -95.23 157.77 15.75 Favored 'General case' 0 N--CA 1.521 3.088 0 O-C-N 118.131 -2.855 . . . . 0.0 108.902 158.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 30.4 m -150.25 143.9 25.25 Favored 'General case' 0 CA--C 1.584 2.254 0 C-N-CA 128.578 2.751 . . . . 0.0 111.519 -162.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -152.21 165.76 33.84 Favored 'General case' 0 CA--C 1.589 2.478 0 CA-C-N 121.164 1.802 . . . . 0.0 113.686 -168.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -48.44 137.71 11.1 Favored 'General case' 0 C--O 1.259 1.553 0 C-N-CA 126.48 1.912 . . . . 0.0 111.529 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.425 ' HD2' ' HA ' ' A' ' 123' ' ' PRO . 8.1 ptm180 -42.09 152.58 0.08 Allowed 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 121.464 3.876 . . . . 0.0 121.464 170.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -70.87 122.56 87.22 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 118.504 -2.623 . . . . 0.0 107.812 164.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -48.74 -34.93 29.0 Favored 'Trans proline' 0 C--N 1.368 1.583 1 C-N-CA 125.713 4.275 . . . . 0.0 117.872 -177.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 -110.35 18.26 20.03 Favored 'General case' 0 N--CA 1.507 2.377 0 O-C-N 120.692 -1.255 . . . . 0.0 112.102 -168.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -144.78 146.29 32.06 Favored 'General case' 0 N--CA 1.419 -1.978 0 O-C-N 118.484 -2.635 . . . . 0.0 113.707 -172.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . 0.318 6.5 m 50.28 51.46 10.7 Favored Pre-proline 0 CA--C 1.595 2.685 0 N-CA-C 119.515 3.154 . . . . 0.0 119.515 161.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -86.57 19.26 1.42 Allowed 'Trans proline' 0 C--N 1.383 2.377 0 CA-C-N 121.351 1.518 . . . . 0.0 112.87 -160.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -75.1 0.59 15.65 Favored 'General case' 0 CA--C 1.571 1.765 0 O-C-N 118.066 -2.896 . . . . 0.0 116.014 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -146.83 153.27 46.04 Favored Pre-proline 0 C--N 1.377 1.787 0 O-C-N 128.105 3.378 . . . . 0.0 110.291 175.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.425 ' HA ' ' HD2' ' A' ' 114' ' ' ARG . 58.1 Cg_endo -84.26 -15.31 6.6 Favored 'Trans proline' 0 C--O 1.266 1.884 1 C-N-CA 126.546 4.83 . . . . 0.0 112.929 173.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 9.3 m -133.39 166.26 29.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 CA-C-N 118.93 0.786 . . . . 0.0 112.268 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 22.2 m -147.04 153.5 45.47 Favored Pre-proline 0 N--CA 1.535 3.795 0 C-N-CA 126.872 2.069 . . . . 0.0 109.816 -176.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -63.31 152.04 81.86 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 124.679 3.586 . . . . 0.0 113.407 170.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 22.9 m -141.7 -11.33 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.523 3.217 0 C-N-CA 115.665 -2.414 . . . . 0.0 116.389 -177.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -164.19 145.65 8.63 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 113.647 -1.615 . . . . 0.0 112.26 -177.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 20.6 tp -102.18 134.13 45.93 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 116.23 -1.843 . . . . 0.0 113.867 172.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -103.28 -54.28 2.64 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 124.974 1.421 . . . . 0.0 110.819 -171.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.9 t -161.06 169.96 21.43 Favored 'General case' 0 C--N 1.379 1.851 0 CA-C-N 114.232 -1.349 . . . . 0.0 112.387 -175.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 43.1 p -137.28 143.75 42.33 Favored 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 126.161 2.163 . . . . 0.0 110.766 165.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.253 0.2 OUTLIER . . . . . 0 C--O 1.269 2.112 0 N-CA-C 117.331 2.345 . . . . 0.0 117.331 -161.332 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 203' ' ' SGN . . . . . 0.474 ' H3 ' ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 . . . . . 0 C--O 1.191 -1.977 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -55.47 155.26 21.44 Favored 'Trans proline' 0 C--N 1.386 2.502 1 C-N-CA 128.918 6.412 . . . . 0.0 115.287 176.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -70.22 -11.21 29.82 Favored 'Trans proline' 0 N--CA 1.416 -3.08 0 C-N-CA 122.844 2.362 . . . . 0.0 112.954 -159.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -145.96 24.18 1.34 Allowed 'General case' 0 CA--C 1.624 3.806 0 O-C-N 119.516 -1.99 . . . . 0.0 113.716 166.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -140.48 155.94 46.51 Favored 'General case' 0 CA--C 1.555 1.146 1 CA-C-O 128.588 4.042 . . . . 0.0 111.58 -175.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.3 p -71.6 159.34 34.6 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 116.31 -3.994 . . . . 0.0 113.418 145.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -60.56 -49.46 77.44 Favored 'General case' 0 C--N 1.361 1.085 0 CA-C-O 111.724 -3.989 . . . . 0.0 111.375 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.439 ' HB2' ' HB ' ' A' ' 125' ' ' VAL 0.277 . . -45.25 -53.15 8.69 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 127.618 3.074 . . . . 0.0 112.11 172.672 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -65.94 -35.26 80.12 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 119.79 -1.819 . . . . 0.0 114.617 -178.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -80.09 -32.55 39.22 Favored 'General case' 0 N--CA 1.499 2.02 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.254 174.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -59.76 -36.02 75.79 Favored 'General case' 0 C--O 1.275 2.434 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 164.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.28 -52.39 14.14 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 120.596 -1.315 . . . . 0.0 109.974 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.8 mt -56.79 -32.0 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.556 0 O-C-N 116.505 -3.872 . . . . 0.0 109.702 -178.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -81.14 -18.9 44.8 Favored 'General case' 0 N--CA 1.519 2.992 0 N-CA-C 116.95 2.204 . . . . 0.0 116.95 176.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -153.84 -9.0 0.15 Allowed 'General case' 0 C--O 1.187 -2.219 0 CA-C-O 113.803 -2.998 . . . . 0.0 116.388 -168.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.4 mm -134.91 102.18 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 127.956 3.285 . . . . 0.0 108.381 -176.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.1 m -154.01 104.73 2.67 Favored 'General case' 0 N--CA 1.486 1.346 1 O-C-N 129.771 4.419 . . . . 0.0 107.071 -159.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.7 tp -76.83 -31.27 56.78 Favored 'General case' 0 C--O 1.253 1.28 0 CA-C-O 114.699 -2.572 . . . . 0.0 113.245 -165.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -143.36 50.83 1.47 Allowed Pre-proline 0 N--CA 1.512 2.631 0 CA-C-N 121.903 2.138 . . . . 0.0 110.893 -173.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -69.26 161.25 46.6 Favored 'Trans proline' 0 C--N 1.296 -2.198 1 C-N-CA 129.368 6.712 . . . . 0.0 116.817 -166.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -81.7 179.89 5.37 Favored 'Trans proline' 0 N--CA 1.413 -3.215 0 C-N-CA 124.558 3.505 . . . . 0.0 108.923 173.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -73.09 172.41 11.1 Favored 'General case' 0 C--N 1.374 1.651 0 C-N-CA 118.36 -1.336 . . . . 0.0 110.987 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 77.1 m -60.82 -25.65 66.76 Favored 'General case' 0 CA--C 1.575 1.91 0 CA-C-O 114.516 -2.659 . . . . 0.0 111.169 -177.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.4 p -47.95 -31.5 5.31 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 128.355 2.662 . . . . 0.0 112.36 168.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.3 mm -115.21 -47.01 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 CA-C-O 122.927 1.346 . . . . 0.0 110.544 -177.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.7 -28.58 68.75 Favored 'General case' 0 C--O 1.267 1.983 0 C-N-CA 130.391 3.476 . . . . 0.0 111.01 -168.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 87.3 mmm -64.49 -32.46 74.1 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 173.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -56.62 -29.58 62.35 Favored 'General case' 0 N--CA 1.509 2.515 0 O-C-N 124.385 1.053 . . . . 0.0 113.229 -166.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -12.61 15.49 Favored 'General case' 0 C--O 1.252 1.227 0 C-N-CA 126.95 2.1 . . . . 0.0 113.928 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.5 pt -129.02 -38.22 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 N-CA-C 104.997 -2.223 . . . . 0.0 104.997 173.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -78.28 -28.44 47.58 Favored 'General case' 0 N--CA 1.511 2.597 0 CA-C-N 123.57 2.896 . . . . 0.0 114.044 -171.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -89.69 -33.88 16.45 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 165.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -80.06 -37.24 34.28 Favored 'General case' 0 C--O 1.169 -3.175 0 C-N-CA 127.648 2.379 . . . . 0.0 111.211 -174.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 -86.42 167.42 14.72 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 124.706 1.202 . . . . 0.0 111.406 170.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.22 -12.04 60.45 Favored 'General case' 0 N--CA 1.52 3.041 0 N-CA-C 117.489 2.403 . . . . 0.0 117.489 -165.383 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -152.13 153.2 33.42 Favored 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 130.707 3.603 . . . . 0.0 107.287 -174.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 83.4 m -57.37 124.4 18.78 Favored 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 130.21 3.404 . . . . 0.0 115.703 162.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -75.17 145.0 42.47 Favored 'General case' 0 CA--C 1.589 2.457 0 C-N-CA 125.484 1.513 . . . . 0.0 114.272 163.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -78.1 -30.25 49.4 Favored 'General case' 0 C--N 1.297 -1.705 0 C-N-CA 129.754 3.221 . . . . 0.0 110.842 -169.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -151.57 150.22 30.06 Favored 'General case' 0 CA--C 1.612 3.333 1 C-N-CA 132.715 4.406 . . . . 0.0 114.154 -174.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -147.87 169.07 20.62 Favored 'General case' 0 C--O 1.205 -1.255 0 C-N-CA 117.08 -1.848 . . . . 0.0 115.393 158.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.8 m -129.77 132.33 46.52 Favored 'General case' 0 N--CA 1.507 2.417 0 C-N-CA 127.365 2.266 . . . . 0.0 110.966 169.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -119.48 135.3 54.83 Favored 'General case' 0 N--CA 1.443 -0.82 0 O-C-N 123.956 0.785 . . . . 0.0 112.009 164.503 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.1 mp -98.33 133.95 42.02 Favored 'General case' 0 N--CA 1.392 -3.333 0 CA-C-O 124.153 1.93 . . . . 0.0 107.65 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . 0.259 71.5 mtp180 -76.66 56.43 1.14 Allowed 'General case' 0 C--O 1.194 -1.822 0 N-CA-C 118.428 2.751 . . . . 0.0 118.428 167.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.3 t -133.0 178.84 6.57 Favored 'General case' 0 CA--C 1.577 2.013 0 C-N-CA 124.296 1.038 . . . . 0.0 113.737 172.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.7 p -97.59 157.93 15.76 Favored 'General case' 0 C--N 1.289 -2.064 0 O-C-N 118.171 -2.83 . . . . 0.0 107.698 -169.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -56.9 -40.65 76.66 Favored 'General case' 0 CA--C 1.59 2.496 0 C-N-CA 127.393 2.277 . . . . 0.0 111.705 175.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.65 91.57 Favored 'General case' 0 C--O 1.2 -1.531 0 CA-C-O 117.893 -1.051 . . . . 0.0 112.253 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -49.35 -42.31 41.47 Favored 'General case' 0 C--O 1.268 2.051 0 C-N-CA 125.088 1.355 . . . . 0.0 110.631 171.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . 0.287 1.4 t -63.69 -50.16 79.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 CA-C-O 115.263 -2.303 . . . . 0.0 115.323 173.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.2 t -55.42 -27.01 20.09 Favored 'Isoleucine or valine' 0 C--O 1.269 2.109 0 O-C-N 126.788 2.555 . . . . 0.0 116.943 175.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -68.31 -53.77 22.03 Favored 'General case' 0 C--N 1.374 1.655 0 C-N-CA 128.64 2.776 . . . . 0.0 111.021 167.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.0 t -55.38 -35.31 36.63 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.333 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 171.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 80.3 m -63.32 5.16 0.18 Allowed 'General case' 0 N--CA 1.517 2.894 0 C-N-CA 127.898 2.479 . . . . 0.0 113.973 166.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -132.41 5.13 5.24 Favored Glycine 0 CA--C 1.541 1.689 0 CA-C-N 121.681 2.037 . . . . 0.0 110.782 173.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -66.89 167.97 10.63 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 115.813 1.782 . . . . 0.0 115.813 167.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -47.73 140.98 5.85 Favored 'General case' 0 N--CA 1.406 -2.665 0 N-CA-C 117.727 2.492 . . . . 0.0 117.727 175.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.4 m -91.37 115.33 27.95 Favored 'General case' 0 N--CA 1.5 2.043 0 C-N-CA 126.459 1.903 . . . . 0.0 110.379 -169.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.415 HD13 HG21 ' A' ' 60' ' ' ILE . 18.8 pt -124.12 -175.02 1.04 Allowed 'Isoleucine or valine' 0 C--O 1.259 1.601 0 O-C-N 125.631 1.832 . . . . 0.0 114.973 170.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -124.3 161.99 24.7 Favored 'General case' 0 C--O 1.267 1.994 0 O-C-N 125.247 1.592 . . . . 0.0 106.746 172.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 85.4 m -133.56 165.8 34.04 Favored Pre-proline 0 N--CA 1.4 -2.945 0 O-C-N 117.972 -2.955 . . . . 0.0 111.105 -169.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -84.55 5.63 6.18 Favored 'Trans proline' 0 N--CA 1.501 1.912 0 C-N-CA 123.827 3.018 . . . . 0.0 115.463 -175.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -136.85 34.92 2.62 Favored 'General case' 0 N--CA 1.518 2.965 0 O-C-N 117.816 -3.053 . . . . 0.0 111.787 169.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -126.15 1.72 7.17 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-O 115.894 -2.003 . . . . 0.0 113.224 -162.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.6 ptt85 -59.1 -20.76 56.42 Favored 'General case' 0 N--CA 1.514 2.73 0 C-N-CA 127.206 2.202 . . . . 0.0 114.853 -165.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.5 p -70.04 -11.92 61.23 Favored 'General case' 0 N--CA 1.528 3.463 0 N-CA-C 117.107 2.262 . . . . 0.0 117.107 175.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -144.61 -8.66 0.65 Allowed 'General case' 0 C--N 1.38 1.925 0 N-CA-C 118.736 2.865 . . . . 0.0 118.736 161.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 62.1 t30 56.24 43.82 25.93 Favored 'General case' 0 C--O 1.166 -3.301 1 CA-C-N 126.152 4.069 . . . . 0.0 111.385 165.094 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -166.47 102.27 0.6 Allowed 'General case' 0 C--N 1.357 0.895 0 CA-C-N 111.269 -2.696 . . . . 0.0 107.064 -169.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.0 p -140.93 174.43 10.53 Favored 'General case' 0 N--CA 1.524 3.259 0 O-C-N 125.18 1.55 . . . . 0.0 107.703 173.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -140.64 152.44 45.4 Favored 'General case' 0 N--CA 1.515 2.814 0 CA-C-O 113.936 -2.935 . . . . 0.0 114.447 -177.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -126.45 153.29 45.26 Favored 'General case' 0 CA--C 1.491 -1.297 0 CA-C-N 122.385 2.357 . . . . 0.0 110.856 177.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.438 ' HB3' ' CE2' ' A' ' 107' ' ' TYR . 73.3 p -67.02 143.58 56.68 Favored 'General case' 0 N--CA 1.427 -1.606 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 -173.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.4 mtt-85 -56.95 -36.31 70.13 Favored 'General case' 0 C--O 1.26 1.652 0 C-N-CA 127.316 2.247 . . . . 0.0 112.871 173.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -135.33 -176.2 4.19 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-O 125.611 2.624 . . . . 0.0 111.454 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 -79.97 151.55 29.99 Favored 'General case' 0 C--N 1.377 1.77 0 O-C-N 119.374 -2.079 . . . . 0.0 109.331 168.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.0 m -132.11 159.9 70.19 Favored Pre-proline 0 C--N 1.362 1.119 0 O-C-N 123.941 0.775 . . . . 0.0 112.211 167.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.08 153.5 74.8 Favored 'Trans proline' 0 C--N 1.386 2.513 0 C-N-CA 124.576 3.518 . . . . 0.0 113.616 171.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.5 pp -156.47 171.62 19.96 Favored 'General case' 0 CA--C 1.594 2.637 0 C-N-CA 126.187 1.795 . . . . 0.0 115.837 -178.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 63.7 tp -125.93 117.3 23.0 Favored 'General case' 0 CA--C 1.559 1.308 0 O-C-N 126.359 2.287 . . . . 0.0 115.939 160.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -85.6 153.1 22.62 Favored 'General case' 0 C--O 1.253 1.267 0 CA-C-N 120.96 1.709 . . . . 0.0 111.377 162.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 86.6 m -143.05 153.86 43.37 Favored 'General case' 0 CA--C 1.585 2.305 0 O-C-N 125.637 1.835 . . . . 0.0 111.927 -173.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.478 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 20.2 t70 -152.84 129.52 10.82 Favored 'General case' 0 N--CA 1.398 -3.056 0 C-N-CA 124.665 1.186 . . . . 0.0 110.193 -154.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.3 tp -76.16 95.59 3.71 Favored 'General case' 0 N--CA 1.42 -1.964 0 CA-C-O 113.606 -3.093 . . . . 0.0 113.756 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.3 pt -54.71 -21.28 6.91 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.73 0 CA-C-N 124.788 3.449 . . . . 0.0 117.934 -172.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -127.28 111.91 21.37 Favored Pre-proline 0 C--O 1.275 2.446 0 CA-C-O 123.546 1.641 . . . . 0.0 110.324 157.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_exo -62.38 -22.93 74.76 Favored 'Trans proline' 0 N--CA 1.502 2.005 0 C-N-CA 124.113 3.208 . . . . 0.0 113.745 173.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -60.35 -7.04 6.64 Favored Glycine 0 C--N 1.355 1.621 0 CA-C-O 113.426 -3.986 . . . . 0.0 118.802 167.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.15 138.98 31.03 Favored 'General case' 0 CA--C 1.592 2.588 0 O-C-N 128.655 3.209 . . . . 0.0 109.865 -166.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -141.64 -40.05 0.38 Allowed 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 118.501 2.778 . . . . 0.0 118.501 -174.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -83.64 138.52 33.3 Favored 'General case' 0 C--O 1.266 1.953 0 C-N-CA 129.435 3.094 . . . . 0.0 114.746 155.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.8 pt -48.43 -13.36 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.576 1.959 0 N-CA-C 120.183 3.401 . . . . 0.0 120.183 174.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.5 p -72.38 -14.05 61.62 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 126.855 2.062 . . . . 0.0 114.13 176.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -128.4 -24.13 3.12 Favored 'General case' 0 CA--C 1.477 -1.831 0 C-N-CA 124.541 1.136 . . . . 0.0 109.237 176.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 57.3 m -68.5 121.84 17.2 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 117.027 -3.546 . . . . 0.0 113.684 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -149.79 166.87 28.14 Favored 'General case' 0 C--O 1.255 1.374 0 C-N-CA 129.133 2.973 . . . . 0.0 105.978 -173.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.478 ' HA ' ' O ' ' A' ' 84' ' ' ASP . 51.4 m-85 -149.38 160.84 43.09 Favored 'General case' 0 CA--C 1.581 2.144 0 O-C-N 119.817 -1.802 . . . . 0.0 107.794 -152.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -147.75 159.69 43.53 Favored 'General case' 0 N--CA 1.405 -2.694 0 CA-C-O 122.754 1.264 . . . . 0.0 111.058 168.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -97.93 148.39 23.5 Favored 'General case' 0 CA--C 1.578 2.052 0 C-N-CA 126.834 2.054 . . . . 0.0 105.461 -149.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -143.18 88.72 8.03 Favored Pre-proline 0 CA--C 1.583 2.239 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.142 164.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -62.79 154.23 67.39 Favored 'Trans proline' 0 C--N 1.384 2.411 0 C-N-CA 122.267 1.978 . . . . 0.0 112.082 175.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -166.3 -172.22 33.37 Favored Glycine 1 CA--C 1.582 4.251 0 O-C-N 119.197 -2.189 . . . . 0.0 111.195 178.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -157.86 104.32 1.93 Allowed 'General case' 0 C--O 1.278 2.603 0 C-N-CA 128.992 2.917 . . . . 0.0 106.932 -176.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 80.6 mtm-85 -142.64 166.23 25.21 Favored 'General case' 0 N--CA 1.501 2.106 0 C-N-CA 125.878 1.671 . . . . 0.0 113.452 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -70.32 171.89 9.17 Favored 'General case' 0 CA--C 1.584 2.264 0 C-N-CA 128.649 2.78 . . . . 0.0 109.787 156.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.438 ' CE2' ' HB3' ' A' ' 74' ' ' SER . 37.2 p90 -148.61 167.71 24.72 Favored 'General case' 0 C--O 1.3 3.735 0 O-C-N 119.688 -1.882 . . . . 0.0 115.237 -175.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.1 t -132.66 135.96 56.65 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.642 0 CA-C-O 122.666 1.222 . . . . 0.0 108.613 175.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.6 m -135.67 148.43 28.18 Favored 'Isoleucine or valine' 0 C--N 1.385 2.146 0 O-C-N 120.832 -1.167 . . . . 0.0 109.441 -174.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -101.56 153.3 19.86 Favored 'General case' 0 N--CA 1.5 2.055 0 C-N-CA 116.177 -2.209 . . . . 0.0 105.701 164.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 12.5 m -134.47 173.72 11.34 Favored 'General case' 0 C--O 1.271 2.191 0 N-CA-C 116.56 2.059 . . . . 0.0 116.56 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . 0.255 25.3 t0 -152.99 164.44 37.97 Favored 'General case' 0 C--O 1.262 1.74 0 O-C-N 127.068 2.73 . . . . 0.0 111.175 -171.031 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -88.31 170.16 11.22 Favored 'General case' 0 CA--C 1.579 2.087 0 CA-C-O 115.947 -1.978 . . . . 0.0 111.953 -162.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -63.87 128.39 35.6 Favored 'General case' 0 CA--C 1.562 1.413 0 CA-C-N 121.386 1.903 . . . . 0.0 111.906 -174.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -71.71 129.74 88.02 Favored Pre-proline 0 N--CA 1.504 2.246 0 CA-C-O 116.883 -1.532 . . . . 0.0 111.032 171.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -64.65 -13.01 36.54 Favored 'Trans proline' 0 CA--C 1.573 2.427 0 C-N-CA 123.062 2.508 . . . . 0.0 112.78 -172.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 44.3 mtm180 -111.71 9.08 20.92 Favored 'General case' 0 CA--C 1.565 1.548 0 CA-C-O 113.597 -3.096 . . . . 0.0 114.884 172.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -146.38 151.12 36.95 Favored 'General case' 0 CA--C 1.593 2.597 0 CA-C-N 122.591 2.451 . . . . 0.0 114.581 174.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.6 m 55.36 43.35 1.27 Allowed Pre-proline 0 N--CA 1.515 2.789 0 C-N-CA 126.223 1.809 . . . . 0.0 115.082 169.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -56.28 -11.07 5.46 Favored 'Trans proline' 0 CA--C 1.563 1.975 0 N-CA-C 118.081 2.3 . . . . 0.0 118.081 -176.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -74.64 -14.76 60.8 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 119.477 -2.014 . . . . 0.0 112.107 -177.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -130.46 142.47 45.58 Favored Pre-proline 0 CA--C 1.585 2.318 0 CA-C-N 120.336 1.426 . . . . 0.0 111.401 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.86 -16.34 18.41 Favored 'Trans proline' 0 CA--C 1.576 2.584 0 O-C-N 115.834 -2.771 . . . . 0.0 115.191 -176.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.4 m -141.0 154.09 20.89 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.162 0 O-C-N 127.531 3.019 . . . . 0.0 112.708 -172.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.439 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 17.2 m -131.79 151.72 79.07 Favored Pre-proline 0 CA--C 1.58 2.099 0 CA-C-N 123.813 3.006 . . . . 0.0 110.948 171.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.9 158.34 34.74 Favored 'Trans proline' 0 N--CA 1.521 3.146 0 C-N-CA 122.558 2.172 . . . . 0.0 113.645 172.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 35.7 m -138.63 -27.49 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.443 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -173.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -153.06 156.42 38.72 Favored 'General case' 0 C--N 1.282 -2.367 0 C-N-CA 131.508 3.923 . . . . 0.0 115.268 -176.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.13 130.02 40.61 Favored 'General case' 0 C--O 1.251 1.144 0 CA-C-N 124.036 3.107 . . . . 0.0 105.614 176.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -85.52 -48.96 8.45 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 129.119 2.967 . . . . 0.0 115.958 -177.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.7 t -165.05 -174.51 3.32 Favored 'General case' 0 C--O 1.192 -1.957 0 C-N-CA 125.49 1.516 . . . . 0.0 114.278 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 78.2 p -132.85 144.05 49.94 Favored 'General case' 0 C--O 1.286 2.986 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.098 165.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.276 0.2 OUTLIER . . . . . 0 N--CA 1.516 2.846 0 N-CA-C 120.185 3.402 . . . . 0.0 120.185 -176.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 203' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 . . . . . 0 CA--C 1.476 -1.887 0 CA-C-O 115.732 -2.08 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -45.36 144.49 4.54 Favored 'Trans proline' 0 N--CA 1.443 -1.493 0 C-N-CA 123.14 2.56 . . . . 0.0 114.344 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -44.03 -20.19 0.27 Allowed 'Trans proline' 1 N--CA 1.38 -5.167 1 C-N-CA 127.517 5.478 . . . . 0.0 122.332 -179.567 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -157.77 13.37 0.22 Allowed 'General case' 0 CA--C 1.581 2.156 0 O-C-N 119.133 -2.23 . . . . 0.0 115.245 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -140.01 169.19 18.16 Favored 'General case' 0 CA--C 1.59 2.519 0 C-N-CA 126.884 2.074 . . . . 0.0 108.598 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 53.2 p -89.8 157.55 17.89 Favored 'General case' 0 N--CA 1.507 2.418 0 CA-C-O 123.676 1.703 . . . . 0.0 112.958 157.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -48.72 -32.86 9.13 Favored 'General case' 0 C--N 1.406 3.045 0 O-C-N 119.597 -1.94 . . . . 0.0 114.012 174.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.66 -44.33 64.47 Favored 'General case' 0 CA--C 1.566 1.576 0 C-N-CA 128.961 2.904 . . . . 0.0 110.233 176.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -70.15 -41.41 73.9 Favored 'General case' 0 CA--C 1.558 1.265 0 CA-C-O 125.709 2.671 . . . . 0.0 111.463 -177.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.348 65.1 t-105 -71.1 -27.11 63.36 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 116.483 -3.886 . . . . 0.0 114.093 174.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -61.06 -50.4 73.44 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 119.408 -2.058 . . . . 0.0 109.807 161.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.27 -48.47 80.35 Favored 'General case' 0 C--N 1.371 1.54 0 N-CA-C 117.977 2.584 . . . . 0.0 117.977 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . 0.255 27.6 mt -57.68 -34.44 47.6 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.07 0 C-N-CA 127.773 2.429 . . . . 0.0 116.767 172.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -78.33 -22.09 48.57 Favored 'General case' 0 C--N 1.286 -2.183 0 CA-C-O 117.526 -1.226 . . . . 0.0 114.163 170.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.356 93.6 m-70 -137.26 -32.34 0.78 Allowed 'General case' 0 N--CA 1.505 2.277 0 N-CA-C 119.718 3.229 . . . . 0.0 119.718 -159.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.9 mm -119.49 113.62 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 117.889 -3.007 . . . . 0.0 114.027 -169.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -157.52 111.29 2.57 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-N 111.034 -2.803 . . . . 0.0 105.281 -170.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.287 13.1 tp -59.15 -15.62 15.51 Favored 'General case' 0 CA--C 1.565 1.546 0 N-CA-C 118.23 2.678 . . . . 0.0 118.23 175.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -156.28 67.31 4.51 Favored Pre-proline 0 C--N 1.407 3.072 0 CA-C-O 126.589 3.09 . . . . 0.0 114.147 173.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -66.92 132.63 28.81 Favored 'Trans proline' 0 C--O 1.283 2.77 1 C-N-CA 128.095 5.863 . . . . 0.0 110.635 -174.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -68.32 -176.52 1.13 Allowed 'Trans proline' 0 C--O 1.186 -2.095 0 C-N-CA 124.93 3.754 . . . . 0.0 109.989 -174.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 56.3 mmt-85 -45.71 140.25 3.56 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 126.993 3.283 . . . . 0.0 108.27 164.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 55.4 m -66.01 -26.84 67.72 Favored 'General case' 0 CA--C 1.582 2.189 0 O-C-N 117.394 -3.316 . . . . 0.0 109.632 -178.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.0 p -38.91 -46.12 1.27 Allowed 'General case' 0 C--O 1.177 -2.731 0 C-N-CA 126.462 1.905 . . . . 0.0 114.595 159.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.1 mm -89.25 -54.19 8.13 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.51 0 CA-C-O 116.492 -1.718 . . . . 0.0 110.317 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.49 -42.74 83.3 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 116.947 -1.501 . . . . 0.0 108.552 -169.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.428 ' HG3' ' CD1' ' A' ' 98' ' ' TYR . 27.2 mmm -48.81 -36.81 17.55 Favored 'General case' 0 N--CA 1.426 -1.667 0 CA-C-N 121.941 2.155 . . . . 0.0 114.97 179.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -57.27 -31.41 65.57 Favored 'General case' 0 C--O 1.274 2.355 0 C-N-CA 129.282 3.033 . . . . 0.0 112.861 -173.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.53 -29.09 9.78 Favored 'General case' 1 CA--C 1.634 4.192 0 C-N-CA 129.762 3.225 . . . . 0.0 112.452 179.384 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.9 pt -125.99 -45.14 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.414 -2.25 0 C-N-CA 126.921 2.089 . . . . 0.0 111.946 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -59.41 -11.97 5.24 Favored 'General case' 0 C--O 1.195 -1.798 0 N-CA-C 116.638 2.088 . . . . 0.0 116.638 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -116.74 -2.64 11.84 Favored 'General case' 0 CA--C 1.589 2.476 0 O-C-N 118.249 -2.782 . . . . 0.0 112.836 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -105.34 -4.66 21.26 Favored 'General case' 0 CA--C 1.572 1.812 0 C-N-CA 128.524 2.73 . . . . 0.0 113.083 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -139.13 170.84 15.23 Favored 'General case' 1 N--CA 1.56 5.063 0 C-N-CA 125.606 1.563 . . . . 0.0 110.479 178.052 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -53.28 -32.51 48.97 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 118.033 2.605 . . . . 0.0 118.033 -173.313 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -143.73 170.04 16.61 Favored 'General case' 0 C--O 1.2 -1.514 0 CA-C-O 126.633 3.111 . . . . 0.0 110.813 -167.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 89.3 m -79.94 103.26 9.71 Favored 'General case' 0 CA--C 1.565 1.54 0 O-C-N 119.333 -2.105 . . . . 0.0 108.858 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -67.72 136.13 53.8 Favored 'General case' 0 C--N 1.378 1.812 0 N-CA-C 101.812 -3.403 . . . . 0.0 101.812 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -62.02 -47.62 83.95 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 117.911 2.56 . . . . 0.0 117.911 176.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -130.24 157.42 42.55 Favored 'General case' 0 C--N 1.283 -2.317 0 O-C-N 116.939 -3.601 . . . . 0.0 106.859 -177.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -164.45 166.66 20.33 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 125.837 1.96 . . . . 0.0 115.684 159.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.8 m -139.62 133.2 30.35 Favored 'General case' 0 CA--C 1.562 1.425 0 C-N-CA 117.199 -1.8 . . . . 0.0 108.618 -165.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -136.17 109.69 7.97 Favored 'General case' 0 C--O 1.185 -2.309 0 C-N-CA 125.579 1.551 . . . . 0.0 108.86 -165.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -101.02 143.1 31.56 Favored 'General case' 0 CA--C 1.463 -2.402 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 -160.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -95.09 63.75 2.69 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 -171.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.8 t -141.23 -166.59 2.21 Favored 'General case' 0 CA--C 1.572 1.821 0 C-N-CA 126.886 2.074 . . . . 0.0 109.315 -178.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.2 p -141.55 150.4 42.06 Favored 'General case' 0 C--O 1.194 -1.822 0 O-C-N 119.283 -2.135 . . . . 0.0 114.667 -175.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.487 ' CZ ' ' HD2' ' A' ' 126' ' ' PRO . 44.3 t80 -55.04 -51.48 66.17 Favored 'General case' 0 C--O 1.188 -2.158 0 N-CA-C 115.907 1.817 . . . . 0.0 115.907 -165.106 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.89 -43.83 49.59 Favored 'General case' 0 CA--C 1.569 1.699 0 O-C-N 117.977 -2.952 . . . . 0.0 111.462 166.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -69.43 -21.65 63.73 Favored 'General case' 0 CA--C 1.505 -0.76 0 O-C-N 117.069 -3.519 . . . . 0.0 115.823 174.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 43.2 t -75.8 -40.87 39.76 Favored 'Isoleucine or valine' 0 CA--C 1.61 3.254 0 O-C-N 120.005 -1.685 . . . . 0.0 112.79 168.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.5 t -58.61 -31.12 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 118.032 -2.917 . . . . 0.0 107.472 177.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -56.1 -23.45 34.11 Favored 'General case' 0 N--CA 1.518 2.963 0 CA-C-N 122.995 2.634 . . . . 0.0 116.337 167.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.5 t -76.99 -31.99 19.19 Favored 'Isoleucine or valine' 0 C--N 1.362 1.129 0 O-C-N 116.774 -3.704 . . . . 0.0 112.222 171.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 63.8 m -70.03 -0.23 7.21 Favored 'General case' 0 CA--C 1.579 2.093 0 O-C-N 124.324 1.015 . . . . 0.0 109.027 175.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -109.12 2.12 31.4 Favored Glycine 0 C--O 1.265 2.081 0 C-N-CA 127.857 2.646 . . . . 0.0 111.571 168.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -78.57 -176.58 4.9 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 120.792 2.296 . . . . 0.0 111.44 174.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -61.37 154.59 23.65 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 119.356 -2.09 . . . . 0.0 110.928 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.1 m -84.27 126.74 33.45 Favored 'General case' 0 C--O 1.26 1.627 0 CA-C-O 127.676 3.608 . . . . 0.0 113.968 169.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 14.6 pt -124.68 -179.29 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.843 0 CA-C-N 111.772 -2.467 . . . . 0.0 111.158 166.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -125.37 144.26 50.59 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 -173.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 69.6 m -140.97 155.54 68.81 Favored Pre-proline 0 CA--C 1.578 2.048 0 C-N-CA 126.6 1.96 . . . . 0.0 112.929 -160.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -74.7 -11.74 22.1 Favored 'Trans proline' 0 C--N 1.408 3.659 0 N-CA-C 117.589 2.111 . . . . 0.0 117.589 -170.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -136.49 40.24 2.62 Favored 'General case' 0 N--CA 1.504 2.25 0 C-N-CA 118.324 -1.351 . . . . 0.0 109.843 -174.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -128.21 -4.11 5.58 Favored 'General case' 0 CA--C 1.602 2.953 0 C-N-CA 129.781 3.232 . . . . 0.0 116.273 -159.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -50.1 -35.05 23.96 Favored 'General case' 0 C--O 1.185 -2.319 0 C-N-CA 128.937 2.895 . . . . 0.0 113.134 -164.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.2 p -64.11 -10.7 24.14 Favored 'General case' 0 C--N 1.385 2.134 1 O-C-N 129.211 4.069 . . . . 0.0 118.646 177.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -135.94 -18.28 1.6 Allowed 'General case' 0 C--N 1.381 1.965 0 CA-C-O 115.679 -2.105 . . . . 0.0 111.959 167.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.423 38.9 t-20 60.91 20.69 10.97 Favored 'General case' 0 CA--C 1.569 1.676 1 C-N-CA 131.882 4.073 . . . . 0.0 115.14 -177.944 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -135.75 130.09 33.58 Favored 'General case' 0 C--N 1.28 -2.453 0 C-N-CA 126.523 1.929 . . . . 0.0 110.815 -174.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 30.3 p -154.1 171.99 18.25 Favored 'General case' 0 CA--C 1.59 2.507 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 -178.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -148.15 143.57 27.19 Favored 'General case' 0 N--CA 1.507 2.398 0 O-C-N 118.893 -2.379 . . . . 0.0 108.211 -167.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -113.96 148.76 36.34 Favored 'General case' 0 C--N 1.385 2.149 0 C-N-CA 126.461 1.904 . . . . 0.0 108.65 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.3 p -71.16 143.11 50.64 Favored 'General case' 0 N--CA 1.501 2.111 0 CA-C-O 125.346 2.498 . . . . 0.0 112.772 -171.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.5 mtt-85 -63.99 -24.51 67.75 Favored 'General case' 0 C--O 1.25 1.1 0 CA-C-O 125.73 2.681 . . . . 0.0 116.079 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -140.36 174.34 10.61 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-O 112.438 -3.649 . . . . 0.0 113.45 -177.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -81.76 150.81 27.74 Favored 'General case' 0 C--O 1.266 1.958 0 O-C-N 127.7 3.125 . . . . 0.0 113.515 166.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 104' ' ' ARG . 3.3 m -119.65 153.49 54.33 Favored Pre-proline 0 C--O 1.274 2.392 0 O-C-N 127.193 2.808 . . . . 0.0 110.628 177.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -68.61 146.61 67.89 Favored 'Trans proline' 0 CA--C 1.557 1.674 0 N-CA-C 104.324 -2.991 . . . . 0.0 104.324 155.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.436 HD22 HG21 ' A' ' 132' ' ' THR . 2.8 pp -153.08 154.16 34.29 Favored 'General case' 0 C--O 1.255 1.374 0 O-C-N 119.876 -1.765 . . . . 0.0 111.533 173.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . 0.288 19.1 tp -108.36 110.68 22.31 Favored 'General case' 0 CA--C 1.485 -1.537 0 CA-C-N 112.13 -2.305 . . . . 0.0 110.328 170.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . 0.268 70.7 t60 -88.61 141.73 28.28 Favored 'General case' 0 C--O 1.2 -1.523 0 N-CA-C 102.655 -3.091 . . . . 0.0 102.655 162.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 84.9 m -113.66 154.57 27.02 Favored 'General case' 0 C--N 1.267 -2.992 0 C-N-CA 127.918 2.487 . . . . 0.0 111.983 171.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . 0.262 57.7 t0 -139.5 173.07 11.92 Favored 'General case' 0 N--CA 1.409 -2.521 0 C-N-CA 129.961 3.304 . . . . 0.0 112.238 -178.209 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.0 tp -128.9 124.86 36.29 Favored 'General case' 0 C--O 1.266 1.969 0 C-N-CA 131.409 3.884 . . . . 0.0 108.25 -172.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.271 29.3 pt -72.73 -16.94 18.18 Favored 'Isoleucine or valine' 0 C--N 1.376 1.75 0 N-CA-C 116.424 2.009 . . . . 0.0 116.424 -171.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -141.46 106.47 6.01 Favored Pre-proline 0 C--O 1.207 -1.155 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . 0.326 9.4 Cg_endo -53.98 -12.83 3.82 Favored 'Trans proline' 1 N--CA 1.551 4.858 1 C-N-CA 126.987 5.125 . . . . 0.0 116.596 167.992 . . . . . . . . 4 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -77.26 -37.35 32.19 Favored Glycine 0 C--O 1.249 1.045 0 O-C-N 125.016 1.448 . . . . 0.0 115.408 173.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -49.94 127.32 16.17 Favored 'General case' 0 C--O 1.271 2.217 0 O-C-N 128.66 3.212 . . . . 0.0 113.49 -177.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . 0.255 40.0 mt-30 -134.64 0.64 3.01 Favored 'General case' 0 N--CA 1.529 3.513 0 O-C-N 118.196 -2.815 . . . . 0.0 116.578 -176.2 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -131.99 136.27 47.16 Favored 'General case' 0 C--O 1.27 2.18 0 C-N-CA 128.58 2.752 . . . . 0.0 105.597 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 8.8 pt -55.61 -22.05 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.499 0 O-C-N 118.884 -2.385 . . . . 0.0 115.294 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.4 p -65.39 -14.02 59.95 Favored 'General case' 1 N--CA 1.561 5.122 0 C-N-CA 125.645 1.578 . . . . 0.0 114.006 172.198 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -125.24 -44.1 1.9 Allowed 'General case' 0 N--CA 1.427 -1.606 0 C-N-CA 129.52 3.128 . . . . 0.0 116.906 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 57.8 m -53.6 126.56 22.18 Favored 'General case' 1 C--O 1.311 4.33 1 O-C-N 129.388 4.18 . . . . 0.0 114.597 173.132 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 46.5 mtt180 -148.11 153.86 39.42 Favored 'General case' 0 C--N 1.37 1.469 0 CA-C-O 125.977 2.798 . . . . 0.0 105.116 -172.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.428 ' CD1' ' HG3' ' A' ' 27' ' ' MET . 55.3 m-85 -129.97 161.09 31.7 Favored 'General case' 0 N--CA 1.434 -1.275 0 CA-C-N 113.163 -1.835 . . . . 0.0 113.992 -155.573 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -140.25 146.47 38.65 Favored 'General case' 0 C--O 1.25 1.099 0 O-C-N 125.228 1.58 . . . . 0.0 112.721 -171.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.507 ' C ' ' HD2' ' A' ' 101' ' ' ARG . 7.1 m-20 -97.99 141.21 31.23 Favored 'General case' 0 CA--C 1.469 -2.141 0 CA-C-O 125.777 2.703 . . . . 0.0 110.39 -172.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.507 ' HD2' ' C ' ' A' ' 100' ' ' ASP . 2.7 mpt_? -144.72 73.86 15.08 Favored Pre-proline 0 N--CA 1.494 1.769 0 CA-C-N 111.213 -2.722 . . . . 0.0 113.663 175.009 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -57.32 159.08 16.69 Favored 'Trans proline' 0 CA--C 1.544 1.015 0 C-N-CA 124.016 3.144 . . . . 0.0 118.608 171.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -178.89 175.57 47.42 Favored Glycine 1 CA--C 1.61 5.971 0 N-CA-C 117.987 1.955 . . . . 0.0 117.987 172.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 78' ' ' VAL . 31.3 ttt180 -122.27 111.92 17.51 Favored 'General case' 0 C--O 1.281 2.721 0 O-C-N 126.978 2.222 . . . . 0.0 113.923 178.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 86.8 mtm-85 -158.13 163.63 37.41 Favored 'General case' 0 C--O 1.247 0.973 0 CA-C-O 116.219 -1.848 . . . . 0.0 114.736 -172.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -67.77 176.58 2.44 Favored 'General case' 0 CA--C 1.573 1.835 0 C-N-CA 125.943 1.697 . . . . 0.0 106.838 165.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -160.46 170.5 20.85 Favored 'General case' 0 N--CA 1.512 2.634 0 O-C-N 124.279 0.987 . . . . 0.0 109.261 -173.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 74.7 t -147.99 130.69 7.43 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.427 0 O-C-N 125.447 1.717 . . . . 0.0 106.742 -163.58 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.2 m -142.1 169.81 13.03 Favored 'Isoleucine or valine' 0 C--O 1.258 1.529 0 C-N-CA 126.192 1.797 . . . . 0.0 111.751 -172.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -126.81 145.12 50.75 Favored 'General case' 0 C--O 1.27 2.164 0 C-N-CA 127.723 2.409 . . . . 0.0 113.035 165.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 50.9 m -133.88 159.03 41.92 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 128.84 3.837 . . . . 0.0 119.519 -167.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -130.87 158.29 40.59 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 112.606 -2.088 . . . . 0.0 113.511 -175.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -75.56 149.91 38.22 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-O 115.853 -2.023 . . . . 0.0 108.301 178.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -45.29 136.67 5.13 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 119.673 3.212 . . . . 0.0 119.673 175.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -69.63 131.85 89.5 Favored Pre-proline 0 C--N 1.267 -3.016 0 O-C-N 124.496 1.123 . . . . 0.0 108.09 175.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -67.65 -8.23 21.72 Favored 'Trans proline' 0 N--CA 1.41 -3.411 0 N-CA-C 117.919 2.238 . . . . 0.0 117.919 175.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -133.51 10.35 4.04 Favored 'General case' 0 N--CA 1.507 2.392 0 C-N-CA 128.429 2.692 . . . . 0.0 112.63 -174.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -146.75 140.4 25.84 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 128.684 2.794 . . . . 0.0 116.933 172.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.0 m 46.86 59.09 16.66 Favored Pre-proline 0 N--CA 1.495 1.778 0 N-CA-C 118.432 2.753 . . . . 0.0 118.432 168.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -29.3 -22.19 0.0 OUTLIER 'Trans proline' 0 CA--C 1.564 2.015 1 N-CA-C 126.858 5.676 . . . . 0.0 126.858 170.209 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -73.86 -24.94 59.81 Favored 'General case' 0 C--O 1.199 -1.564 0 C-N-CA 126.799 2.04 . . . . 0.0 109.454 -161.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -120.1 102.82 45.84 Favored Pre-proline 0 CA--C 1.559 1.32 0 CA-C-O 116.633 -1.651 . . . . 0.0 111.961 -166.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . 0.251 36.0 Cg_exo -49.02 -25.91 9.57 Favored 'Trans proline' 0 N--CA 1.438 -1.737 1 C-N-CA 125.307 4.005 . . . . 0.0 118.817 174.427 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.7 m -147.84 153.51 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.714 1 N-CA-C 99.488 -4.264 . . . . 0.0 99.488 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 18.3 m -138.77 143.01 35.9 Favored Pre-proline 0 CA--C 1.59 2.51 0 C-N-CA 129.958 3.303 . . . . 0.0 106.989 -175.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.487 ' HD2' ' CZ ' ' A' ' 48' ' ' PHE . 88.9 Cg_endo -79.93 142.57 15.74 Favored 'Trans proline' 0 N--CA 1.426 -2.455 0 C-N-CA 123.216 2.611 . . . . 0.0 111.846 176.123 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 31.2 m -124.38 -12.08 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.221 0 N-CA-C 119.223 3.046 . . . . 0.0 119.223 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -164.4 152.45 12.4 Favored 'General case' 0 N--CA 1.509 2.508 0 C-N-CA 125.501 1.52 . . . . 0.0 111.467 -171.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 66.6 tp -120.51 131.5 54.74 Favored 'General case' 0 N--CA 1.505 2.286 0 C-N-CA 127.842 2.457 . . . . 0.0 112.466 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -97.57 -50.45 4.49 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 14.9 t -172.74 161.16 4.68 Favored 'General case' 0 C--O 1.248 1.009 0 CA-C-O 123.738 1.732 . . . . 0.0 108.51 -164.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.436 HG21 HD22 ' A' ' 80' ' ' LEU . 77.3 p -128.66 129.83 46.38 Favored 'General case' 0 N--CA 1.522 3.13 0 N-CA-C 101.514 -3.513 . . . . 0.0 101.514 175.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 112.931 -3.414 . . . . 0.0 115.426 -173.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 203' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 . . . . . 0 CA--C 1.57 1.725 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -45.6 138.13 11.19 Favored 'Trans proline' 0 CA--C 1.549 1.235 0 N-CA-C 118.729 2.55 . . . . 0.0 118.729 156.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -52.47 -11.6 1.29 Allowed 'Trans proline' 0 C--N 1.392 2.855 0 O-C-N 127.764 3.507 . . . . 0.0 119.414 -176.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -141.35 -6.39 1.05 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 118.128 2.64 . . . . 0.0 118.128 174.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -128.15 164.64 22.04 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 120.864 -1.148 . . . . 0.0 112.959 -172.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 59.7 p -73.42 160.06 32.34 Favored 'General case' 1 N--CA 1.555 4.812 0 O-C-N 117.479 -3.263 . . . . 0.0 103.678 157.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -59.4 -28.56 67.02 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-O 115.211 -2.328 . . . . 0.0 113.12 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.47 -32.18 24.15 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 126.21 2.194 . . . . 0.0 113.104 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.17 -44.2 95.22 Favored 'General case' 0 C--O 1.274 2.349 0 O-C-N 118.952 -2.343 . . . . 0.0 108.018 168.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -60.02 -39.91 87.49 Favored 'General case' 0 C--O 1.18 -2.56 0 N-CA-C 119.474 3.139 . . . . 0.0 119.474 168.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -53.71 -46.35 70.73 Favored 'General case' 0 C--O 1.253 1.258 0 CA-C-O 127.297 3.427 . . . . 0.0 112.762 164.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.47 -36.28 63.31 Favored 'General case' 0 CA--C 1.566 1.564 0 O-C-N 117.183 -3.448 . . . . 0.0 112.085 -168.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.7 mt -68.94 -35.26 68.35 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.091 0 C-N-CA 118.121 -1.431 . . . . 0.0 112.162 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -67.01 -26.22 66.67 Favored 'General case' 0 CA--C 1.57 1.715 0 CA-C-O 114.694 -2.574 . . . . 0.0 114.348 174.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -150.8 -7.59 0.27 Allowed 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 117.659 2.466 . . . . 0.0 117.659 -161.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.401 HD12 HG21 ' A' ' 51' ' ' VAL . 32.0 mm -119.1 110.37 29.57 Favored 'Isoleucine or valine' 0 C--O 1.259 1.564 0 O-C-N 118.008 -2.932 . . . . 0.0 107.567 -174.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.2 m -150.86 124.08 8.84 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 120.146 -1.596 . . . . 0.0 112.601 155.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.6 tp -42.17 -36.49 1.2 Allowed 'General case' 0 C--N 1.385 2.152 0 N-CA-C 118.712 2.856 . . . . 0.0 118.712 169.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -142.25 80.53 14.87 Favored Pre-proline 0 C--O 1.188 -2.147 0 O-C-N 126.027 2.08 . . . . 0.0 111.483 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.45 170.58 19.6 Favored 'Trans proline' 0 CA--C 1.565 2.062 0 O-C-N 123.22 1.116 . . . . 0.0 112.209 -174.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -86.42 171.6 7.41 Favored 'Trans proline' 0 CA--C 1.567 2.153 0 C-N-CA 122.383 2.055 . . . . 0.0 110.513 176.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -49.93 138.32 15.44 Favored 'General case' 0 C--N 1.295 -1.803 0 CA-C-O 116.862 -1.542 . . . . 0.0 114.168 161.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 64.3 m -56.31 -29.41 61.2 Favored 'General case' 0 N--CA 1.527 3.406 0 O-C-N 125.846 1.966 . . . . 0.0 115.339 -169.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.8 p -45.1 -30.92 1.21 Allowed 'General case' 1 N--CA 1.539 4.022 0 N-CA-C 119.786 3.254 . . . . 0.0 119.786 166.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 30.8 mm -97.06 -45.81 12.78 Favored 'Isoleucine or valine' 1 C--O 1.142 -4.603 0 CA-C-O 126.622 3.106 . . . . 0.0 109.368 177.475 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.87 -41.55 58.15 Favored 'General case' 0 C--N 1.393 2.474 0 O-C-N 116.901 -3.624 . . . . 0.0 113.098 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 79.9 mmm -66.67 -18.44 65.37 Favored 'General case' 0 CA--C 1.572 1.812 1 CA-C-N 126.327 4.148 . . . . 0.0 110.702 -173.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -71.97 -29.58 64.4 Favored 'General case' 0 C--O 1.243 0.761 0 O-C-N 119.394 -2.066 . . . . 0.0 110.116 -163.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.3 -11.47 6.57 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 117.539 2.422 . . . . 0.0 117.539 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.8 pt -130.35 -36.73 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.261 0 C-N-CA 127.39 2.276 . . . . 0.0 112.182 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -73.23 -24.43 60.49 Favored 'General case' 0 C--N 1.379 1.871 0 O-C-N 118.362 -2.711 . . . . 0.0 111.776 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -97.3 14.34 26.41 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 126.487 1.915 . . . . 0.0 111.39 173.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -139.27 -6.17 1.4 Allowed 'General case' 1 N--CA 1.553 4.719 0 O-C-N 119.599 -1.938 . . . . 0.0 111.217 -168.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -140.15 168.2 20.36 Favored 'General case' 0 CA--C 1.591 2.552 0 O-C-N 119.344 -2.097 . . . . 0.0 108.667 -176.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.1 p-90 -55.02 -23.64 20.6 Favored 'General case' 0 CA--C 1.568 1.656 0 N-CA-C 116.454 2.02 . . . . 0.0 116.454 -167.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . 0.316 88.3 mtt180 -152.33 -179.7 7.78 Favored 'General case' 0 C--O 1.27 2.165 1 O-C-N 115.813 -4.304 . . . . 0.0 111.377 179.036 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 59.0 m -79.99 130.99 35.71 Favored 'General case' 0 CA--C 1.559 1.312 0 O-C-N 118.626 -2.547 . . . . 0.0 107.832 173.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -75.33 142.29 43.22 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 117.628 -3.17 . . . . 0.0 105.846 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -64.21 -54.46 33.21 Favored 'General case' 0 C--O 1.184 -2.38 0 CA-C-N 114.111 -1.404 . . . . 0.0 112.376 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -138.48 143.54 39.64 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 126.408 2.318 . . . . 0.0 111.428 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -141.77 172.74 12.28 Favored 'General case' 0 CA--C 1.492 -1.263 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 167.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . 0.301 1.6 m -139.78 145.21 37.92 Favored 'General case' 0 C--O 1.275 2.415 0 C-N-CA 128.45 2.7 . . . . 0.0 111.421 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -140.41 133.69 29.74 Favored 'General case' 0 C--O 1.28 2.683 0 CA-C-O 123.943 1.83 . . . . 0.0 113.555 166.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.5 mt -100.01 139.82 35.11 Favored 'General case' 0 C--N 1.378 1.838 0 O-C-N 117.105 -3.497 . . . . 0.0 109.465 -168.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -85.97 61.98 7.17 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 126.468 1.907 . . . . 0.0 107.827 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.8 t -152.67 161.0 43.15 Favored 'General case' 0 C--O 1.193 -1.892 0 CA-C-O 114.369 -2.729 . . . . 0.0 110.055 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.3 p -110.87 160.48 16.73 Favored 'General case' 0 N--CA 1.509 2.5 0 CA-C-O 127.939 3.733 . . . . 0.0 110.337 -163.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -61.83 -29.88 70.46 Favored 'General case' 0 C--O 1.261 1.685 0 O-C-N 118.19 -2.819 . . . . 0.0 112.629 -164.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.16 -25.68 59.87 Favored 'General case' 0 N--CA 1.434 -1.238 0 C-N-CA 126.119 1.768 . . . . 0.0 108.123 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -89.29 -20.29 24.27 Favored 'General case' 0 CA--C 1.557 1.25 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.401 HG21 HD12 ' A' ' 16' ' ' ILE . 59.8 t -82.25 -40.77 17.45 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.825 0 N-CA-C 104.024 -2.584 . . . . 0.0 104.024 175.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 25.3 t -57.37 -29.51 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 120.923 -1.111 . . . . 0.0 110.943 172.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -69.23 -26.02 64.6 Favored 'General case' 0 N--CA 1.508 2.466 0 O-C-N 120.096 -1.627 . . . . 0.0 113.795 170.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.2 t -78.41 -37.91 22.18 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 O-C-N 124.703 1.252 . . . . 0.0 112.787 168.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 63.1 m -59.54 5.17 0.03 OUTLIER 'General case' 0 CA--C 1.586 2.359 0 CA-C-O 125.407 2.527 . . . . 0.0 116.91 158.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -123.61 38.36 2.47 Favored Glycine 0 N--CA 1.476 1.314 0 N-CA-C 121.143 3.217 . . . . 0.0 121.143 161.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.262 44.6 t-20 -113.99 179.75 3.87 Favored 'General case' 0 N--CA 1.513 2.697 0 C-N-CA 117.295 -1.762 . . . . 0.0 107.739 169.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -56.74 148.34 20.63 Favored 'General case' 0 C--N 1.382 2.017 0 O-C-N 120.332 -1.48 . . . . 0.0 113.231 -178.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.6 m -79.84 117.37 20.66 Favored 'General case' 0 N--CA 1.405 -2.689 0 C-N-CA 127.582 2.353 . . . . 0.0 109.611 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 19.5 pt -119.0 176.32 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 130.655 3.582 . . . . 0.0 113.205 171.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.5 ptt-85 -107.48 149.36 28.05 Favored 'General case' 0 N--CA 1.51 2.571 1 O-C-N 116.278 -4.014 . . . . 0.0 113.263 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 92.3 m -144.29 150.12 47.2 Favored Pre-proline 0 CA--C 1.566 1.576 0 CA-C-N 120.016 1.28 . . . . 0.0 112.356 176.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -56.39 -24.02 49.88 Favored 'Trans proline' 0 C--O 1.216 -0.601 1 C-N-CA 127.617 5.545 . . . . 0.0 114.36 -161.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -122.84 37.56 4.38 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 -169.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -147.13 -8.66 0.45 Allowed 'General case' 0 C--N 1.369 1.441 0 O-C-N 119.92 -1.737 . . . . 0.0 112.499 -152.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 46.6 ptt85 -49.63 -19.96 0.7 Allowed 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 120.896 3.665 . . . . 0.0 120.896 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.3 p -58.07 -46.44 85.44 Favored 'General case' 0 C--N 1.286 -2.189 0 CA-C-N 122.257 2.299 . . . . 0.0 110.124 168.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -104.52 -17.97 14.53 Favored 'General case' 0 CA--C 1.563 1.446 0 CA-C-N 119.501 1.046 . . . . 0.0 110.435 176.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.2 t30 43.83 42.25 4.34 Favored 'General case' 0 C--N 1.392 2.451 0 C-N-CA 126.489 1.915 . . . . 0.0 115.592 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -141.78 103.82 4.42 Favored 'General case' 0 C--N 1.283 -2.303 0 O-C-N 126.502 2.377 . . . . 0.0 113.387 -173.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 24.7 p -125.74 175.36 7.67 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 118.79 -2.444 . . . . 0.0 109.401 174.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -145.84 162.51 37.54 Favored 'General case' 0 C--O 1.277 2.533 0 CA-C-O 115.758 -2.068 . . . . 0.0 112.66 175.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -119.63 153.14 35.97 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 126.648 1.979 . . . . 0.0 111.272 177.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.462 ' HB3' ' CE2' ' A' ' 107' ' ' TYR . 93.6 p -62.46 152.06 35.52 Favored 'General case' 0 C--O 1.26 1.654 0 C-N-CA 125.851 1.66 . . . . 0.0 114.358 175.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 66.1 mtt-85 -71.53 -9.17 57.79 Favored 'General case' 0 N--CA 1.525 3.29 0 N-CA-C 104.175 -2.528 . . . . 0.0 104.175 -175.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.449 ' HA ' ' CE2' ' A' ' 106' ' ' PHE . 0.3 OUTLIER -174.65 168.05 3.75 Favored 'General case' 0 N--CA 1.51 2.546 0 N-CA-C 115.525 1.676 . . . . 0.0 115.525 -155.857 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 64.5 mtm180 -74.33 145.75 43.64 Favored 'General case' 0 C--O 1.186 -2.242 0 O-C-N 118.727 -2.483 . . . . 0.0 112.31 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.7 m -121.21 141.57 33.3 Favored Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 118.041 -2.912 . . . . 0.0 114.557 164.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -67.83 134.61 32.85 Favored 'Trans proline' 0 C--O 1.282 2.712 0 CA-C-O 126.982 2.826 . . . . 0.0 109.698 159.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.1 pp -130.28 160.75 32.98 Favored 'General case' 0 CA--C 1.584 2.267 0 CA-C-N 111.168 -2.742 . . . . 0.0 114.381 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 tp -116.72 107.47 14.7 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 168.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -86.33 136.97 32.94 Favored 'General case' 0 CA--C 1.566 1.578 0 O-C-N 118.651 -2.53 . . . . 0.0 114.073 172.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 87.2 m -124.0 136.38 54.25 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 124.383 1.052 . . . . 0.0 110.995 -175.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -135.5 111.0 9.14 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 127.792 3.182 . . . . 0.0 111.152 -157.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.402 ' CD1' ' HB3' ' A' ' 96' ' ' CYS . 25.9 tp -75.73 86.63 2.76 Favored 'General case' 0 CA--C 1.574 1.869 0 C-N-CA 130.016 3.327 . . . . 0.0 106.839 173.388 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.307 13.4 pt -56.33 -0.26 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.516 2.825 0 C-N-CA 130.492 3.517 . . . . 0.0 119.069 -172.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -140.01 129.12 13.49 Favored Pre-proline 0 CA--C 1.612 3.36 0 N-CA-C 116.944 2.202 . . . . 0.0 116.944 -165.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -89.96 16.91 1.62 Allowed 'Trans proline' 0 CA--C 1.572 2.422 0 CA-C-O 115.313 -2.036 . . . . 0.0 115.406 -175.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -125.31 -13.47 3.52 Favored Glycine 0 C--O 1.19 -2.609 0 N-CA-C 108.713 -1.755 . . . . 0.0 108.713 173.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . 0.268 . . -57.99 143.43 43.19 Favored 'General case' 0 C--N 1.4 2.787 0 CA-C-N 119.796 1.798 . . . . 0.0 111.662 170.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -144.85 -23.3 0.51 Allowed 'General case' 0 C--N 1.305 -1.336 0 O-C-N 119.577 -1.952 . . . . 0.0 115.832 174.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -136.8 153.83 50.7 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 116.826 2.158 . . . . 0.0 116.826 174.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 27.7 pt -55.92 -21.01 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.623 0 C-N-CA 130.346 3.458 . . . . 0.0 114.497 -174.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.1 p -66.09 12.58 0.06 Allowed 'General case' 0 N--CA 1.496 1.828 0 CA-C-O 115.436 -2.221 . . . . 0.0 112.548 159.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -161.92 -39.48 0.04 OUTLIER 'General case' 0 C--N 1.281 -2.41 0 CA-C-N 123.032 2.651 . . . . 0.0 113.377 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.402 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 11.8 m -36.75 97.93 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 130.428 3.491 . . . . 0.0 113.266 165.316 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -83.18 163.93 20.49 Favored 'General case' 0 N--CA 1.528 3.461 0 C-N-CA 129.024 2.93 . . . . 0.0 108.261 162.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -144.18 151.87 40.1 Favored 'General case' 0 C--N 1.383 2.059 0 C-N-CA 125.592 1.557 . . . . 0.0 112.108 -169.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -135.6 143.95 45.87 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.907 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.64 143.69 49.68 Favored 'General case' 0 CA--C 1.58 2.131 0 C-N-CA 125.254 1.422 . . . . 0.0 111.956 175.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -137.65 89.58 15.36 Favored Pre-proline 0 CA--C 1.589 2.444 0 C-N-CA 127.668 2.387 . . . . 0.0 113.677 167.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -63.75 151.73 83.78 Favored 'Trans proline' 0 N--CA 1.491 1.367 1 C-N-CA 126.568 4.845 . . . . 0.0 110.538 174.082 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -163.73 174.81 39.95 Favored Glycine 0 N--CA 1.498 2.82 0 C-N-CA 130.652 3.977 . . . . 0.0 118.245 163.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -144.6 112.74 6.42 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 173.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 56.4 mtm-85 -148.49 176.03 10.65 Favored 'General case' 0 C--O 1.2 -1.511 0 C-N-CA 126.148 1.779 . . . . 0.0 112.783 -175.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.449 ' CE2' ' HA ' ' A' ' 76' ' ' PHE . 64.3 m-85 -85.61 175.42 8.78 Favored 'General case' 0 C--N 1.287 -2.111 0 O-C-N 118.115 -2.866 . . . . 0.0 110.295 164.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.462 ' CE2' ' HB3' ' A' ' 74' ' ' SER . 8.6 p90 -148.03 158.43 44.06 Favored 'General case' 0 C--O 1.285 2.95 0 O-C-N 125.64 1.837 . . . . 0.0 108.371 -173.053 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 23.2 t -132.25 126.15 55.36 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.053 0 O-C-N 127.083 2.74 . . . . 0.0 109.763 -170.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.7 m -127.75 176.67 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.059 0 N-CA-C 114.552 1.316 . . . . 0.0 114.552 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -136.66 151.65 49.53 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.256 -0.903 . . . . 0.0 110.088 169.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 22.2 m -134.13 -177.52 4.62 Favored 'General case' 0 C--O 1.273 2.333 0 C-N-CA 127.64 2.376 . . . . 0.0 114.223 -163.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -156.44 171.57 20.03 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 113.08 -1.873 . . . . 0.0 115.359 -175.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -73.33 142.54 47.08 Favored 'General case' 0 N--CA 1.517 2.895 0 C-N-CA 123.434 0.694 . . . . 0.0 110.78 173.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -45.13 148.84 0.54 Allowed 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 127.64 2.376 . . . . 0.0 115.883 173.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -67.98 137.9 92.4 Favored Pre-proline 0 C--O 1.258 1.543 0 N-CA-C 116.352 1.982 . . . . 0.0 116.352 169.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -69.21 -3.18 11.12 Favored 'Trans proline' 0 N--CA 1.404 -3.788 0 C-N-CA 122.332 2.021 . . . . 0.0 115.626 -172.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -145.75 10.78 1.22 Allowed 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 116.42 -1.753 . . . . 0.0 112.817 -172.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -135.59 129.02 32.26 Favored 'General case' 0 C--N 1.366 1.323 0 C-N-CA 125.82 1.648 . . . . 0.0 111.856 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 71.5 m 71.37 62.19 0.42 Allowed Pre-proline 0 N--CA 1.518 2.961 0 N-CA-C 121.083 3.735 . . . . 0.0 121.083 162.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -53.94 -12.83 3.77 Favored 'Trans proline' 0 CA--C 1.589 3.246 0 C-N-CA 124.55 3.5 . . . . 0.0 116.744 175.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -60.28 -23.51 64.21 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 116.761 -3.712 . . . . 0.0 116.878 178.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -138.37 128.66 15.16 Favored Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 118.89 -2.382 . . . . 0.0 114.087 -175.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.51 -27.1 23.32 Favored 'Trans proline' 0 C--N 1.372 1.801 0 C-N-CA 121.902 1.735 . . . . 0.0 115.606 -174.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 18.4 m -143.88 152.21 16.13 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.711 0 C-N-CA 128.417 2.687 . . . . 0.0 104.582 -178.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 3.2 m -133.15 147.17 64.1 Favored Pre-proline 0 C--O 1.271 2.214 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -72.58 149.76 49.95 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 O-C-N 124.499 1.789 . . . . 0.0 110.463 174.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 26.6 m -134.13 -12.67 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.453 0 N-CA-C 119.006 2.965 . . . . 0.0 119.006 175.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -151.37 160.17 43.9 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 125.613 1.565 . . . . 0.0 111.489 172.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 19.6 tp -126.28 107.84 10.71 Favored 'General case' 0 N--CA 1.506 2.331 0 C-N-CA 128.971 2.908 . . . . 0.0 107.573 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -82.86 -52.99 6.21 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 117.193 2.294 . . . . 0.0 117.193 -170.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.0 t -162.27 179.57 7.78 Favored 'General case' 0 CA--C 1.566 1.561 0 CA-C-N 112.887 -1.961 . . . . 0.0 113.839 -176.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 53.4 p -149.11 141.21 23.91 Favored 'General case' 0 C--O 1.253 1.284 1 C-N-CA 133.692 4.797 . . . . 0.0 111.08 -175.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.435 -1.223 1 C-N-CA 132.646 4.379 . . . . 0.0 118.849 -168.086 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 203' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.473 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 59.3 ttt180 . . . . . 0 CA--C 1.551 1.009 0 CA-C-O 119.576 -0.249 . . . . 0.0 110.622 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 1' ' ' ARG . 84.1 Cg_exo -54.89 149.89 39.96 Favored 'Trans proline' 0 N--CA 1.431 -2.182 0 C-N-CA 124.628 3.552 . . . . 0.0 111.328 -178.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -56.06 -6.62 1.34 Allowed 'Trans proline' 0 CA--C 1.546 1.108 2 C-N-CA 126.794 4.996 . . . . 0.0 123.142 -171.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -162.6 16.92 0.08 Allowed 'General case' 0 N--CA 1.428 -1.573 0 O-C-N 126.539 2.399 . . . . 0.0 113.598 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -145.25 -169.29 3.17 Favored 'General case' 0 C--N 1.391 2.379 0 CA-C-O 122.664 1.221 . . . . 0.0 109.015 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.0 p -90.87 165.98 13.32 Favored 'General case' 0 N--CA 1.507 2.421 0 C-N-CA 127.438 2.295 . . . . 0.0 114.438 148.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -50.75 -46.49 59.32 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 167.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.79 -47.69 83.99 Favored 'General case' 0 CA--C 1.581 2.148 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.253 -174.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -71.64 -32.04 67.5 Favored 'General case' 0 C--O 1.259 1.591 0 CA-C-N 112.851 -1.977 . . . . 0.0 110.345 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 48.2 t-105 -75.82 -35.13 60.1 Favored 'General case' 0 CA--C 1.474 -1.955 0 CA-C-N 122.513 2.415 . . . . 0.0 114.0 175.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -45.0 -65.11 0.57 Allowed 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 116.845 -1.55 . . . . 0.0 110.361 154.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.23 83.02 Favored 'General case' 0 N--CA 1.39 -3.448 0 C-N-CA 124.282 1.033 . . . . 0.0 111.086 -168.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.2 mt -57.04 -29.15 30.73 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.501 0 C-N-CA 125.845 1.658 . . . . 0.0 112.885 173.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -92.17 -22.48 19.82 Favored 'General case' 0 C--O 1.281 2.726 0 CA-C-O 115.241 -2.314 . . . . 0.0 112.323 -176.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -138.26 -22.95 1.02 Allowed 'General case' 0 CA--C 1.594 2.656 0 N-CA-C 119.193 3.034 . . . . 0.0 119.193 -169.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . 0.372 49.8 mm -120.53 80.66 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.582 2.208 0 CA-C-N 120.521 1.509 . . . . 0.0 108.024 -159.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.2 m -130.15 112.87 13.81 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 125.254 1.422 . . . . 0.0 109.49 -170.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 tp -67.19 -26.24 66.53 Favored 'General case' 0 CA--C 1.571 1.755 0 CA-C-N 122.472 2.397 . . . . 0.0 117.128 -165.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -149.01 57.57 3.0 Favored Pre-proline 0 C--N 1.318 -0.786 0 O-C-N 118.792 -2.443 . . . . 0.0 116.298 177.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -56.71 169.84 1.61 Allowed 'Trans proline' 0 C--O 1.272 2.202 0 C-N-CA 122.916 2.411 . . . . 0.0 111.442 -170.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . 0.281 0.3 OUTLIER -71.96 179.53 4.77 Favored 'Trans proline' 0 CA--C 1.565 2.054 1 C-N-CA 130.171 7.247 . . . . 0.0 112.868 164.336 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -54.42 147.44 13.8 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 165.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.492 ' SG ' ' HA ' ' A' ' 100' ' ' ASP . 88.9 m -47.43 -30.69 3.51 Favored 'General case' 0 C--O 1.282 2.807 0 N-CA-C 119.493 3.146 . . . . 0.0 119.493 169.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 p -52.49 -46.17 66.47 Favored 'General case' 0 C--N 1.397 2.672 0 CA-C-N 119.745 1.157 . . . . 0.0 112.301 169.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.8 mm -83.79 -43.64 17.97 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.894 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 174.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.01 -32.68 74.52 Favored 'General case' 0 C--N 1.313 -0.992 0 O-C-N 118.478 -2.639 . . . . 0.0 117.824 -175.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 84.4 mmm -57.16 -29.71 63.85 Favored 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 163.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -61.79 -22.78 65.74 Favored 'General case' 0 C--N 1.376 1.749 0 CA-C-O 117.78 -1.105 . . . . 0.0 110.821 -177.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.67 -18.48 54.1 Favored 'General case' 0 N--CA 1.513 2.68 0 N-CA-C 115.018 1.488 . . . . 0.0 115.018 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.1 pt -127.63 -38.15 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 126.097 1.759 . . . . 0.0 111.016 175.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.274 48.7 m-20 -73.73 -20.49 60.5 Favored 'General case' 0 CA--C 1.493 -1.229 0 CA-C-O 115.372 -2.251 . . . . 0.0 111.68 -175.327 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -110.19 19.02 19.36 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 123.742 2.974 . . . . 0.0 109.647 172.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -120.53 -5.71 9.78 Favored 'General case' 0 C--O 1.272 2.263 0 C-N-CA 130.325 3.45 . . . . 0.0 115.943 169.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -134.41 162.99 30.7 Favored 'General case' 0 N--CA 1.511 2.61 0 C-N-CA 127.287 2.235 . . . . 0.0 112.855 175.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -57.39 -22.66 44.3 Favored 'General case' 1 C--O 1.308 4.157 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 -171.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -139.6 156.81 46.65 Favored 'General case' 0 C--O 1.259 1.592 0 C-N-CA 127.674 2.39 . . . . 0.0 113.497 -171.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.1 m -82.21 111.82 18.66 Favored 'General case' 0 C--N 1.362 1.139 0 CA-C-O 116.11 -1.9 . . . . 0.0 113.88 174.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.682 ' HG3' ' HN ' ' A' ' 203' ' ' SGN . 78.7 tttt -54.94 135.5 48.38 Favored 'General case' 0 CA--C 1.484 -1.584 0 C-N-CA 125.23 1.412 . . . . 0.0 111.428 171.111 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -76.67 -32.95 58.27 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 129.856 3.262 . . . . 0.0 112.483 -175.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.435 ' O ' ' HE2' ' A' ' 38' ' ' LYS . 88.7 mm-40 -145.36 143.72 30.29 Favored 'General case' 0 CA--C 1.573 1.862 0 N-CA-C 104.458 -2.423 . . . . 0.0 104.458 -173.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.412 ' ND2' ' CE1' ' A' ' 43' ' ' PHE . 15.5 t30 -155.64 161.24 40.83 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.183 -1.573 . . . . 0.0 109.273 168.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -136.62 137.72 40.41 Favored 'General case' 0 C--O 1.267 1.988 0 CA-C-N 112.515 -2.13 . . . . 0.0 112.16 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.412 ' CE1' ' ND2' ' A' ' 41' ' ' ASN . 14.9 m-85 -131.08 143.13 50.44 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 128.228 2.611 . . . . 0.0 107.613 -172.117 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mp -134.44 137.87 44.33 Favored 'General case' 0 C--N 1.401 2.821 0 C-N-CA 117.361 -1.735 . . . . 0.0 108.608 -165.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -96.36 42.51 1.09 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.346 1.458 . . . . 0.0 114.21 -174.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 t -106.01 167.39 9.83 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 129.957 3.303 . . . . 0.0 110.262 165.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.3 p -95.79 160.71 14.34 Favored 'General case' 0 CA--C 1.583 2.235 0 CA-C-N 121.867 2.121 . . . . 0.0 110.142 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -54.76 -52.95 60.96 Favored 'General case' 0 C--N 1.388 2.259 0 CA-C-N 114.876 -1.057 . . . . 0.0 113.061 -176.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.55 -29.06 67.65 Favored 'General case' 0 C--N 1.388 2.259 0 O-C-N 118.696 -2.503 . . . . 0.0 115.019 176.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -62.0 -38.91 90.37 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 120.892 1.678 . . . . 0.0 114.893 164.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.1 t -71.98 -34.84 52.06 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.018 0 CA-C-O 116.888 -1.53 . . . . 0.0 111.52 171.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.6 t -67.06 -35.14 73.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 CA-C-N 121.68 2.036 . . . . 0.0 110.137 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -66.83 -28.95 68.77 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-O 111.703 -3.999 . . . . 0.0 114.234 164.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.79 -37.37 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.322 0 CA-C-N 123.434 2.834 . . . . 0.0 114.947 163.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 35.3 m -50.09 -28.79 7.72 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 119.381 -2.074 . . . . 0.0 115.504 165.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.21 17.18 59.59 Favored Glycine 0 C--N 1.373 2.62 0 CA-C-O 114.418 -3.434 . . . . 0.0 116.576 170.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -84.54 166.41 17.23 Favored 'General case' 0 CA--C 1.593 2.604 0 CA-C-O 125.11 2.386 . . . . 0.0 108.552 167.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -44.67 147.8 0.57 Allowed 'General case' 0 CA--C 1.551 1.013 0 O-C-N 118.809 -2.432 . . . . 0.0 115.872 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.5 m -102.09 142.69 32.97 Favored 'General case' 0 C--O 1.273 2.294 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 -167.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.5 pt -150.65 -179.03 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.582 2.2 0 CA-C-N 113.237 -1.801 . . . . 0.0 109.791 -171.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.9 ptt-85 -115.99 152.68 33.04 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 126.926 2.09 . . . . 0.0 114.438 176.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 83.5 m -147.11 153.95 45.78 Favored Pre-proline 0 C--N 1.409 3.167 0 CA-C-O 124.22 1.962 . . . . 0.0 109.346 -171.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -74.04 -8.94 21.72 Favored 'Trans proline' 0 CA--C 1.591 3.356 0 O-C-N 116.965 -2.176 . . . . 0.0 117.726 -165.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -120.25 37.05 4.35 Favored 'General case' 0 C--O 1.265 1.882 0 O-C-N 126.581 2.425 . . . . 0.0 114.471 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -140.66 0.42 1.63 Allowed 'General case' 0 C--O 1.263 1.793 0 O-C-N 118.599 -2.563 . . . . 0.0 111.795 -152.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -57.03 -37.06 71.22 Favored 'General case' 0 CA--C 1.597 2.772 0 N-CA-C 117.668 2.47 . . . . 0.0 117.668 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.2 p -41.96 -30.0 0.25 Allowed 'General case' 0 C--O 1.176 -2.766 0 C-N-CA 127.824 2.45 . . . . 0.0 116.554 175.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -134.51 5.3 3.44 Favored 'General case' 0 N--CA 1.519 2.988 0 O-C-N 126.426 2.329 . . . . 0.0 115.563 168.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 31.44 52.92 0.2 Allowed 'General case' 0 N--CA 1.536 3.872 1 C-N-CA 131.749 4.02 . . . . 0.0 113.209 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -159.65 125.82 4.34 Favored 'General case' 0 CA--C 1.595 2.696 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 15.7 p -138.58 176.69 8.47 Favored 'General case' 0 CA--C 1.57 1.739 0 O-C-N 126.499 2.374 . . . . 0.0 112.704 169.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -155.33 163.43 40.13 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-O 116.589 -1.672 . . . . 0.0 112.48 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -130.62 151.49 51.02 Favored 'General case' 1 N--CA 1.54 4.067 0 C-N-CA 129.207 3.003 . . . . 0.0 116.009 170.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.9 p -64.65 154.05 37.64 Favored 'General case' 0 N--CA 1.432 -1.366 0 N-CA-C 116.733 2.123 . . . . 0.0 116.733 -173.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -76.25 -21.66 56.07 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 -169.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -150.58 178.55 8.97 Favored 'General case' 0 N--CA 1.416 -2.142 0 C-N-CA 128.787 2.835 . . . . 0.0 115.49 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -84.12 155.09 22.79 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-O 122.318 1.056 . . . . 0.0 109.86 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.8 m -149.95 148.4 24.97 Favored Pre-proline 0 CA--C 1.563 1.463 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 171.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -54.02 146.69 46.55 Favored 'Trans proline' 0 N--CA 1.498 1.789 0 O-C-N 118.748 -1.238 . . . . 0.0 111.865 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 pp -155.52 -171.91 3.95 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 125.41 1.484 . . . . 0.0 111.558 176.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 102' ' ' PRO . 47.5 tp -144.55 135.7 25.22 Favored 'General case' 0 CA--C 1.602 2.965 0 O-C-N 128.292 3.495 . . . . 0.0 108.98 -178.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -122.08 150.55 41.99 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 127.398 2.279 . . . . 0.0 109.296 169.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 62.9 m -129.19 153.42 47.75 Favored 'General case' 0 C--O 1.183 -2.441 0 CA-C-N 119.913 1.233 . . . . 0.0 111.671 -172.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -139.37 125.66 20.18 Favored 'General case' 0 CA--C 1.57 1.732 0 CA-C-O 125.735 2.683 . . . . 0.0 109.443 -175.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.0 tp -72.31 94.31 1.59 Allowed 'General case' 0 CA--C 1.595 2.699 0 C-N-CA 129.434 3.093 . . . . 0.0 107.064 172.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 28.6 pt -58.35 -25.42 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 CA-C-O 112.923 -3.417 . . . . 0.0 110.219 -161.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -125.1 104.54 29.36 Favored Pre-proline 0 N--CA 1.415 -2.196 0 CA-C-N 123.377 2.808 . . . . 0.0 111.495 -156.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . 0.284 94.8 Cg_exo -37.8 -39.23 0.78 Allowed 'Trans proline' 0 C--O 1.273 2.257 1 C-N-CA 128.021 5.814 . . . . 0.0 117.81 177.42 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -75.25 -29.36 60.39 Favored Glycine 1 CA--C 1.617 6.445 0 N-CA-C 119.258 2.463 . . . . 0.0 119.258 -177.364 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . 0.334 . . -74.15 130.96 40.79 Favored 'General case' 0 C--O 1.252 1.185 0 C-N-CA 125.386 1.474 . . . . 0.0 109.391 -171.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -138.08 -21.56 1.08 Allowed 'General case' 0 N--CA 1.51 2.528 0 CA-C-O 115.104 -2.379 . . . . 0.0 114.319 171.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -93.82 133.15 37.52 Favored 'General case' 0 CA--C 1.572 1.801 0 CA-C-O 124.839 2.257 . . . . 0.0 110.961 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.1 pt -41.58 -29.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.38 1.898 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 176.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 84.9 p -65.47 -24.56 67.19 Favored 'General case' 0 C--O 1.27 2.177 0 CA-C-N 121.115 1.779 . . . . 0.0 113.204 178.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -115.14 -37.18 4.17 Favored 'General case' 0 N--CA 1.517 2.899 0 N-CA-C 105.432 -2.062 . . . . 0.0 105.432 -160.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 74.4 m -53.28 136.13 37.34 Favored 'General case' 0 CA--C 1.62 3.652 0 CA-C-O 122.396 1.093 . . . . 0.0 112.73 -174.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -136.3 158.22 44.94 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 105.364 -2.087 . . . . 0.0 105.364 173.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -152.03 149.0 28.37 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 128.156 3.41 . . . . 0.0 113.471 -156.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -141.62 142.34 33.44 Favored 'General case' 0 N--CA 1.411 -2.406 0 C-N-CA 127.062 2.145 . . . . 0.0 114.466 -174.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.492 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 3.1 m-20 -84.13 158.56 21.33 Favored 'General case' 0 C--O 1.267 2.0 0 O-C-N 119.856 -1.777 . . . . 0.0 110.374 -172.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -145.41 82.86 9.4 Favored Pre-proline 0 CA--C 1.495 -1.137 0 C-N-CA 128.24 2.616 . . . . 0.0 108.598 162.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 81' ' ' LEU . 29.7 Cg_exo -58.95 179.6 0.19 Allowed 'Trans proline' 0 N--CA 1.5 1.885 1 C-N-CA 125.395 4.063 . . . . 0.0 110.582 174.787 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 161.86 -170.13 37.47 Favored Glycine 0 N--CA 1.515 3.951 0 CA-C-O 116.231 -2.427 . . . . 0.0 113.441 172.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 66.3 ttt-85 -146.57 123.05 11.05 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 121.029 2.415 . . . . 0.0 112.498 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -156.04 161.43 40.43 Favored 'General case' 0 N--CA 1.531 3.614 0 CA-C-N 124.878 3.49 . . . . 0.0 111.661 -166.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -66.3 162.76 19.45 Favored 'General case' 0 CA--C 1.569 1.687 0 CA-C-N 120.997 1.726 . . . . 0.0 107.639 162.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -139.45 156.9 46.66 Favored 'General case' 0 N--CA 1.399 -2.983 0 O-C-N 118.299 -2.751 . . . . 0.0 109.911 -173.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.6 t -120.98 135.3 61.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 -175.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.1 m -140.1 168.9 16.86 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.86 0 O-C-N 118.079 -2.888 . . . . 0.0 109.63 -166.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -131.87 146.51 52.16 Favored 'General case' 0 CA--C 1.588 2.43 0 O-C-N 120.751 -1.218 . . . . 0.0 109.822 159.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 24.3 m -133.91 163.22 30.0 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-O 125.381 2.515 . . . . 0.0 109.275 -176.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -143.9 167.9 21.22 Favored 'General case' 0 N--CA 1.424 -1.766 0 O-C-N 119.899 -1.751 . . . . 0.0 113.368 175.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -58.79 142.57 49.86 Favored 'General case' 0 C--N 1.278 -2.506 0 C-N-CA 127.87 2.468 . . . . 0.0 114.989 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . 0.305 11.0 ptm180 -35.44 121.78 0.6 Allowed 'General case' 0 C--N 1.304 -1.383 0 O-C-N 127.403 2.939 . . . . 0.0 113.162 171.019 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -49.14 130.69 16.18 Favored Pre-proline 0 C--N 1.307 -1.261 0 C-N-CA 129.903 3.281 . . . . 0.0 111.364 166.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . 0.324 55.1 Cg_endo -61.49 -10.24 15.7 Favored 'Trans proline' 0 C--O 1.187 -2.051 0 C-N-CA 123.585 2.857 . . . . 0.0 117.037 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 59.1 mtm180 -134.85 8.68 3.54 Favored 'General case' 0 CA--C 1.563 1.453 0 O-C-N 117.768 -3.083 . . . . 0.0 114.982 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . 0.277 33.3 t70 -139.22 156.05 47.36 Favored 'General case' 0 N--CA 1.513 2.699 0 N-CA-C 119.543 3.164 . . . . 0.0 119.543 177.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 38.0 m 33.81 58.87 1.89 Allowed Pre-proline 0 CA--C 1.563 1.445 0 C-N-CA 128.692 2.797 . . . . 0.0 117.795 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -49.47 -22.49 6.27 Favored 'Trans proline' 1 N--CA 1.575 6.321 0 CA-C-N 122.301 1.857 . . . . 0.0 111.7 174.098 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.466 ' HA ' ' NE ' ' A' ' 121' ' ' ARG 0.269 2.3 tpm_? -62.73 -17.86 61.58 Favored 'General case' 0 CA--C 1.559 1.321 0 C-N-CA 127.975 2.51 . . . . 0.0 112.796 177.529 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -125.72 92.28 46.76 Favored Pre-proline 0 C--N 1.287 -2.145 0 C-N-CA 129.046 2.939 . . . . 0.0 116.655 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . 0.285 71.8 Cg_endo -65.93 -19.92 58.06 Favored 'Trans proline' 0 CA--C 1.586 3.098 1 C-N-CA 126.148 4.566 . . . . 0.0 113.126 -169.83 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 1.5 m -136.34 151.82 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.715 0 CA-C-N 111.632 -2.531 . . . . 0.0 105.978 175.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 9.7 m -150.42 143.75 16.77 Favored Pre-proline 0 N--CA 1.394 -3.246 0 CA-C-O 115.183 -2.342 . . . . 0.0 113.382 -172.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -72.14 152.14 56.08 Favored 'Trans proline' 0 N--CA 1.425 -2.513 0 C-N-CA 124.001 3.134 . . . . 0.0 109.348 -174.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 26.7 m -128.46 -11.78 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.533 3.688 0 C-N-CA 125.408 1.483 . . . . 0.0 110.792 174.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -167.25 172.21 10.06 Favored 'General case' 0 CA--C 1.58 2.121 0 O-C-N 116.386 -3.946 . . . . 0.0 110.595 -167.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.7 tp -147.37 122.58 10.21 Favored 'General case' 0 C--O 1.208 -1.114 0 C-N-CA 129.457 3.103 . . . . 0.0 108.097 175.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -113.49 -26.75 8.16 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 119.531 3.16 . . . . 0.0 119.531 -167.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.5 t -174.37 176.63 2.38 Favored 'General case' 0 CA--C 1.495 -1.173 0 C-N-CA 126.666 1.987 . . . . 0.0 112.778 171.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 43.1 p -143.19 146.99 34.18 Favored 'General case' 0 CA--C 1.596 2.748 0 CA-C-O 114.502 -2.666 . . . . 0.0 113.971 174.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.254 1.332 0 CA-C-O 116.046 -1.931 . . . . 0.0 113.834 -168.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 203' ' ' SGN . . . . . 0.682 ' HN ' ' HG3' ' A' ' 38' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 33.0 ttt85 . . . . . 0 CA--C 1.506 -0.719 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -49.66 138.7 32.26 Favored 'Trans proline' 0 C--N 1.392 2.822 0 C-N-CA 121.549 1.499 . . . . 0.0 109.242 169.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.35 68.2 Cg_exo -36.35 -34.1 0.15 Allowed 'Trans proline' 0 N--CA 1.417 -2.99 0 C-N-CA 123.681 2.921 . . . . 0.0 119.167 175.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -143.17 15.96 1.89 Allowed 'General case' 0 C--O 1.187 -2.2 0 O-C-N 118.627 -2.546 . . . . 0.0 115.953 -173.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -139.26 166.27 24.99 Favored 'General case' 0 C--O 1.194 -1.848 0 CA-C-O 126.358 2.98 . . . . 0.0 110.659 -169.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.3 p -80.63 164.88 22.54 Favored 'General case' 0 C--N 1.407 3.085 1 O-C-N 116.262 -4.024 . . . . 0.0 109.152 148.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -62.27 -31.98 72.63 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 174.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.48 -28.44 31.18 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 119.958 -1.714 . . . . 0.0 111.588 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -63.62 -38.3 90.6 Favored 'General case' 0 C--N 1.385 2.116 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 160.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -60.26 -48.18 82.84 Favored 'General case' 0 CA--C 1.575 1.908 0 O-C-N 118.181 -2.824 . . . . 0.0 112.187 172.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -52.62 -41.63 63.87 Favored 'General case' 0 CA--C 1.561 1.374 0 CA-C-O 116.488 -1.72 . . . . 0.0 111.463 174.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.79 -49.06 64.41 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-O 114.367 -2.73 . . . . 0.0 104.743 -177.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.5 mt -59.82 -46.51 93.61 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 CA-C-O 126.287 2.946 . . . . 0.0 116.113 -161.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -65.9 -37.98 87.51 Favored 'General case' 0 N--CA 1.411 -2.395 0 CA-C-N 112.531 -2.122 . . . . 0.0 116.083 175.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -133.58 -4.93 2.91 Favored 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 119.595 3.184 . . . . 0.0 119.595 -156.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.6 mm -125.81 108.13 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 C-N-CA 124.911 1.284 . . . . 0.0 111.866 174.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.8 m -149.02 129.34 13.76 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.086 2.155 . . . . 0.0 109.41 172.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 tp -73.17 -41.4 63.92 Favored 'General case' 0 N--CA 1.504 2.248 0 C-N-CA 128.111 2.564 . . . . 0.0 113.559 -176.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.5 p-10 -140.84 52.37 3.05 Favored Pre-proline 0 CA--C 1.578 2.032 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -173.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -69.1 165.53 29.91 Favored 'Trans proline' 0 N--CA 1.503 2.076 0 C-N-CA 122.331 2.021 . . . . 0.0 113.815 -161.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -79.23 -177.8 4.15 Favored 'Trans proline' 0 C--O 1.257 1.461 0 C-N-CA 124.148 3.232 . . . . 0.0 107.858 167.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.1 mtt-85 -63.92 155.4 30.9 Favored 'General case' 1 N--CA 1.545 4.306 0 C-N-CA 125.245 1.418 . . . . 0.0 113.909 176.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 73.2 m -58.2 -32.3 68.15 Favored 'General case' 0 N--CA 1.428 -1.575 0 O-C-N 116.614 -3.803 . . . . 0.0 119.685 -176.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.5 p -40.76 -26.83 0.04 OUTLIER 'General case' 0 N--CA 1.505 2.28 0 N-CA-C 119.194 3.035 . . . . 0.0 119.194 159.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 23.4 mm -109.74 -47.74 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.303 0 CA-C-N 118.82 0.736 . . . . 0.0 110.275 170.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.56 -43.23 45.88 Favored 'General case' 0 CA--C 1.562 1.411 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -176.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 10.2 mmm -65.13 -22.3 66.91 Favored 'General case' 0 N--CA 1.509 2.519 0 O-C-N 121.66 -0.65 . . . . 0.0 110.155 -176.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -63.73 -22.53 66.95 Favored 'General case' 0 C--N 1.38 1.901 0 CA-C-O 117.605 -1.188 . . . . 0.0 112.6 -174.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.55 -27.26 64.39 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 176.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.441 HD13 ' H ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -111.32 -25.31 3.57 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.303 0 N-CA-C 119.471 3.138 . . . . 0.0 119.471 160.249 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -83.0 -23.63 33.23 Favored 'General case' 0 CA--C 1.588 2.432 0 O-C-N 118.464 -2.647 . . . . 0.0 115.404 -174.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -100.92 22.74 11.67 Favored 'General case' 0 C--O 1.196 -1.743 0 CA-C-N 114.724 -1.125 . . . . 0.0 113.435 166.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -136.72 -59.57 0.71 Allowed 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 114.621 -2.609 . . . . 0.0 107.368 -169.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -65.02 163.27 15.04 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 122.27 2.305 . . . . 0.0 111.779 172.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -69.28 -7.86 40.77 Favored 'General case' 0 CA--C 1.579 2.086 0 C-N-CA 128.535 2.734 . . . . 0.0 113.024 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -147.96 146.31 28.92 Favored 'General case' 0 CA--C 1.596 2.749 0 C-N-CA 126.295 1.838 . . . . 0.0 110.653 -170.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 88.2 m -65.94 127.19 31.07 Favored 'General case' 0 N--CA 1.502 2.158 0 CA-C-O 124.698 2.19 . . . . 0.0 111.521 167.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -75.61 132.78 40.86 Favored 'General case' 0 N--CA 1.516 2.872 0 C-N-CA 127.575 2.35 . . . . 0.0 111.272 172.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -72.25 -53.79 11.48 Favored 'General case' 0 C--N 1.373 1.609 0 CA-C-N 112.836 -1.984 . . . . 0.0 108.232 -168.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -128.13 152.69 47.71 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-O 116.373 -1.775 . . . . 0.0 115.315 -175.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -157.61 155.51 30.26 Favored 'General case' 0 C--O 1.269 2.09 0 CA-C-N 125.13 3.604 . . . . 0.0 111.592 170.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.2 m -126.65 141.65 51.79 Favored 'General case' 0 N--CA 1.506 2.364 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -178.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.427 ' HE1' ' SG ' ' A' ' 83' ' ' CYS . 94.7 m-85 -133.77 125.55 28.75 Favored 'General case' 0 C--O 1.195 -1.795 0 CA-C-O 117.261 -1.352 . . . . 0.0 109.59 -172.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.1 mt -103.74 135.43 45.3 Favored 'General case' 0 N--CA 1.424 -1.727 0 CA-C-O 115.776 -2.059 . . . . 0.0 108.959 -166.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . 0.314 63.8 mtp180 -82.1 64.73 6.91 Favored 'General case' 0 N--CA 1.511 2.578 0 C-N-CA 128.898 2.879 . . . . 0.0 109.749 174.192 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.7 t -133.7 -165.63 1.66 Allowed 'General case' 0 C--N 1.371 1.514 0 C-N-CA 126.36 1.864 . . . . 0.0 109.771 170.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.6 p -140.44 145.52 37.09 Favored 'General case' 0 CA--C 1.607 3.172 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -51.13 -45.96 61.79 Favored 'General case' 0 CA--C 1.481 -1.703 0 CA-C-O 117.115 -1.422 . . . . 0.0 111.385 -175.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.8 1.08 1.45 Allowed 'General case' 0 N--CA 1.414 -2.273 0 O-C-N 125.973 2.046 . . . . 0.0 112.146 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -119.04 -6.93 10.44 Favored 'General case' 0 N--CA 1.431 -1.4 0 CA-C-O 124.797 2.237 . . . . 0.0 115.426 172.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.6 t -84.66 -28.07 6.81 Favored 'Isoleucine or valine' 0 C--N 1.388 2.272 0 C-N-CA 130.655 3.582 . . . . 0.0 111.732 169.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.2 t -55.96 -35.05 39.48 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.197 0 O-C-N 118.176 -2.828 . . . . 0.0 112.045 173.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -68.13 -25.11 65.12 Favored 'General case' 0 N--CA 1.507 2.409 0 O-C-N 127.811 3.194 . . . . 0.0 117.619 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.1 t -67.69 -30.92 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.382 0 O-C-N 117.226 -3.421 . . . . 0.0 114.94 174.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 72.6 m -65.79 -31.75 72.89 Favored 'General case' 0 C--O 1.208 -1.08 0 CA-C-O 115.619 -2.134 . . . . 0.0 106.088 175.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.02 -13.69 45.23 Favored Glycine 0 C--N 1.38 3.004 0 CA-C-O 127.006 3.559 . . . . 0.0 112.698 -168.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -55.07 173.06 0.1 Allowed 'General case' 0 C--N 1.301 -1.513 0 O-C-N 117.396 -3.414 . . . . 0.0 111.056 163.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -51.97 142.85 14.85 Favored 'General case' 0 N--CA 1.512 2.657 1 O-C-N 116.068 -4.145 . . . . 0.0 117.003 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.6 m -82.02 143.71 31.38 Favored 'General case' 0 N--CA 1.495 1.786 1 O-C-N 113.878 -5.514 . . . . 0.0 114.517 -178.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . 0.269 7.3 pt -137.06 -174.5 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.204 -1.333 0 C-N-CA 131.216 3.807 . . . . 0.0 109.966 177.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.2 ptt-85 -131.84 141.73 49.51 Favored 'General case' 0 N--CA 1.478 0.942 1 C-N-CA 131.711 4.004 . . . . 0.0 116.056 173.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 76.7 m -128.35 155.53 78.31 Favored Pre-proline 0 N--CA 1.392 -3.35 0 C-N-CA 128.893 2.877 . . . . 0.0 115.824 -174.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -91.29 18.19 1.27 Allowed 'Trans proline' 0 CA--C 1.547 1.128 0 O-C-N 124.902 2.001 . . . . 0.0 112.931 -162.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -140.08 39.75 1.95 Allowed 'General case' 0 N--CA 1.508 2.454 0 C-N-CA 124.877 1.271 . . . . 0.0 109.014 -177.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -154.15 12.42 0.42 Allowed 'General case' 0 N--CA 1.519 2.984 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -160.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -51.42 -18.58 1.08 Allowed 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 115.706 1.743 . . . . 0.0 115.706 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.9 p -56.12 -24.45 40.7 Favored 'General case' 0 N--CA 1.51 2.568 0 CA-C-O 125.31 2.481 . . . . 0.0 117.423 171.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -154.7 -10.67 0.13 Allowed 'General case' 0 C--O 1.245 0.863 0 O-C-N 119.772 -1.83 . . . . 0.0 114.468 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 58.8 t30 54.89 47.12 22.98 Favored 'General case' 0 CA--C 1.492 -1.276 0 O-C-N 118.843 -2.411 . . . . 0.0 116.135 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -155.66 120.95 4.86 Favored 'General case' 0 C--O 1.253 1.281 0 O-C-N 117.645 -3.159 . . . . 0.0 108.586 175.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 24.6 p -138.23 -175.61 4.17 Favored 'General case' 0 CA--C 1.621 3.704 0 C-N-CA 129.48 3.112 . . . . 0.0 105.723 174.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -157.45 172.97 17.62 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 125.573 1.549 . . . . 0.0 108.663 -170.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -149.28 157.2 43.15 Favored 'General case' 0 CA--C 1.57 1.715 0 O-C-N 118.245 -2.784 . . . . 0.0 115.483 178.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 27.6 p -70.64 153.52 42.77 Favored 'General case' 0 CA--C 1.49 -1.346 0 C-N-CA 126.019 1.727 . . . . 0.0 113.864 -171.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.9 mtt-85 -86.68 -13.25 46.0 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 118.93 -2.356 . . . . 0.0 111.606 -175.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -164.78 170.71 15.15 Favored 'General case' 0 CA--C 1.58 2.11 0 C-N-CA 126.383 1.873 . . . . 0.0 114.623 -170.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -88.44 143.7 26.83 Favored 'General case' 0 CA--C 1.498 -1.045 0 C-N-CA 125.322 1.449 . . . . 0.0 110.904 -169.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.9 m -127.88 144.99 53.39 Favored Pre-proline 0 N--CA 1.519 3.021 0 C-N-CA 130.055 3.342 . . . . 0.0 110.329 173.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -57.05 144.14 90.76 Favored 'Trans proline' 0 N--CA 1.441 -1.595 1 C-N-CA 126.353 4.702 . . . . 0.0 109.474 162.167 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -134.22 173.62 11.4 Favored 'General case' 0 C--O 1.272 2.264 1 C-N-CA 134.108 4.963 . . . . 0.0 113.457 175.773 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.8 tp -128.77 154.38 46.44 Favored 'General case' 0 N--CA 1.509 2.479 0 C-N-CA 125.787 1.635 . . . . 0.0 107.355 157.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -136.14 139.25 42.77 Favored 'General case' 0 C--O 1.257 1.493 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 167.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.427 ' SG ' ' HE1' ' A' ' 43' ' ' PHE . 69.3 m -109.5 148.73 30.7 Favored 'General case' 0 CA--C 1.491 -1.308 0 C-N-CA 125.792 1.637 . . . . 0.0 111.059 -173.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -144.94 88.88 1.92 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 127.0 2.12 . . . . 0.0 110.325 -159.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 17.7 tp -61.74 108.91 1.08 Allowed 'General case' 0 CA--C 1.577 2.001 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 177.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.5 pt -59.65 -9.83 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.581 2.146 0 N-CA-C 117.737 2.495 . . . . 0.0 117.737 -177.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -127.35 122.5 22.91 Favored Pre-proline 0 CA--C 1.592 2.585 0 O-C-N 119.246 -2.159 . . . . 0.0 110.52 -171.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -65.83 -13.69 41.03 Favored 'Trans proline' 0 C--O 1.196 -1.583 1 C-N-CA 125.45 4.1 . . . . 0.0 112.805 172.18 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -108.63 -25.55 5.68 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 126.208 1.861 . . . . 0.0 115.049 -167.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.02 128.16 34.79 Favored 'General case' 0 CA--C 1.573 1.863 0 C-N-CA 118.971 -1.092 . . . . 0.0 109.61 -174.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -138.82 -2.66 1.7 Allowed 'General case' 0 C--O 1.262 1.736 0 C-N-CA 125.183 1.393 . . . . 0.0 108.847 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -114.4 134.27 55.11 Favored 'General case' 0 C--O 1.284 2.905 0 N-CA-C 116.644 2.091 . . . . 0.0 116.644 164.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 37.2 pt -63.42 -10.44 6.59 Favored 'Isoleucine or valine' 0 C--O 1.273 2.316 0 C-N-CA 124.135 0.974 . . . . 0.0 112.178 -168.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.3 p -48.59 -31.09 6.08 Favored 'General case' 0 CA--C 1.467 -2.246 0 N-CA-C 117.561 2.43 . . . . 0.0 117.561 162.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -139.48 -20.64 0.93 Allowed 'General case' 0 CA--C 1.574 1.903 0 CA-C-O 116.457 -1.735 . . . . 0.0 113.291 -164.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 4.2 m -70.93 120.65 16.81 Favored 'General case' 0 C--O 1.27 2.15 0 O-C-N 125.518 1.761 . . . . 0.0 111.628 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.2 mtt-85 -128.04 165.22 20.73 Favored 'General case' 0 C--O 1.257 1.494 0 C-N-CA 126.805 2.042 . . . . 0.0 111.025 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -144.55 162.11 37.41 Favored 'General case' 0 CA--C 1.586 2.341 0 CA-C-O 123.882 1.801 . . . . 0.0 107.999 -156.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.04 157.9 36.74 Favored 'General case' 0 C--N 1.385 2.118 0 CA-C-N 112.016 -2.356 . . . . 0.0 116.072 163.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -112.8 106.61 14.98 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-O 126.467 3.032 . . . . 0.0 105.918 -163.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -103.8 88.56 1.91 Allowed Pre-proline 0 N--CA 1.534 3.768 0 O-C-N 117.559 -3.213 . . . . 0.0 113.226 172.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -46.99 173.37 0.03 OUTLIER 'Trans proline' 0 CA--C 1.586 3.123 0 C-N-CA 123.366 2.711 . . . . 0.0 116.575 165.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 177.58 -173.01 45.77 Favored Glycine 1 CA--C 1.581 4.159 0 O-C-N 120.066 -1.646 . . . . 0.0 112.125 156.226 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 56.7 ttt-85 -140.26 103.27 4.55 Favored 'General case' 0 C--N 1.4 2.784 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 -176.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 86.7 mtm-85 -151.43 150.08 30.01 Favored 'General case' 0 N--CA 1.509 2.524 0 N-CA-C 116.327 1.973 . . . . 0.0 116.327 -166.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -62.27 168.64 3.3 Favored 'General case' 0 N--CA 1.499 1.98 0 CA-C-N 112.871 -1.968 . . . . 0.0 109.244 169.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -151.15 154.45 36.93 Favored 'General case' 0 C--O 1.21 -1.0 0 O-C-N 120.399 -1.438 . . . . 0.0 112.893 -177.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.49 132.27 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.184 0 N-CA-C 105.793 -1.929 . . . . 0.0 105.793 -165.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.7 m -148.96 157.88 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 CA-C-O 124.542 2.115 . . . . 0.0 108.348 -164.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -123.47 162.76 22.21 Favored 'General case' 0 C--N 1.373 1.617 0 O-C-N 119.144 -2.223 . . . . 0.0 110.551 167.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 10.6 m -134.95 -179.66 5.75 Favored 'General case' 0 CA--C 1.587 2.402 0 CA-C-N 113.094 -1.867 . . . . 0.0 112.959 -162.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -144.13 164.12 31.59 Favored 'General case' 0 C--O 1.208 -1.127 0 C-N-CA 131.147 3.779 . . . . 0.0 113.454 -176.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -62.11 146.94 49.04 Favored 'General case' 0 C--O 1.262 1.711 0 C-N-CA 125.287 1.435 . . . . 0.0 107.435 169.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -45.06 141.67 2.2 Favored 'General case' 0 N--CA 1.503 2.197 0 CA-C-N 122.199 2.272 . . . . 0.0 112.723 163.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -63.68 152.66 85.74 Favored Pre-proline 0 C--O 1.263 1.779 0 C-N-CA 125.512 1.525 . . . . 0.0 110.696 -171.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -47.97 -27.1 8.3 Favored 'Trans proline' 0 CA--C 1.559 1.766 0 C-N-CA 124.007 3.138 . . . . 0.0 116.118 168.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 61.3 mtm180 -147.97 -32.61 0.26 Allowed 'General case' 0 N--CA 1.531 3.617 0 N-CA-C 119.397 3.11 . . . . 0.0 119.397 168.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -65.02 159.49 23.02 Favored 'General case' 0 N--CA 1.514 2.754 0 CA-C-N 121.869 2.122 . . . . 0.0 116.201 -177.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 48.9 m 40.63 49.91 3.46 Favored Pre-proline 0 C--N 1.369 1.437 0 N-CA-C 118.877 2.917 . . . . 0.0 118.877 170.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -73.14 -10.84 24.79 Favored 'Trans proline' 0 C--N 1.321 -0.919 0 N-CA-C 118.827 2.587 . . . . 0.0 118.827 -169.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -42.47 -28.99 0.25 Allowed 'General case' 0 CA--C 1.475 -1.922 0 CA-C-O 114.727 -2.558 . . . . 0.0 112.742 158.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -124.08 134.62 25.56 Favored Pre-proline 0 N--CA 1.516 2.857 0 CA-C-N 124.05 3.114 . . . . 0.0 112.535 -174.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -73.74 -11.72 24.07 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 O-C-N 127.874 3.565 . . . . 0.0 115.939 -176.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.2 m -141.94 163.42 19.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.771 1 C-N-CA 132.544 4.338 . . . . 0.0 109.041 -174.012 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 10.0 m -136.56 147.95 61.78 Favored Pre-proline 0 N--CA 1.509 2.519 0 CA-C-O 116.7 -1.619 . . . . 0.0 113.814 156.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -84.44 135.75 6.22 Favored 'Trans proline' 0 CA--C 1.573 2.435 1 C-N-CA 125.559 4.173 . . . . 0.0 108.31 168.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 18.0 m -146.03 6.37 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.265 1.903 1 O-C-N 129.146 4.029 . . . . 0.0 118.57 -163.045 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -163.26 136.95 5.84 Favored 'General case' 0 CA--C 1.569 1.693 1 O-C-N 115.013 -4.805 . . . . 0.0 109.141 172.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 57.8 tp -84.59 140.56 31.3 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 128.453 2.701 . . . . 0.0 112.078 169.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . 0.267 23.0 t70 -113.83 -54.48 2.6 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 176.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 14.1 t -165.22 175.68 9.06 Favored 'General case' 0 CA--C 1.593 2.632 0 O-C-N 123.973 0.796 . . . . 0.0 110.62 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 49.6 p -131.8 146.93 52.42 Favored 'General case' 0 CA--C 1.58 2.133 0 C-N-CA 126.772 2.029 . . . . 0.0 109.712 163.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.518 2.929 0 N-CA-C 119.355 3.094 . . . . 0.0 119.355 -175.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 203' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 . . . . . 0 CA--C 1.551 1.012 0 CA-C-O 119.637 -0.22 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -42.87 145.78 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 125.079 2.094 . . . . 0.0 112.624 172.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -42.97 -11.22 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.384 1 C-N-CA 127.806 5.671 . . . . 0.0 119.764 -175.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -163.86 5.01 0.04 OUTLIER 'General case' 0 C--O 1.263 1.77 0 O-C-N 118.151 -2.843 . . . . 0.0 114.87 -174.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -147.4 164.21 34.04 Favored 'General case' 0 N--CA 1.504 2.239 0 CA-C-O 123.983 1.849 . . . . 0.0 109.172 178.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.7 p -67.56 167.25 13.29 Favored 'General case' 0 CA--C 1.571 1.775 0 O-C-N 120.234 -1.541 . . . . 0.0 110.23 164.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -78.01 -30.55 50.08 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 117.513 -3.242 . . . . 0.0 105.245 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.43 -42.56 78.28 Favored 'General case' 0 N--CA 1.42 -1.975 0 C-N-CA 127.194 2.198 . . . . 0.0 110.469 171.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -73.42 -44.14 58.97 Favored 'General case' 0 CA--C 1.586 2.328 0 C-N-CA 125.468 1.507 . . . . 0.0 109.851 176.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -69.87 -41.82 74.3 Favored 'General case' 0 N--CA 1.483 1.185 1 O-C-N 116.119 -4.113 . . . . 0.0 114.453 -173.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -53.05 -48.05 67.96 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-O 123.367 1.556 . . . . 0.0 112.842 168.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . 0.257 . . -58.42 -59.01 6.01 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-O 114.843 -2.503 . . . . 0.0 113.76 170.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.82 -16.01 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.279 0 CA-C-N 121.327 1.876 . . . . 0.0 112.407 -177.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -90.95 -14.16 32.1 Favored 'General case' 0 C--N 1.377 1.778 0 C-N-CA 115.958 -2.297 . . . . 0.0 113.163 174.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -169.05 -5.21 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.232 0 CA-C-N 124.832 3.469 . . . . 0.0 115.707 -145.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.424 HG23 HG23 ' A' ' 46' ' ' THR . 16.7 mm -127.72 99.51 5.3 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.842 0 CA-C-N 124.196 3.18 . . . . 0.0 110.877 -178.195 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -147.57 105.95 3.78 Favored 'General case' 0 C--O 1.208 -1.118 0 O-C-N 118.068 -2.895 . . . . 0.0 108.219 -170.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.1 tp -50.46 -42.06 53.82 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 129.385 3.074 . . . . 0.0 115.223 -174.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . 0.318 44.6 p-10 -147.85 54.64 1.93 Allowed Pre-proline 0 C--O 1.195 -1.816 0 CA-C-N 119.421 1.01 . . . . 0.0 108.36 -162.461 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -68.67 167.87 21.63 Favored 'Trans proline' 0 N--CA 1.506 2.255 1 C-N-CA 125.776 4.318 . . . . 0.0 114.576 -157.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -85.91 -166.07 0.31 Allowed 'Trans proline' 0 C--O 1.253 1.252 0 C-N-CA 122.626 2.217 . . . . 0.0 113.141 176.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.4 mtt-85 -68.1 147.72 51.94 Favored 'General case' 0 N--CA 1.417 -2.125 0 C-N-CA 124.759 1.224 . . . . 0.0 110.659 171.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 79.0 m -52.25 -23.06 5.07 Favored 'General case' 0 N--CA 1.507 2.41 0 N-CA-C 119.284 3.068 . . . . 0.0 119.284 168.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.5 p -50.4 -37.81 39.58 Favored 'General case' 0 C--N 1.307 -1.247 0 C-N-CA 125.637 1.575 . . . . 0.0 113.144 163.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.6 mm -99.73 -53.57 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.295 0 N-CA-C 105.67 -1.974 . . . . 0.0 105.67 -172.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . 0.269 . . -66.71 -33.73 76.29 Favored 'General case' 0 CA--C 1.602 2.947 0 C-N-CA 124.543 1.137 . . . . 0.0 113.552 -169.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.7 mmm -71.06 -14.54 62.36 Favored 'General case' 0 N--CA 1.533 3.702 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 176.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -58.08 -34.05 69.74 Favored 'General case' 0 N--CA 1.507 2.42 0 N-CA-C 105.789 -1.93 . . . . 0.0 105.789 177.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.294 . . -57.15 -15.1 4.84 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 126.165 1.786 . . . . 0.0 114.506 -173.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.75 -30.16 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 CA-C-N 120.994 1.724 . . . . 0.0 108.549 167.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -86.46 -22.01 26.72 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-O 126.418 3.009 . . . . 0.0 117.208 -168.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -88.48 -7.75 56.02 Favored 'General case' 0 CA--C 1.581 2.146 0 O-C-N 116.681 -3.762 . . . . 0.0 108.509 171.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -111.57 -19.12 12.64 Favored 'General case' 0 N--CA 1.527 3.397 0 C-N-CA 130.28 3.432 . . . . 0.0 115.335 -169.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -118.21 153.16 34.34 Favored 'General case' 0 C--O 1.252 1.237 0 CA-C-O 124.591 2.139 . . . . 0.0 113.266 170.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -65.06 -3.38 3.56 Favored 'General case' 0 N--CA 1.51 2.544 0 N-CA-C 120.005 3.335 . . . . 0.0 120.005 -170.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -145.98 168.28 21.25 Favored 'General case' 0 C--N 1.368 1.405 0 CA-C-O 125.483 2.563 . . . . 0.0 111.479 158.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 76.9 m -61.9 112.7 2.42 Favored 'General case' 0 N--CA 1.511 2.611 0 O-C-N 117.496 -3.253 . . . . 0.0 112.55 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -62.15 122.28 15.19 Favored 'General case' 0 CA--C 1.597 2.782 0 CA-C-O 114.971 -2.442 . . . . 0.0 112.424 165.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -55.59 -32.6 63.2 Favored 'General case' 0 N--CA 1.414 -2.268 0 N-CA-C 118.652 2.834 . . . . 0.0 118.652 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -147.09 154.17 40.82 Favored 'General case' 0 C--N 1.381 1.944 0 N-CA-C 117.154 2.279 . . . . 0.0 117.154 171.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -163.43 170.95 16.67 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 118.624 -1.231 . . . . 0.0 112.331 164.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 75.9 m -136.59 151.63 49.57 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-O 122.748 1.261 . . . . 0.0 110.273 -173.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -132.44 119.93 21.3 Favored 'General case' 0 CA--C 1.488 -1.442 0 CA-C-N 109.837 -3.347 . . . . 0.0 111.771 -178.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.4 mt -95.52 124.9 39.77 Favored 'General case' 0 C--O 1.197 -1.666 0 N-CA-C 105.444 -2.058 . . . . 0.0 105.444 -167.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -76.96 74.31 3.55 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-O 117.384 -1.293 . . . . 0.0 110.301 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.424 HG23 HG23 ' A' ' 16' ' ' ILE . 14.1 t -149.2 -173.53 4.4 Favored 'General case' 0 N--CA 1.515 2.798 0 C-N-CA 128.515 2.726 . . . . 0.0 111.478 -175.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 34.5 p -137.07 133.29 35.25 Favored 'General case' 0 C--O 1.272 2.238 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -49.92 -36.31 27.11 Favored 'General case' 0 C--O 1.248 0.997 0 O-C-N 118.017 -2.927 . . . . 0.0 115.741 -162.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.4 -27.32 62.28 Favored 'General case' 0 N--CA 1.537 3.908 0 CA-C-O 115.487 -2.197 . . . . 0.0 116.291 174.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -62.32 -43.57 98.51 Favored 'General case' 0 N--CA 1.404 -2.728 0 O-C-N 126.935 2.647 . . . . 0.0 111.016 166.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.2 t -61.36 -32.42 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.537 3.913 0 CA-C-O 116.86 -1.543 . . . . 0.0 110.28 174.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.7 t -69.24 -35.11 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.808 0 CA-C-O 113.523 -3.132 . . . . 0.0 114.86 169.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -63.32 -30.71 71.79 Favored 'General case' 0 C--O 1.191 -2.023 0 C-N-CA 115.059 -2.657 . . . . 0.0 111.8 167.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 32.5 t -67.28 -27.94 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.593 0 O-C-N 119.365 -2.084 . . . . 0.0 111.153 175.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . 0.286 28.5 m -61.41 -8.45 4.07 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 127.373 2.269 . . . . 0.0 113.681 165.557 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -112.17 -20.11 6.85 Favored Glycine 0 CA--C 1.459 -3.412 0 CA-C-O 116.851 -2.083 . . . . 0.0 116.855 165.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -52.14 163.65 0.36 Allowed 'General case' 0 CA--C 1.59 2.514 0 CA-C-N 120.147 1.973 . . . . 0.0 114.034 165.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -57.66 158.46 6.08 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 -160.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 74.1 m -89.29 131.33 35.43 Favored 'General case' 0 CA--C 1.575 1.913 0 CA-C-O 123.345 1.545 . . . . 0.0 107.674 -176.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.9 pt -133.78 177.4 7.09 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.774 0 C-N-CA 130.326 3.45 . . . . 0.0 109.03 172.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -122.61 142.6 50.46 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 119.002 -2.311 . . . . 0.0 111.789 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 89.9 m -131.07 147.27 65.61 Favored Pre-proline 0 CA--C 1.561 1.369 0 N-CA-C 108.174 -1.046 . . . . 0.0 108.174 -164.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -67.39 -2.24 7.89 Favored 'Trans proline' 0 C--N 1.299 -2.046 1 C-N-CA 128.566 6.177 . . . . 0.0 117.038 -171.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -135.6 34.54 2.95 Favored 'General case' 0 C--O 1.294 3.414 0 C-N-CA 126.285 1.834 . . . . 0.0 109.879 -169.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.276 9.4 t-20 -131.97 16.3 4.69 Favored 'General case' 0 C--O 1.277 2.531 0 CA-C-O 115.354 -2.26 . . . . 0.0 114.562 -156.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 -51.77 -11.54 0.15 Allowed 'General case' 0 N--CA 1.497 1.905 0 C-N-CA 128.021 2.528 . . . . 0.0 114.921 175.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.5 p -72.75 -22.95 60.78 Favored 'General case' 0 C--O 1.244 0.779 0 O-C-N 125.24 1.587 . . . . 0.0 109.696 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -155.54 -20.56 0.11 Allowed 'General case' 0 CA--C 1.575 1.929 0 N-CA-C 119.634 3.198 . . . . 0.0 119.634 -178.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.353 11.6 t-20 76.72 10.58 2.72 Favored 'General case' 1 N--CA 1.561 5.116 0 CA-C-N 113.784 -1.553 . . . . 0.0 115.121 177.972 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -131.62 145.48 51.71 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 125.963 1.705 . . . . 0.0 107.309 -177.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . 0.268 22.8 p -151.23 -179.34 7.26 Favored 'General case' 0 C--O 1.202 -1.438 1 C-N-CA 132.714 4.406 . . . . 0.0 107.657 170.942 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -150.89 165.8 32.53 Favored 'General case' 0 CA--C 1.588 2.411 1 CA-C-N 105.816 -5.175 . . . . 0.0 115.036 -177.349 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -145.85 145.36 30.72 Favored 'General case' 0 N--CA 1.531 3.577 0 C-N-CA 130.257 3.423 . . . . 0.0 112.206 -174.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.2 p -57.09 140.28 49.78 Favored 'General case' 1 C--N 1.237 -4.31 0 C-N-CA 126.111 1.765 . . . . 0.0 112.798 -175.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -52.69 -40.27 62.76 Favored 'General case' 0 CA--C 1.557 1.248 0 O-C-N 128.658 3.724 . . . . 0.0 113.94 168.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -139.63 159.46 42.11 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.191 -1.568 . . . . 0.0 109.754 -174.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 73.6 mtm180 -65.51 161.43 20.14 Favored 'General case' 0 N--CA 1.426 -1.662 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 173.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.3 m -133.46 145.14 55.2 Favored Pre-proline 0 C--N 1.359 0.993 0 CA-C-N 114.237 -1.347 . . . . 0.0 114.483 161.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -40.25 153.55 0.06 OUTLIER 'Trans proline' 0 C--O 1.205 -1.134 0 O-C-N 115.919 -2.727 . . . . 0.0 111.042 153.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.74 179.07 9.56 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 117.332 2.345 . . . . 0.0 117.332 171.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.8 tp -134.18 104.64 6.28 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 124.313 1.045 . . . . 0.0 112.267 178.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -75.44 154.01 37.31 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 117.174 -1.393 . . . . 0.0 112.147 163.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 60.5 m -142.83 147.61 35.71 Favored 'General case' 0 CA--C 1.475 -1.929 0 C-N-CA 125.096 1.359 . . . . 0.0 109.452 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -156.64 123.52 5.18 Favored 'General case' 0 C--N 1.315 -0.904 0 O-C-N 125.108 1.505 . . . . 0.0 110.532 -153.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.9 tp -73.59 103.47 4.21 Favored 'General case' 0 CA--C 1.578 2.042 0 O-C-N 127.872 3.233 . . . . 0.0 111.023 177.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.366 32.1 pt -74.04 32.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.266 1.968 0 C-N-CA 128.381 2.672 . . . . 0.0 112.493 174.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -148.02 106.39 3.65 Favored Pre-proline 0 C--O 1.256 1.402 0 CA-C-O 115.13 -2.367 . . . . 0.0 111.031 169.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -77.2 19.81 0.69 Allowed 'Trans proline' 0 CA--C 1.561 1.875 0 O-C-N 125.486 2.308 . . . . 0.0 115.631 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -136.14 -13.13 1.05 Allowed Glycine 0 N--CA 1.418 -2.515 1 CA-C-O 111.308 -5.162 . . . . 0.0 112.327 164.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.14 149.03 29.23 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 123.246 3.523 . . . . 0.0 112.588 170.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -143.84 -8.37 0.72 Allowed 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 175.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -122.61 137.51 54.87 Favored 'General case' 0 N--CA 1.499 2.0 0 C-N-CA 130.101 3.361 . . . . 0.0 110.31 -174.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 38.0 pt -63.72 -18.79 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.329 0 O-C-N 116.394 -3.941 . . . . 0.0 113.185 -171.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 64.5 p -56.29 -18.08 9.55 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 118.025 2.602 . . . . 0.0 118.025 160.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -132.52 -13.14 3.01 Favored 'General case' 0 C--N 1.382 2.015 0 N-CA-C 116.307 1.966 . . . . 0.0 116.307 -177.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 72.4 m -74.15 108.16 6.78 Favored 'General case' 0 CA--C 1.565 1.545 0 CA-C-N 111.642 -2.526 . . . . 0.0 109.808 178.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -117.81 146.65 43.7 Favored 'General case' 0 C--O 1.193 -1.87 0 CA-C-N 112.97 -1.923 . . . . 0.0 109.082 -179.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -128.68 162.11 28.12 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 119.392 -2.067 . . . . 0.0 109.052 -163.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -129.17 139.44 51.9 Favored 'General case' 0 C--O 1.248 0.993 0 C-N-CA 127.247 2.219 . . . . 0.0 108.463 169.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . 0.294 1.6 m-20 -66.1 111.66 3.5 Favored 'General case' 0 C--N 1.288 -2.067 0 C-N-CA 129.58 3.152 . . . . 0.0 110.78 158.174 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -109.27 99.95 38.76 Favored Pre-proline 0 CA--C 1.558 1.276 0 C-N-CA 127.074 2.15 . . . . 0.0 107.788 162.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -71.88 171.9 15.64 Favored 'Trans proline' 0 C--O 1.292 3.203 1 C-N-CA 125.47 4.113 . . . . 0.0 113.819 176.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -175.96 -173.08 41.33 Favored Glycine 0 N--CA 1.512 3.755 1 C-N-CA 130.87 4.081 . . . . 0.0 114.79 174.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -157.67 115.25 3.04 Favored 'General case' 0 C--N 1.403 2.907 0 CA-C-O 113.451 -3.166 . . . . 0.0 106.595 175.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 85.5 mtm-85 -150.2 148.39 28.86 Favored 'General case' 0 CA--C 1.569 1.708 1 O-C-N 131.406 5.441 . . . . 0.0 107.074 -168.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -65.48 164.67 13.49 Favored 'General case' 0 N--CA 1.502 2.168 0 C-N-CA 124.91 1.284 . . . . 0.0 108.415 156.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -151.67 151.63 31.72 Favored 'General case' 0 N--CA 1.52 3.049 0 O-C-N 120.037 -1.664 . . . . 0.0 112.118 -170.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 39.6 t -128.22 125.38 64.17 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.286 0 O-C-N 125.013 1.446 . . . . 0.0 110.476 -160.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.6 m -132.64 170.5 19.84 Favored 'Isoleucine or valine' 0 C--O 1.275 2.423 0 O-C-N 120.862 -1.149 . . . . 0.0 108.315 -171.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -122.08 159.42 27.14 Favored 'General case' 0 N--CA 1.512 2.639 0 CA-C-O 122.664 1.221 . . . . 0.0 109.071 159.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 22.4 m -134.84 151.91 51.31 Favored 'General case' 0 N--CA 1.436 -1.145 0 O-C-N 119.457 -2.027 . . . . 0.0 112.304 -173.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -118.26 170.49 8.85 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 120.873 -1.142 . . . . 0.0 112.432 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -57.98 144.71 38.56 Favored 'General case' 0 N--CA 1.401 -2.884 0 C-N-CA 128.256 2.622 . . . . 0.0 111.337 167.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -39.83 150.25 0.05 Allowed 'General case' 0 N--CA 1.52 3.074 0 CA-C-N 113.557 -1.656 . . . . 0.0 114.447 170.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -72.35 143.62 85.81 Favored Pre-proline 0 N--CA 1.524 3.241 0 CA-C-O 114.852 -2.499 . . . . 0.0 108.019 175.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -47.05 -28.3 7.19 Favored 'Trans proline' 0 N--CA 1.428 -2.341 0 C-N-CA 124.702 3.601 . . . . 0.0 113.237 175.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 34.7 mtm105 -133.47 -37.88 0.94 Allowed 'General case' 0 N--CA 1.513 2.692 0 O-C-N 119.522 -1.986 . . . . 0.0 111.135 -166.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.6 158.81 15.29 Favored 'General case' 0 CA--C 1.574 1.873 0 CA-C-O 124.752 2.215 . . . . 0.0 106.674 -161.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.9 m 42.46 67.62 3.31 Favored Pre-proline 0 C--O 1.293 3.361 0 N-CA-C 116.632 2.086 . . . . 0.0 116.632 175.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -76.16 -2.96 13.23 Favored 'Trans proline' 0 CA--C 1.58 2.79 0 N-CA-C 119.195 2.729 . . . . 0.0 119.195 -169.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . 0.288 23.7 ttm180 -73.6 -14.37 61.17 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.01 -1.681 . . . . 0.0 114.575 174.107 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 11.0 m-30 -114.63 132.17 23.02 Favored Pre-proline 0 N--CA 1.42 -1.954 0 C-N-CA 127.337 2.255 . . . . 0.0 106.97 -173.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -85.78 -30.58 0.42 Allowed 'Trans proline' 0 N--CA 1.417 -3.003 0 C-N-CA 124.809 3.673 . . . . 0.0 112.645 166.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.44 145.3 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 CA-C-O 116.491 -1.719 . . . . 0.0 107.799 175.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 19.4 m -133.92 149.15 70.94 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 127.789 3.181 . . . . 0.0 118.261 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -79.41 144.53 18.08 Favored 'Trans proline' 0 C--O 1.28 2.625 0 C-N-CA 124.413 3.409 . . . . 0.0 108.156 -171.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 16.1 m -138.08 -32.18 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.268 2.079 0 C-N-CA 126.754 2.022 . . . . 0.0 114.453 -165.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -144.04 162.53 35.98 Favored 'General case' 0 C--N 1.294 -1.82 0 C-N-CA 125.47 1.508 . . . . 0.0 109.762 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 19.9 tp -137.02 130.58 31.61 Favored 'General case' 0 C--O 1.196 -1.735 0 CA-C-O 112.039 -3.838 . . . . 0.0 106.87 -176.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.75 -46.15 3.16 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 123.001 2.637 . . . . 0.0 114.606 -170.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.0 t -148.06 171.01 16.52 Favored 'General case' 0 CA--C 1.598 2.79 0 O-C-N 124.548 1.155 . . . . 0.0 109.006 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 33.5 p -137.03 138.86 40.93 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 103.181 -2.896 . . . . 0.0 103.181 167.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.502 2.171 0 C-N-CA 125.104 1.362 . . . . 0.0 114.516 -173.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 203' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.406 ' HA ' ' HD2' ' A' ' 2' ' ' PRO . 41.2 ttt85 . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 1' ' ' ARG . 33.6 Cg_endo -59.04 164.82 9.58 Favored 'Trans proline' 0 CA--C 1.592 3.411 0 O-C-N 125.329 2.226 . . . . 0.0 112.577 -175.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 0.0 OUTLIER -47.89 -44.25 27.71 Favored 'Trans proline' 0 N--CA 1.503 2.055 0 C-N-CA 125.167 3.912 . . . . 0.0 116.873 -144.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -131.22 14.6 5.12 Favored 'General case' 0 CA--C 1.567 1.633 0 CA-C-O 113.019 -3.372 . . . . 0.0 117.784 175.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -139.95 163.8 31.69 Favored 'General case' 0 C--N 1.308 -1.232 1 O-C-N 129.3 4.125 . . . . 0.0 110.485 -165.511 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 0.265 3.0 p -75.41 152.5 38.0 Favored 'General case' 0 N--CA 1.533 3.705 0 O-C-N 119.438 -2.039 . . . . 0.0 112.763 153.386 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -58.87 -37.01 75.57 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 117.333 -1.318 . . . . 0.0 113.214 -175.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . 0.298 . . -54.27 -53.78 49.01 Favored 'General case' 0 C--N 1.365 1.242 0 O-C-N 126.958 2.661 . . . . 0.0 115.216 166.46 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -56.81 -58.02 9.94 Favored 'General case' 0 CA--C 1.444 -3.113 0 CA-C-O 124.391 2.043 . . . . 0.0 114.725 175.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.268 4.8 t-105 -46.37 -28.42 1.34 Allowed 'General case' 0 C--N 1.416 3.464 0 O-C-N 118.174 -2.829 . . . . 0.0 115.398 168.217 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.429 ' CE2' ' HB2' ' A' ' 126' ' ' PRO . 35.9 t80 -76.19 -36.72 58.54 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 126.372 1.869 . . . . 0.0 110.561 175.351 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.06 -34.32 24.25 Favored 'General case' 0 N--CA 1.416 -2.131 0 O-C-N 125.66 1.85 . . . . 0.0 109.749 -170.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.5 mt -60.1 -38.46 77.02 Favored 'Isoleucine or valine' 0 C--N 1.359 1.004 0 C-N-CA 127.468 2.307 . . . . 0.0 114.65 170.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -85.95 -19.46 30.42 Favored 'General case' 0 CA--C 1.578 2.032 0 CA-C-O 115.13 -2.367 . . . . 0.0 109.634 -176.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -147.18 -14.21 0.41 Allowed 'General case' 0 CA--C 1.588 2.44 0 CA-C-N 124.319 3.236 . . . . 0.0 115.649 -164.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 46.2 mm -133.41 112.61 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 1 O-C-N 114.711 -4.993 . . . . 0.0 110.402 -163.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.8 m -155.57 108.75 2.74 Favored 'General case' 0 CA--C 1.475 -1.936 0 N-CA-C 101.861 -3.385 . . . . 0.0 101.861 -170.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.5 tp -41.35 -59.0 1.68 Allowed 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 122.202 2.273 . . . . 0.0 113.299 164.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -131.91 76.88 73.13 Favored Pre-proline 0 N--CA 1.489 1.494 1 O-C-N 129.578 4.299 . . . . 0.0 110.6 -175.126 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -59.43 156.88 33.7 Favored 'Trans proline' 0 C--N 1.379 2.179 1 C-N-CA 127.719 5.613 . . . . 0.0 112.62 176.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -77.73 172.57 15.5 Favored 'Trans proline' 0 C--N 1.352 0.717 0 CA-C-N 121.108 1.432 . . . . 0.0 113.598 156.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -41.42 136.03 1.87 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 126.903 2.627 . . . . 0.0 112.336 168.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 83.5 m -44.18 -35.7 2.34 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-O 113.902 -2.951 . . . . 0.0 112.314 174.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.6 p -52.63 -28.43 21.36 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 122.778 2.535 . . . . 0.0 112.069 172.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.5 mm -94.52 -43.97 13.27 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.143 0 C-N-CA 127.978 2.511 . . . . 0.0 112.673 178.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.81 -20.32 59.82 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 122.371 1.082 . . . . 0.0 113.399 -162.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 68.0 mmm -84.27 -19.13 34.36 Favored 'General case' 0 CA--C 1.499 -1.004 0 C-N-CA 125.78 1.632 . . . . 0.0 109.025 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -72.86 -20.12 61.17 Favored 'General case' 0 C--N 1.371 1.53 0 O-C-N 119.201 -2.187 . . . . 0.0 106.34 -176.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.53 -31.33 6.33 Favored 'General case' 0 C--O 1.201 -1.456 0 CA-C-O 117.523 -1.227 . . . . 0.0 113.228 165.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.3 pt -128.52 -39.47 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.225 0 CA-C-N 122.132 2.242 . . . . 0.0 112.578 -173.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.299 2.4 m-20 -63.91 -29.34 70.52 Favored 'General case' 0 N--CA 1.427 -1.593 0 O-C-N 118.549 -2.594 . . . . 0.0 117.116 171.083 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -108.83 45.65 1.02 Allowed 'General case' 0 C--O 1.203 -1.378 0 O-C-N 125.852 1.97 . . . . 0.0 108.712 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -156.25 -30.24 0.09 Allowed 'General case' 1 CA--C 1.632 4.132 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -91.0 161.92 14.94 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 128.533 2.733 . . . . 0.0 110.23 165.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 25.3 p-90 -66.37 -21.5 66.23 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 -172.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -145.97 175.95 10.06 Favored 'General case' 0 N--CA 1.528 3.459 0 CA-C-O 124.684 2.183 . . . . 0.0 107.798 176.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 38.9 m -85.75 125.93 33.6 Favored 'General case' 0 CA--C 1.565 1.553 0 CA-C-O 113.641 -3.076 . . . . 0.0 111.842 -168.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -64.09 127.79 32.98 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-N 122.242 2.292 . . . . 0.0 111.942 162.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -59.79 -51.63 68.91 Favored 'General case' 0 CA--C 1.585 2.308 0 C-N-CA 126.351 1.86 . . . . 0.0 111.934 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -134.46 151.07 50.92 Favored 'General case' 0 C--O 1.256 1.429 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.309 -173.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -148.35 171.04 16.64 Favored 'General case' 0 CA--C 1.591 2.556 0 O-C-N 124.782 1.301 . . . . 0.0 110.634 165.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.7 m -139.13 136.5 35.2 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 126.075 1.75 . . . . 0.0 113.927 168.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -114.77 131.16 56.88 Favored 'General case' 0 CA--C 1.58 2.113 0 N-CA-C 104.717 -2.327 . . . . 0.0 104.717 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.5 mt -87.32 131.28 34.31 Favored 'General case' 0 N--CA 1.504 2.23 0 C-N-CA 129.42 3.088 . . . . 0.0 109.129 170.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . 0.343 15.2 mtp180 -78.63 64.59 3.69 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 130.076 3.35 . . . . 0.0 113.145 173.599 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.347 12.9 t -147.88 179.49 7.68 Favored 'General case' 0 C--O 1.186 -2.26 0 C-N-CA 130.454 3.502 . . . . 0.0 115.468 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.0 p -109.51 146.93 33.78 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 128.828 2.851 . . . . 0.0 113.732 -175.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -57.64 -37.11 72.76 Favored 'General case' 0 C--N 1.384 2.073 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 -174.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.93 -29.16 64.92 Favored 'General case' 0 N--CA 1.398 -3.055 0 N-CA-C 116.535 2.05 . . . . 0.0 116.535 173.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -90.18 -23.5 21.29 Favored 'General case' 0 C--O 1.278 2.558 0 O-C-N 119.742 -1.849 . . . . 0.0 108.731 -175.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.7 t -71.5 -27.55 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.331 0 CA-C-N 122.19 2.268 . . . . 0.0 110.385 163.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.419 HG21 ' CD1' ' A' ' 122' ' ' TYR . 6.1 t -64.14 -23.56 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 O-C-N 116.713 -3.742 . . . . 0.0 116.269 164.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -65.55 -35.49 81.01 Favored 'General case' 0 N--CA 1.413 -2.312 0 CA-C-O 117.37 -1.3 . . . . 0.0 112.027 166.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 73' ' ' ARG . 65.0 t -79.63 -23.75 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.742 0 C-N-CA 127.476 2.31 . . . . 0.0 116.322 -172.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.6 m -55.74 -28.79 57.71 Favored 'General case' 0 N--CA 1.517 2.911 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 154.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.8 -5.24 57.65 Favored Glycine 0 C--O 1.25 1.142 0 O-C-N 127.841 3.213 . . . . 0.0 114.496 -173.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -83.77 147.46 27.59 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 130.542 3.537 . . . . 0.0 108.441 170.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -45.69 124.03 4.8 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 116.689 2.107 . . . . 0.0 116.689 -166.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 m -57.19 134.45 55.91 Favored 'General case' 0 C--O 1.255 1.346 0 O-C-N 119.329 -2.107 . . . . 0.0 116.267 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.2 pt -132.44 172.29 16.64 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.29 1 C-N-CA 131.958 4.103 . . . . 0.0 113.021 -178.159 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.65 144.14 26.96 Favored 'General case' 0 CA--C 1.483 -1.606 0 C-N-CA 128.701 2.8 . . . . 0.0 117.663 167.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 89.3 m -141.96 158.38 62.16 Favored Pre-proline 0 N--CA 1.509 2.504 0 CA-C-O 117.277 -1.344 . . . . 0.0 114.313 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -88.47 16.28 1.9 Allowed 'Trans proline' 0 C--N 1.367 1.502 0 N-CA-C 118.859 2.6 . . . . 0.0 118.859 -161.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -130.02 25.51 5.25 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 119.451 -2.031 . . . . 0.0 115.951 165.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -120.37 9.03 10.88 Favored 'General case' 0 N--CA 1.503 2.21 0 CA-C-N 115.167 -0.924 . . . . 0.0 113.149 -161.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 42.0 ptt85 -49.28 -31.93 9.92 Favored 'General case' 0 N--CA 1.428 -1.548 0 N-CA-C 117.978 2.584 . . . . 0.0 117.978 -176.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.76 -13.08 61.61 Favored 'General case' 0 N--CA 1.523 3.205 0 CA-C-N 121.6 2.0 . . . . 0.0 113.085 -175.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -127.29 -14.51 5.36 Favored 'General case' 0 C--O 1.194 -1.839 0 N-CA-C 118.297 2.702 . . . . 0.0 118.297 169.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 39.5 t30 54.88 36.86 27.59 Favored 'General case' 0 C--O 1.256 1.433 0 CA-C-N 120.191 1.36 . . . . 0.0 113.207 173.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -157.44 118.38 3.57 Favored 'General case' 0 C--N 1.36 1.051 0 CA-C-O 124.377 2.037 . . . . 0.0 109.197 -173.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 21.8 p -142.1 172.79 12.21 Favored 'General case' 0 C--O 1.251 1.144 0 O-C-N 120.345 -1.472 . . . . 0.0 108.831 177.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -137.85 163.02 32.45 Favored 'General case' 0 N--CA 1.401 -2.888 0 C-N-CA 127.327 2.251 . . . . 0.0 114.349 -177.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.433 ' O ' HG13 ' A' ' 54' ' ' VAL . 8.9 ptt180 -129.84 151.62 50.22 Favored 'General case' 0 C--O 1.183 -2.438 0 C-N-CA 129.514 3.125 . . . . 0.0 110.641 167.41 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.408 ' HB3' ' CD1' ' A' ' 107' ' ' TYR . 60.6 p -60.02 163.35 4.8 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 124.227 1.011 . . . . 0.0 112.868 174.655 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -92.33 -13.12 30.72 Favored 'General case' 0 C--N 1.362 1.13 1 O-C-N 116.142 -4.099 . . . . 0.0 112.574 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -156.05 174.48 15.3 Favored 'General case' 0 C--O 1.256 1.442 0 CA-C-O 127.996 3.76 . . . . 0.0 111.174 -179.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 74.1 mtm180 -72.43 154.5 40.85 Favored 'General case' 0 N--CA 1.513 2.68 0 O-C-N 117.141 -3.474 . . . . 0.0 108.953 175.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.6 m -137.71 154.32 74.72 Favored Pre-proline 0 C--N 1.364 1.209 0 N-CA-C 106.343 -1.725 . . . . 0.0 106.343 174.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -57.17 148.57 69.04 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 O-C-N 125.123 2.118 . . . . 0.0 116.987 149.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 pp -154.86 168.35 27.21 Favored 'General case' 0 C--O 1.273 2.297 0 CA-C-O 128.381 3.943 . . . . 0.0 108.42 -173.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 tp -140.07 117.36 11.31 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-O 126.65 3.119 . . . . 0.0 112.468 163.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 45.9 t60 -84.96 156.94 20.95 Favored 'General case' 0 C--N 1.379 1.891 0 O-C-N 117.86 -3.025 . . . . 0.0 110.111 164.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 95.6 m -137.33 144.98 42.85 Favored 'General case' 0 CA--C 1.589 2.448 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -144.7 143.22 30.61 Favored 'General case' 1 N--CA 1.539 4.002 0 O-C-N 125.282 1.613 . . . . 0.0 114.43 -165.15 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.1 tp -72.87 107.64 5.38 Favored 'General case' 0 C--O 1.258 1.517 0 O-C-N 123.917 0.761 . . . . 0.0 111.769 175.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 pt -80.29 -5.26 8.16 Favored 'Isoleucine or valine' 0 C--O 1.255 1.346 0 CA-C-N 119.755 1.161 . . . . 0.0 112.752 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -121.29 69.41 20.76 Favored Pre-proline 0 CA--C 1.557 1.249 0 O-C-N 117.509 -3.244 . . . . 0.0 114.59 173.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . 0.253 59.0 Cg_exo -42.89 -32.3 2.57 Favored 'Trans proline' 0 C--N 1.384 2.403 0 N-CA-C 120.629 3.28 . . . . 0.0 120.629 177.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -85.93 44.57 3.36 Favored Glycine 0 N--CA 1.488 2.122 0 CA-C-N 120.572 1.533 . . . . 0.0 111.935 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -144.32 155.36 43.78 Favored 'General case' 0 CA--C 1.561 1.398 0 O-C-N 120.347 -1.678 . . . . 0.0 111.052 175.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -148.03 -17.24 0.35 Allowed 'General case' 0 C--N 1.367 1.329 0 O-C-N 119.315 -2.116 . . . . 0.0 106.844 -175.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -104.59 137.39 42.49 Favored 'General case' 0 N--CA 1.438 -1.069 0 O-C-N 119.897 -1.752 . . . . 0.0 109.459 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.264 2.8 pp -54.57 -18.09 2.62 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.548 0 O-C-N 119.436 -2.04 . . . . 0.0 115.754 -177.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 85.7 p -61.28 -18.58 59.16 Favored 'General case' 0 C--O 1.213 -0.853 1 O-C-N 115.371 -4.581 . . . . 0.0 116.13 171.154 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -129.15 -10.05 4.76 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 117.557 -3.214 . . . . 0.0 119.298 170.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 76.6 m -59.5 122.91 15.21 Favored 'General case' 0 C--N 1.378 1.815 0 C-N-CA 126.465 1.906 . . . . 0.0 113.196 172.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -132.8 144.51 50.29 Favored 'General case' 0 N--CA 1.519 2.977 0 C-N-CA 131.11 3.764 . . . . 0.0 107.809 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -123.84 154.0 40.24 Favored 'General case' 1 CA--C 1.631 4.08 0 C-N-CA 129.479 3.112 . . . . 0.0 111.116 -170.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.81 166.26 24.01 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 117.776 -3.078 . . . . 0.0 109.395 165.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . 0.272 8.7 m-20 -83.35 129.25 34.98 Favored 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 129.379 3.072 . . . . 0.0 109.278 -170.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . 0.4 0.6 OUTLIER -125.05 57.75 16.91 Favored Pre-proline 0 CA--C 1.585 2.32 0 C-N-CA 127.319 2.247 . . . . 0.0 115.302 174.903 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -65.87 158.34 54.41 Favored 'Trans proline' 0 C--O 1.198 -1.494 1 C-N-CA 125.542 4.161 . . . . 0.0 112.687 -174.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 170.74 175.42 39.38 Favored Glycine 0 CA--C 1.575 3.825 0 CA-C-N 122.204 2.274 . . . . 0.0 112.208 -172.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -132.14 109.17 9.78 Favored 'General case' 1 CA--C 1.639 4.397 0 N-CA-C 116.52 2.045 . . . . 0.0 116.52 176.272 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 68.7 mtm-85 -137.91 170.62 15.73 Favored 'General case' 0 N--CA 1.526 3.326 0 C-N-CA 128.625 2.77 . . . . 0.0 114.859 -176.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -71.59 174.87 6.12 Favored 'General case' 0 C--O 1.194 -1.824 0 O-C-N 120.37 -1.456 . . . . 0.0 112.517 157.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.408 ' CD1' ' HB3' ' A' ' 74' ' ' SER . 25.0 p90 -150.04 155.72 40.4 Favored 'General case' 0 N--CA 1.412 -2.355 0 O-C-N 125.539 1.775 . . . . 0.0 114.631 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.51 ' O ' HD12 ' A' ' 129' ' ' LEU . 40.3 t -135.72 128.95 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.606 0 CA-C-N 113.99 -1.459 . . . . 0.0 110.635 -169.061 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 22.2 m -128.08 177.88 5.49 Favored 'Isoleucine or valine' 0 C--O 1.264 1.827 0 C-N-CA 131.285 3.834 . . . . 0.0 113.382 -172.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -134.01 151.36 51.41 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 126.341 1.857 . . . . 0.0 110.367 158.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 96.8 m -127.5 171.26 11.75 Favored 'General case' 0 CA--C 1.564 1.501 0 N-CA-C 117.238 2.31 . . . . 0.0 117.238 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -144.28 173.32 11.87 Favored 'General case' 0 CA--C 1.498 -1.02 0 C-N-CA 127.48 2.312 . . . . 0.0 114.138 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -56.08 166.29 0.82 Allowed 'General case' 0 CA--C 1.484 -1.584 0 CA-C-O 125.351 2.5 . . . . 0.0 113.05 160.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -54.9 153.81 5.88 Favored 'General case' 0 CA--C 1.562 1.416 0 O-C-N 118.343 -2.723 . . . . 0.0 113.376 169.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.49 146.43 89.67 Favored Pre-proline 0 N--CA 1.517 2.892 0 C-N-CA 127.584 2.354 . . . . 0.0 110.862 148.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -57.83 -33.11 96.51 Favored 'Trans proline' 0 N--CA 1.433 -2.068 0 C-N-CA 122.182 1.921 . . . . 0.0 114.634 -172.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -126.9 -24.5 3.48 Favored 'General case' 0 C--N 1.38 1.905 1 CA-C-O 110.471 -4.585 . . . . 0.0 113.075 -172.052 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -79.22 127.63 32.29 Favored 'General case' 0 CA--C 1.56 1.35 0 CA-C-N 125.19 3.632 . . . . 0.0 113.822 -174.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 67.7 m 51.17 70.92 1.71 Allowed Pre-proline 0 CA--C 1.572 1.808 0 N-CA-C 116.033 1.864 . . . . 0.0 116.033 172.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -51.99 -22.72 15.07 Favored 'Trans proline' 0 C--O 1.263 1.759 0 N-CA-C 120.262 3.139 . . . . 0.0 120.262 -178.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -51.79 -16.37 0.67 Allowed 'General case' 0 C--O 1.192 -1.946 0 N-CA-C 119.807 3.262 . . . . 0.0 119.807 166.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.419 ' CD1' HG21 ' A' ' 52' ' ' VAL . 23.2 m-85 -122.18 75.82 41.41 Favored Pre-proline 0 N--CA 1.409 -2.523 0 O-C-N 125.202 1.564 . . . . 0.0 110.241 -168.356 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -56.13 -22.78 41.39 Favored 'Trans proline' 0 C--O 1.253 1.25 1 C-N-CA 125.67 4.247 . . . . 0.0 114.769 177.322 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.8 m -129.43 161.11 39.56 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.518 0 C-N-CA 126.617 1.967 . . . . 0.0 107.473 167.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 17.8 m -151.46 143.48 16.13 Favored Pre-proline 0 CA--C 1.556 1.198 0 O-C-N 119.883 -1.761 . . . . 0.0 109.113 -176.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.429 ' HB2' ' CE2' ' A' ' 11' ' ' PHE . 66.3 Cg_endo -70.72 135.93 29.29 Favored 'Trans proline' 0 N--CA 1.418 -2.957 1 C-N-CA 126.764 4.976 . . . . 0.0 113.081 171.034 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . 0.264 27.6 m -122.19 -11.18 8.3 Favored 'Isoleucine or valine' 0 C--O 1.293 3.356 0 O-C-N 127.437 2.961 . . . . 0.0 113.733 -170.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -165.92 154.13 10.92 Favored 'General case' 0 C--N 1.399 2.735 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 108' ' ' VAL . 20.5 tp -127.45 144.56 51.04 Favored 'General case' 0 C--N 1.309 -1.166 0 C-N-CA 127.969 2.508 . . . . 0.0 110.849 166.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.475 ' H ' HD12 ' A' ' 129' ' ' LEU . 38.8 t70 -131.25 -27.77 1.97 Allowed 'General case' 0 C--N 1.291 -1.972 0 O-C-N 121.589 -0.694 . . . . 0.0 111.877 -159.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . 0.263 6.8 t -164.99 170.11 15.58 Favored 'General case' 0 C--O 1.26 1.644 1 C-N-CA 132.072 4.149 . . . . 0.0 110.114 179.514 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 73.4 p -143.63 125.54 15.23 Favored 'General case' 0 C--N 1.375 1.71 0 N-CA-C 105.151 -2.166 . . . . 0.0 105.151 170.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.369 1.44 0 N-CA-C 118.322 2.712 . . . . 0.0 118.322 -166.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 203' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 . . . . . 0 C--O 1.261 1.663 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo -58.59 159.66 19.58 Favored 'Trans proline' 0 CA--C 1.578 2.696 0 C-N-CA 124.621 3.547 . . . . 0.0 111.128 174.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.287 70.8 Cg_endo -66.1 -15.5 48.78 Favored 'Trans proline' 0 C--N 1.3 -2.004 0 C-N-CA 125.083 3.855 . . . . 0.0 118.489 -175.104 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.26 26.8 pt20 -154.14 16.58 0.48 Allowed 'General case' 0 N--CA 1.439 -0.989 0 CA-C-O 115.27 -2.3 . . . . 0.0 109.178 -165.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -153.29 169.32 23.36 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 119.158 3.021 . . . . 0.0 119.158 -176.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.8 p -61.7 155.35 22.91 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 150.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -49.75 -37.18 28.46 Favored 'General case' 0 CA--C 1.562 1.429 0 O-C-N 119.358 -2.089 . . . . 0.0 114.522 148.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.9 -37.22 62.15 Favored 'General case' 0 N--CA 1.499 2.015 0 CA-C-N 121.198 1.817 . . . . 0.0 114.704 -174.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -64.1 -37.06 86.08 Favored 'General case' 0 CA--C 1.577 1.991 0 O-C-N 120.133 -1.604 . . . . 0.0 111.074 171.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -77.37 -28.84 53.04 Favored 'General case' 0 C--N 1.358 0.978 0 C-N-CA 123.063 0.545 . . . . 0.0 111.252 -172.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -53.53 -59.85 4.07 Favored 'General case' 0 N--CA 1.511 2.608 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 158.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.35 -41.93 90.37 Favored 'General case' 0 CA--C 1.559 1.325 0 O-C-N 121.158 -0.963 . . . . 0.0 111.664 -170.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.3 mt -62.16 -33.92 61.06 Favored 'Isoleucine or valine' 0 C--N 1.357 0.902 0 C-N-CA 119.302 -0.959 . . . . 0.0 110.817 176.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -71.52 -39.74 70.57 Favored 'General case' 0 C--O 1.288 3.122 0 CA-C-O 118.436 -0.793 . . . . 0.0 113.042 178.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -130.94 -9.34 3.89 Favored 'General case' 0 C--O 1.184 -2.377 0 N-CA-C 120.811 3.634 . . . . 0.0 120.811 -162.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 47.8 mm -122.73 99.15 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.028 1 O-C-N 114.916 -4.865 . . . . 0.0 110.244 -172.473 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.2 m -142.5 104.91 4.47 Favored 'General case' 0 CA--C 1.561 1.395 0 N-CA-C 104.817 -2.29 . . . . 0.0 104.817 -171.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.8 tp -64.46 -35.03 79.61 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 123.83 1.776 . . . . 0.0 111.268 -174.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -149.73 72.62 9.69 Favored Pre-proline 0 C--N 1.311 -1.07 0 O-C-N 118.468 -2.645 . . . . 0.0 109.103 -173.096 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -69.34 166.65 26.34 Favored 'Trans proline' 0 C--N 1.371 1.719 0 O-C-N 124.651 1.869 . . . . 0.0 112.065 -176.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -82.65 171.04 12.39 Favored 'Trans proline' 1 CA--C 1.612 4.377 1 C-N-CA 126.874 5.05 . . . . 0.0 109.432 160.79 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.5 mtt-85 -46.8 144.12 2.52 Favored 'General case' 0 C--O 1.252 1.214 0 C-N-CA 128.011 2.525 . . . . 0.0 110.237 176.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.488 ' SG ' ' HA ' ' A' ' 100' ' ' ASP . 93.3 m -57.23 -22.1 38.61 Favored 'General case' 0 N--CA 1.519 3.009 0 CA-C-O 114.766 -2.54 . . . . 0.0 117.537 -176.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 p -48.36 -27.44 2.58 Favored 'General case' 0 N--CA 1.512 2.668 0 C-N-CA 126.836 2.054 . . . . 0.0 113.931 164.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.4 mm -118.7 -39.64 2.05 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.101 0 CA-C-O 114.249 -2.786 . . . . 0.0 105.506 -170.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.72 -28.85 69.35 Favored 'General case' 0 C--O 1.266 1.925 0 CA-C-O 114.114 -2.85 . . . . 0.0 109.822 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 29.1 mmm -63.45 -16.21 59.95 Favored 'General case' 0 CA--C 1.487 -1.457 0 CA-C-N 125.049 3.568 . . . . 0.0 111.994 173.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -68.41 -20.16 64.65 Favored 'General case' 0 C--O 1.192 -1.934 0 C-N-CA 125.211 1.404 . . . . 0.0 113.732 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -24.39 66.52 Favored 'General case' 0 N--CA 1.425 -1.72 0 C-N-CA 126.52 1.928 . . . . 0.0 113.015 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 16.3 pt -126.75 -39.04 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.187 0 O-C-N 125.466 1.729 . . . . 0.0 113.978 172.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.354 42.7 m-20 -72.01 -13.01 61.5 Favored 'General case' 0 N--CA 1.42 -1.936 0 N-CA-C 118.796 2.888 . . . . 0.0 118.796 -174.154 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -110.96 30.44 6.86 Favored 'General case' 0 CA--C 1.624 3.8 1 O-C-N 116.246 -4.034 . . . . 0.0 107.2 173.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -152.91 -54.45 0.12 Allowed 'General case' 0 N--CA 1.498 1.967 0 C-N-CA 128.765 2.826 . . . . 0.0 105.709 -162.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -79.22 162.42 25.73 Favored 'General case' 0 C--O 1.253 1.282 0 CA-C-N 121.304 1.865 . . . . 0.0 112.323 166.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -68.24 -11.73 59.83 Favored 'General case' 0 CA--C 1.575 1.941 0 C-N-CA 126.424 1.89 . . . . 0.0 113.005 -167.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -155.64 140.26 16.96 Favored 'General case' 0 N--CA 1.499 1.996 0 CA-C-O 122.026 0.917 . . . . 0.0 110.226 -169.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.8 m -49.19 103.7 0.05 Allowed 'General case' 0 CA--C 1.567 1.622 0 C-N-CA 129.465 3.106 . . . . 0.0 111.013 167.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.425 ' HE2' ' H3 ' ' A' ' 203' ' ' SGN . 56.7 tttt -66.24 126.64 29.35 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 116.881 -3.637 . . . . 0.0 110.011 166.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -60.64 -43.37 97.63 Favored 'General case' 0 N--CA 1.39 -3.444 0 C-N-CA 128.928 2.891 . . . . 0.0 118.684 -170.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.423 ' O ' ' HE2' ' A' ' 38' ' ' LYS . 34.0 mm-40 -135.78 148.56 48.8 Favored 'General case' 0 C--O 1.196 -1.745 0 C-N-CA 125.05 1.34 . . . . 0.0 108.091 176.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -150.38 163.28 38.75 Favored 'General case' 0 CA--C 1.587 2.377 0 O-C-N 116.666 -3.771 . . . . 0.0 108.348 172.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.7 m -139.61 135.2 33.08 Favored 'General case' 0 N--CA 1.508 2.449 0 C-N-CA 125.506 1.522 . . . . 0.0 114.711 175.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -122.06 117.95 27.57 Favored 'General case' 0 CA--C 1.579 2.068 0 O-C-N 124.897 1.373 . . . . 0.0 108.101 -173.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -77.72 134.96 37.99 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 127.583 2.353 . . . . 0.0 115.366 172.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -93.82 65.73 3.61 Favored 'General case' 0 CA--C 1.589 2.459 0 CA-C-O 124.801 2.238 . . . . 0.0 107.147 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.298 6.3 t -135.1 175.65 9.39 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 118.106 -2.871 . . . . 0.0 108.183 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.0 p -97.47 152.4 19.01 Favored 'General case' 0 C--O 1.195 -1.765 0 O-C-N 120.803 -1.185 . . . . 0.0 109.64 173.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -49.74 -49.65 47.26 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 118.519 -2.613 . . . . 0.0 112.959 -175.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.29 -28.86 70.01 Favored 'General case' 0 C--N 1.305 -1.355 1 O-C-N 130.632 4.957 . . . . 0.0 111.575 -172.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -71.97 -26.98 62.48 Favored 'General case' 0 C--O 1.204 -1.326 0 CA-C-O 114.768 -2.539 . . . . 0.0 111.189 174.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.0 t -80.15 -36.18 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 CA-C-N 120.372 1.442 . . . . 0.0 110.737 171.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.1 t -53.78 -32.62 21.9 Favored 'Isoleucine or valine' 0 C--O 1.255 1.384 0 CA-C-O 115.241 -2.314 . . . . 0.0 111.85 175.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -71.12 -18.67 62.51 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 125.659 3.845 . . . . 0.0 114.834 176.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.4 t -74.32 -27.85 22.11 Favored 'Isoleucine or valine' 0 C--O 1.273 2.32 0 C-N-CA 126.887 2.075 . . . . 0.0 113.306 166.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 21.3 m -56.4 -45.08 80.81 Favored 'General case' 0 C--N 1.402 2.853 0 CA-C-O 122.23 1.014 . . . . 0.0 110.492 159.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.49 4.93 0.12 Allowed Glycine 1 N--CA 1.519 4.183 0 N-CA-C 121.248 3.259 . . . . 0.0 121.248 166.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -95.57 174.01 7.21 Favored 'General case' 0 N--CA 1.534 3.752 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 -175.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -46.97 147.77 1.27 Allowed 'General case' 0 CA--C 1.622 3.715 0 O-C-N 118.809 -2.432 . . . . 0.0 111.807 166.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.4 m -90.8 139.67 30.52 Favored 'General case' 0 N--CA 1.507 2.381 0 CA-C-N 122.585 2.448 . . . . 0.0 110.248 171.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.6 pt -137.96 -175.25 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 CA-C-O 126.143 2.878 . . . . 0.0 112.07 -177.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -109.97 148.37 31.76 Favored 'General case' 0 CA--C 1.49 -1.346 0 O-C-N 117.578 -3.201 . . . . 0.0 111.011 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 72.9 m -137.54 150.36 68.12 Favored Pre-proline 0 N--CA 1.48 1.062 0 O-C-N 125.011 1.444 . . . . 0.0 114.105 -173.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . 0.296 96.7 Cg_endo -72.8 -1.53 10.55 Favored 'Trans proline' 0 C--N 1.326 -0.624 1 C-N-CA 125.369 4.046 . . . . 0.0 112.485 -163.498 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -142.82 35.2 1.4 Allowed 'General case' 0 CA--C 1.581 2.151 0 CA-C-N 121.046 1.748 . . . . 0.0 114.58 -178.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -141.21 1.88 1.65 Allowed 'General case' 0 N--CA 1.499 2.018 0 C-N-CA 127.261 2.224 . . . . 0.0 111.046 -151.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.1 ptt85 -60.36 -19.54 56.01 Favored 'General case' 0 N--CA 1.494 1.734 1 O-C-N 115.414 -4.554 . . . . 0.0 114.432 -178.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.7 p -68.32 -29.39 68.13 Favored 'General case' 0 CA--C 1.493 -1.219 0 CA-C-O 114.371 -2.728 . . . . 0.0 112.245 175.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.472 HD23 ' H ' ' A' ' 68' ' ' LEU . 2.4 pt? -118.25 -9.29 10.47 Favored 'General case' 0 C--O 1.268 2.034 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 162.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.331 5.1 t30 47.19 47.42 16.44 Favored 'General case' 0 C--N 1.296 -1.728 0 C-N-CA 126.646 1.978 . . . . 0.0 112.035 171.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -159.79 119.95 2.99 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 129.37 3.068 . . . . 0.0 110.744 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 30.8 p -146.41 175.3 10.65 Favored 'General case' 0 C--N 1.286 -2.158 0 C-N-CA 127.521 2.328 . . . . 0.0 110.976 171.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -143.47 153.9 43.11 Favored 'General case' 0 C--N 1.365 1.269 0 O-C-N 120.401 -1.437 . . . . 0.0 110.988 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -114.47 159.97 19.73 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 126.495 1.918 . . . . 0.0 113.469 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 76.3 p -78.14 140.54 39.02 Favored 'General case' 0 N--CA 1.533 3.707 0 CA-C-N 114.378 -1.283 . . . . 0.0 111.518 -174.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -69.93 -29.47 66.63 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 -175.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -137.16 -175.79 4.16 Favored 'General case' 0 C--O 1.283 2.816 0 C-N-CA 129.197 2.999 . . . . 0.0 104.977 -169.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 -91.84 162.51 14.4 Favored 'General case' 0 C--O 1.248 1.02 0 C-N-CA 127.771 2.428 . . . . 0.0 111.399 168.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.5 m -148.72 145.76 20.62 Favored Pre-proline 0 C--O 1.272 2.249 0 C-N-CA 126.945 2.098 . . . . 0.0 106.78 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.76 156.2 67.05 Favored 'Trans proline' 0 CA--C 1.586 3.079 0 O-C-N 116.332 -2.51 . . . . 0.0 113.821 169.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . 0.334 2.1 pp -152.53 -175.34 5.25 Favored 'General case' 0 C--O 1.274 2.36 0 O-C-N 125.768 1.918 . . . . 0.0 108.057 -171.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.445 ' HA ' ' HA ' ' A' ' 102' ' ' PRO . 23.1 tp -151.9 108.43 3.46 Favored 'General case' 0 C--O 1.27 2.179 1 C-N-CA 134.343 5.057 . . . . 0.0 114.924 178.865 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.7 t60 -82.2 151.59 26.81 Favored 'General case' 0 C--N 1.362 1.141 0 C-N-CA 124.348 1.059 . . . . 0.0 111.021 167.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 90.8 m -138.73 144.17 39.39 Favored 'General case' 0 CA--C 1.486 -1.519 0 CA-C-O 117.541 -1.219 . . . . 0.0 112.864 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -140.93 121.35 14.04 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-O 115.4 -2.238 . . . . 0.0 111.634 -157.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 52.3 tp -65.35 92.74 0.13 Allowed 'General case' 0 CA--C 1.575 1.938 0 C-N-CA 127.448 2.299 . . . . 0.0 110.234 173.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 25.5 pt -66.34 19.11 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 N-CA-C 117.546 2.425 . . . . 0.0 117.546 172.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -146.32 103.25 4.04 Favored Pre-proline 0 C--N 1.394 2.518 0 O-C-N 119.874 -1.766 . . . . 0.0 112.234 172.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -71.01 -21.08 28.17 Favored 'Trans proline' 0 N--CA 1.445 -1.337 0 C-N-CA 121.991 1.794 . . . . 0.0 116.36 -175.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -85.45 -2.4 87.37 Favored Glycine 0 N--CA 1.48 1.62 0 CA-C-N 121.336 1.88 . . . . 0.0 116.585 171.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.8 131.36 35.88 Favored 'General case' 0 C--N 1.395 2.585 0 C-N-CA 115.877 -2.329 . . . . 0.0 113.036 173.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -121.5 -20.62 6.52 Favored 'General case' 0 C--N 1.361 1.093 0 CA-C-N 123.402 2.819 . . . . 0.0 115.888 172.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . 0.255 50.8 t30 -129.82 154.39 47.3 Favored 'General case' 0 N--CA 1.51 2.538 0 C-N-CA 117.098 -1.841 . . . . 0.0 111.754 -176.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 pp -65.5 -8.66 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 C-N-CA 127.029 2.132 . . . . 0.0 111.579 -159.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.8 m -73.55 -19.44 60.9 Favored 'General case' 1 N--CA 1.542 4.147 0 O-C-N 120.339 -1.476 . . . . 0.0 110.072 172.542 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -139.34 6.99 2.36 Favored 'General case' 0 C--O 1.263 1.771 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -171.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . 0.363 64.7 m -69.93 143.55 52.67 Favored 'General case' 0 C--N 1.365 1.265 0 C-N-CA 129.198 2.999 . . . . 0.0 113.032 173.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -155.64 139.37 16.11 Favored 'General case' 0 N--CA 1.499 1.993 1 C-N-CA 132.018 4.127 . . . . 0.0 113.443 -176.235 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -134.13 168.75 18.27 Favored 'General case' 0 C--O 1.28 2.685 0 O-C-N 118.868 -2.395 . . . . 0.0 113.279 -165.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -151.75 162.44 41.01 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-O 124.328 2.013 . . . . 0.0 110.603 177.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.488 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 1.2 m-20 -99.17 136.74 38.69 Favored 'General case' 0 C--O 1.246 0.919 0 C-N-CA 129.555 3.142 . . . . 0.0 107.725 -167.169 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -144.19 75.96 15.17 Favored Pre-proline 0 C--O 1.272 2.287 0 C-N-CA 128.508 2.723 . . . . 0.0 110.728 165.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.445 ' HA ' ' HA ' ' A' ' 81' ' ' LEU . 72.3 Cg_exo -38.2 164.07 0.02 OUTLIER 'Trans proline' 0 N--CA 1.505 2.192 0 C-N-CA 123.234 2.623 . . . . 0.0 117.271 163.224 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -173.75 -163.83 27.91 Favored Glycine 0 C--O 1.267 2.201 0 C-N-CA 116.738 -2.649 . . . . 0.0 118.645 162.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.6 ttt-85 -153.08 120.69 5.98 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 118.863 -2.551 . . . . 0.0 108.987 168.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -151.7 164.75 36.28 Favored 'General case' 0 N--CA 1.495 1.789 1 C-N-CA 131.804 4.042 . . . . 0.0 111.9 -165.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -76.78 173.27 11.87 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 121.42 -0.8 . . . . 0.0 110.229 158.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -158.59 161.85 37.28 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 121.526 1.966 . . . . 0.0 113.899 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.8 t -138.51 118.56 15.13 Favored 'Isoleucine or valine' 0 C--N 1.392 2.422 0 CA-C-O 123.39 1.567 . . . . 0.0 109.904 -163.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.6 m -127.52 164.43 28.63 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.283 0 C-N-CA 128.438 2.695 . . . . 0.0 108.467 -157.059 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -124.16 151.55 43.88 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-O 124.036 1.874 . . . . 0.0 108.247 169.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 55.5 m -127.55 175.56 8.16 Favored 'General case' 0 C--O 1.275 2.435 0 C-N-CA 127.305 2.242 . . . . 0.0 112.097 178.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -155.17 154.58 32.5 Favored 'General case' 0 C--N 1.29 -1.992 0 CA-C-N 111.276 -2.693 . . . . 0.0 114.923 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -51.99 141.53 17.76 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 127.461 2.976 . . . . 0.0 115.404 165.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.413 ' HE ' ' HB2' ' A' ' 114' ' ' ARG . 6.0 ptm180 -44.62 153.64 0.16 Allowed 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 131.254 3.822 . . . . 0.0 114.41 -178.373 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -73.84 138.11 76.6 Favored Pre-proline 0 CA--C 1.561 1.393 0 O-C-N 117.175 -3.453 . . . . 0.0 105.243 171.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -66.67 0.2 3.83 Favored 'Trans proline' 0 CA--C 1.557 1.642 0 CA-C-O 114.282 -2.466 . . . . 0.0 114.15 175.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 31.2 mtm105 -138.17 -49.39 0.56 Allowed 'General case' 0 C--O 1.273 2.302 0 CA-C-N 123.683 2.947 . . . . 0.0 113.081 164.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -58.08 117.35 4.27 Favored 'General case' 0 N--CA 1.497 1.883 0 CA-C-N 120.168 1.349 . . . . 0.0 114.095 -175.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.3 m 65.44 70.81 0.55 Allowed Pre-proline 0 C--O 1.252 1.226 0 CA-C-O 121.972 0.891 . . . . 0.0 110.612 159.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -66.97 -28.28 42.09 Favored 'Trans proline' 0 N--CA 1.51 2.472 1 C-N-CA 126.867 5.045 . . . . 0.0 115.713 -170.216 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 37.0 ttm105 -41.88 -35.95 0.95 Allowed 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 -177.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . 0.255 6.4 m-85 -106.52 130.06 23.51 Favored Pre-proline 0 CA--C 1.578 2.021 0 O-C-N 119.899 -1.751 . . . . 0.0 111.001 -173.103 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -78.69 -17.82 12.27 Favored 'Trans proline' 0 CA--C 1.565 2.053 0 CA-C-O 124.373 1.739 . . . . 0.0 112.139 174.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 4.0 m -145.05 141.7 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 C-N-CA 130.421 3.489 . . . . 0.0 112.173 -177.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 26.8 m -141.96 144.37 32.0 Favored Pre-proline 0 N--CA 1.482 1.175 0 O-C-N 117.455 -3.278 . . . . 0.0 106.675 -164.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -78.36 146.84 22.41 Favored 'Trans proline' 0 CA--C 1.555 1.546 0 O-C-N 126.376 2.777 . . . . 0.0 106.978 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 27.3 m -129.39 -12.01 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.609 3.222 0 CA-C-O 116.228 -1.844 . . . . 0.0 113.138 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -156.06 154.91 31.74 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 116.67 -1.634 . . . . 0.0 114.675 -171.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 25.7 tp -138.55 106.39 5.66 Favored 'General case' 0 N--CA 1.521 3.086 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 173.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -79.44 -37.53 36.8 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 128.392 2.677 . . . . 0.0 111.256 -174.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 8.0 t -173.18 179.73 2.15 Favored 'General case' 0 N--CA 1.523 3.22 0 O-C-N 118.464 -2.647 . . . . 0.0 108.843 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 45.4 p -140.48 149.33 42.39 Favored 'General case' 0 N--CA 1.517 2.894 0 N-CA-C 103.688 -2.708 . . . . 0.0 103.688 177.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.278 0.1 OUTLIER . . . . . 0 N--CA 1.512 2.647 0 O-C-N 119.537 -1.977 . . . . 0.0 112.192 -168.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 203' ' ' SGN . . . . . 0.425 ' H3 ' ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.6 ttt180 . . . . . 0 N--CA 1.415 -2.181 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -53.55 149.8 29.87 Favored 'Trans proline' 0 C--O 1.256 1.395 0 C-N-CA 123.56 2.84 . . . . 0.0 114.448 169.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -45.74 -32.56 9.03 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 CA-C-O 115.256 -2.06 . . . . 0.0 116.021 -175.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -148.77 21.65 1.01 Allowed 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 123.949 3.068 . . . . 0.0 115.813 -175.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -141.49 -177.14 5.01 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 128.191 2.596 . . . . 0.0 111.281 -171.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 49.2 p -92.49 164.57 13.41 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 127.786 2.434 . . . . 0.0 112.927 146.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -54.38 -50.52 67.32 Favored 'General case' 0 CA--C 1.463 -2.399 0 C-N-CA 126.047 1.739 . . . . 0.0 110.432 178.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . 0.253 . . -71.13 -33.47 70.12 Favored 'General case' 0 CA--C 1.487 -1.459 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -173.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -64.11 -55.61 20.73 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-O 124.536 2.112 . . . . 0.0 111.798 169.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -51.55 -42.88 62.15 Favored 'General case' 0 N--CA 1.405 -2.698 0 O-C-N 120.632 -1.293 . . . . 0.0 113.775 175.099 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 126' ' ' PRO . 43.2 t80 -51.6 -57.0 10.38 Favored 'General case' 0 C--O 1.181 -2.521 0 O-C-N 118.832 -2.418 . . . . 0.0 108.718 168.317 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.82 -52.39 57.19 Favored 'General case' 0 C--O 1.182 -2.455 0 N-CA-C 119.885 3.291 . . . . 0.0 119.885 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.0 mt -58.33 -29.85 38.92 Favored 'Isoleucine or valine' 0 C--O 1.297 3.593 0 O-C-N 117.911 -2.993 . . . . 0.0 113.829 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -80.39 -19.29 46.62 Favored 'General case' 0 N--CA 1.511 2.579 0 C-N-CA 129.235 3.014 . . . . 0.0 114.867 173.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -153.75 -11.56 0.14 Allowed 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 118.471 2.767 . . . . 0.0 118.471 -158.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.6 mm -136.3 99.95 2.18 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.114 0 CA-C-O 122.79 1.281 . . . . 0.0 110.89 -173.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 m -151.52 102.34 2.88 Favored 'General case' 0 CA--C 1.566 1.577 0 C-N-CA 127.641 2.377 . . . . 0.0 108.0 -160.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.0 tp -54.14 -41.02 67.93 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 127.587 2.355 . . . . 0.0 114.764 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -147.85 70.27 11.22 Favored Pre-proline 0 C--N 1.387 2.226 0 O-C-N 125.736 1.898 . . . . 0.0 108.969 -171.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.523 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 36.7 Cg_endo -69.98 152.24 68.12 Favored 'Trans proline' 0 C--O 1.257 1.457 0 C-N-CA 123.919 3.079 . . . . 0.0 114.108 174.153 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.523 ' HD3' ' HA ' ' A' ' 20' ' ' PRO . 34.0 Cg_exo -68.09 -165.65 0.12 Allowed 'Trans proline' 0 CA--C 1.583 2.972 1 C-N-CA 125.937 4.425 . . . . 0.0 114.772 167.634 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.1 mtt-85 -53.6 153.24 4.46 Favored 'General case' 0 C--O 1.264 1.816 0 CA-C-O 123.77 1.748 . . . . 0.0 107.178 164.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 79.6 m -50.61 -39.39 50.06 Favored 'General case' 0 CA--C 1.58 2.098 0 O-C-N 118.804 -2.435 . . . . 0.0 113.206 163.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.5 p -45.42 -28.89 0.96 Allowed 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 119.859 3.281 . . . . 0.0 119.859 166.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.3 mm -100.67 -46.09 11.65 Favored 'Isoleucine or valine' 0 C--O 1.273 2.323 0 O-C-N 125.05 1.468 . . . . 0.0 108.351 170.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.77 -42.47 97.54 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 119.649 -1.907 . . . . 0.0 109.413 -167.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 81.7 mmm -53.75 -36.08 61.95 Favored 'General case' 0 CA--C 1.588 2.418 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 170.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -51.6 -32.83 30.29 Favored 'General case' 0 N--CA 1.522 3.153 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 -174.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.6 -28.23 0.57 Allowed 'General case' 0 CA--C 1.593 2.622 0 C-N-CA 130.172 3.389 . . . . 0.0 116.116 178.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.6 pt -132.87 -36.32 0.5 Allowed 'Isoleucine or valine' 0 C--O 1.198 -1.649 1 CA-C-O 111.21 -4.233 . . . . 0.0 105.337 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -88.36 -10.91 47.81 Favored 'General case' 0 N--CA 1.531 3.604 1 CA-C-N 127.173 4.533 . . . . 0.0 111.674 -163.178 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -116.72 17.85 15.08 Favored 'General case' 0 C--O 1.184 -2.384 0 C-N-CA 127.919 2.488 . . . . 0.0 106.048 177.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -141.02 -3.9 1.21 Allowed 'General case' 0 C--N 1.386 2.189 0 O-C-N 116.514 -3.866 . . . . 0.0 111.859 176.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -112.9 150.93 31.09 Favored 'General case' 0 C--N 1.305 -1.364 1 O-C-N 116.269 -4.019 . . . . 0.0 107.178 166.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -44.41 -32.33 1.32 Allowed 'General case' 0 CA--C 1.561 1.402 0 N-CA-C 121.101 3.741 . . . . 0.0 121.101 -177.463 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -143.94 151.16 39.41 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 127.443 2.297 . . . . 0.0 108.266 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 85.7 m -64.74 134.96 55.28 Favored 'General case' 0 CA--C 1.571 1.754 0 C-N-CA 128.475 2.71 . . . . 0.0 111.633 -176.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -68.47 129.09 38.9 Favored 'General case' 0 N--CA 1.521 3.109 0 CA-C-O 124.282 1.992 . . . . 0.0 109.842 165.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -55.27 -35.72 65.33 Favored 'General case' 0 N--CA 1.439 -0.995 2 O-C-N 114.746 -4.972 . . . . 0.0 116.353 176.538 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -151.69 149.1 28.72 Favored 'General case' 0 C--N 1.427 3.969 0 O-C-N 119.83 -1.794 . . . . 0.0 107.871 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -151.13 154.72 37.47 Favored 'General case' 0 CA--C 1.589 2.467 0 C-N-CA 126.454 1.901 . . . . 0.0 115.112 171.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 79.9 m -129.24 132.73 47.28 Favored 'General case' 0 C--O 1.262 1.727 0 CA-C-O 114.615 -2.612 . . . . 0.0 112.842 -172.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -124.49 116.52 22.64 Favored 'General case' 0 C--O 1.2 -1.537 0 C-N-CA 130.506 3.523 . . . . 0.0 109.773 -176.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.411 HD21 HG21 ' A' ' 132' ' ' THR . 16.0 mt -87.28 124.54 33.45 Favored 'General case' 0 C--N 1.378 1.813 0 O-C-N 119.781 -1.824 . . . . 0.0 109.241 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.419 ' HB2' ' HB2' ' A' ' 79' ' ' PRO . 27.7 mtp180 -82.04 77.3 8.87 Favored 'General case' 0 N--CA 1.472 0.663 1 O-C-N 129.257 4.098 . . . . 0.0 115.394 175.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.5 t -144.33 173.33 11.87 Favored 'General case' 0 C--N 1.373 1.592 0 N-CA-C 104.839 -2.282 . . . . 0.0 104.839 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.5 p -75.16 157.34 34.78 Favored 'General case' 0 N--CA 1.523 3.209 0 CA-C-N 114.305 -1.316 . . . . 0.0 110.976 164.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -68.01 -37.5 81.49 Favored 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 172.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.69 -19.56 65.02 Favored 'General case' 0 N--CA 1.535 3.793 0 C-N-CA 126.143 1.777 . . . . 0.0 113.332 178.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -91.53 -22.77 20.19 Favored 'General case' 0 N--CA 1.408 -2.549 0 N-CA-C 116.162 1.912 . . . . 0.0 116.162 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 t -73.62 -27.7 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-N 114.532 -1.213 . . . . 0.0 111.036 163.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.456 HG11 ' CD1' ' A' ' 122' ' ' TYR . 85.3 t -60.17 -44.72 95.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 CA-C-O 124.964 2.316 . . . . 0.0 106.014 168.395 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -59.86 -22.62 62.56 Favored 'General case' 0 N--CA 1.508 2.441 1 O-C-N 114.573 -5.079 . . . . 0.0 114.703 172.148 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.0 t -74.56 -39.4 47.31 Favored 'Isoleucine or valine' 0 CA--C 1.616 3.514 0 CA-C-N 119.469 1.031 . . . . 0.0 108.479 168.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 88.6 m -63.76 -18.84 64.47 Favored 'General case' 0 CA--C 1.564 1.489 0 C-N-CA 128.048 2.539 . . . . 0.0 113.113 172.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -83.44 -9.05 84.13 Favored Glycine 2 C--O 1.166 -4.121 0 C-N-CA 130.244 3.783 . . . . 0.0 117.346 170.126 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -89.11 175.01 7.56 Favored 'General case' 0 CA--C 1.555 1.172 0 O-C-N 117.449 -3.383 . . . . 0.0 110.604 -176.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -54.74 138.01 43.12 Favored 'General case' 0 N--CA 1.522 3.149 0 O-C-N 118.773 -2.454 . . . . 0.0 109.876 -172.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.7 m -62.27 124.09 19.96 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 130.124 3.37 . . . . 0.0 111.952 173.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.5 pt -120.79 177.51 3.19 Favored 'Isoleucine or valine' 0 C--O 1.265 1.902 0 C-N-CA 124.09 0.956 . . . . 0.0 111.396 169.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -117.57 146.86 43.32 Favored 'General case' 0 N--CA 1.515 2.786 0 C-N-CA 127.304 2.242 . . . . 0.0 110.764 168.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 75.9 m -148.05 154.94 43.65 Favored Pre-proline 0 C--N 1.304 -1.371 1 C-N-CA 134.457 5.103 . . . . 0.0 118.529 -159.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -89.6 2.42 5.53 Favored 'Trans proline' 0 C--N 1.376 2.017 0 N-CA-C 115.87 1.45 . . . . 0.0 115.87 -164.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -128.67 37.45 4.1 Favored 'General case' 0 CA--C 1.601 2.936 0 C-N-CA 125.156 1.382 . . . . 0.0 111.833 -174.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -146.4 10.18 1.1 Allowed 'General case' 0 CA--C 1.589 2.448 0 O-C-N 119.238 -2.164 . . . . 0.0 112.226 -145.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . 0.255 28.5 ptt-85 -57.04 -30.79 64.53 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.716 1.607 . . . . 0.0 114.282 -163.212 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.2 p -62.21 -20.94 64.71 Favored 'General case' 0 N--CA 1.5 2.052 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 -178.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -141.83 -7.78 0.95 Allowed 'General case' 0 C--O 1.265 1.918 0 CA-C-O 116.942 -1.504 . . . . 0.0 114.623 174.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 65.7 t30 48.89 40.17 15.98 Favored 'General case' 0 C--O 1.209 -1.066 0 N-CA-C 118.481 2.771 . . . . 0.0 118.481 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -141.9 147.99 37.98 Favored 'General case' 0 C--O 1.255 1.371 0 C-N-CA 125.248 1.419 . . . . 0.0 114.01 169.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.2 p -162.91 166.66 23.68 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 126.125 1.77 . . . . 0.0 114.851 -177.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -136.69 154.63 50.56 Favored 'General case' 0 C--N 1.308 -1.201 0 O-C-N 121.236 -0.915 . . . . 0.0 110.966 178.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -116.72 157.37 25.58 Favored 'General case' 0 CA--C 1.573 1.859 0 C-N-CA 123.87 0.868 . . . . 0.0 113.279 176.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.5 p -70.78 145.17 50.57 Favored 'General case' 0 CA--C 1.481 -1.679 0 CA-C-O 127.168 3.366 . . . . 0.0 110.875 -170.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 76.4 mtt-85 -70.22 -16.48 63.06 Favored 'General case' 0 C--N 1.391 2.382 0 CA-C-N 110.74 -2.936 . . . . 0.0 115.841 -175.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -164.82 173.27 11.92 Favored 'General case' 0 CA--C 1.588 2.406 0 C-N-CA 130.705 3.602 . . . . 0.0 112.081 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -74.97 151.73 38.82 Favored 'General case' 0 C--N 1.37 1.487 0 O-C-N 119.189 -2.194 . . . . 0.0 112.444 175.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.4 m -131.24 148.9 72.02 Favored Pre-proline 0 C--O 1.206 -1.205 0 CA-C-O 115.505 -2.188 . . . . 0.0 109.563 175.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.419 ' HB2' ' HB2' ' A' ' 45' ' ' ARG . 48.7 Cg_exo -51.47 154.03 9.41 Favored 'Trans proline' 0 CA--C 1.596 3.597 0 O-C-N 124.94 2.021 . . . . 0.0 114.958 155.347 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 pp -168.93 165.33 11.54 Favored 'General case' 0 C--O 1.192 -1.942 0 CA-C-O 125.116 2.389 . . . . 0.0 106.557 -173.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.7 tp -127.59 141.59 51.59 Favored 'General case' 0 N--CA 1.427 -1.623 0 O-C-N 117.933 -2.979 . . . . 0.0 109.812 172.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . 0.257 35.3 t60 -119.04 152.18 36.89 Favored 'General case' 0 C--O 1.204 -1.327 0 N-CA-C 103.347 -2.835 . . . . 0.0 103.347 174.55 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 99.3 m -141.56 131.41 24.37 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -171.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . 0.362 58.8 t0 -127.59 143.3 51.18 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 116.429 -1.748 . . . . 0.0 113.39 -160.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.6 tp -84.37 77.76 9.93 Favored 'General case' 0 CA--C 1.479 -1.761 0 N-CA-C 118.311 2.708 . . . . 0.0 118.311 172.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.4 pp -64.96 -0.26 0.71 Allowed 'Isoleucine or valine' 1 N--CA 1.547 4.413 0 CA-C-N 110.853 -2.885 . . . . 0.0 117.764 -177.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -126.12 82.91 64.43 Favored Pre-proline 0 C--O 1.268 2.034 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 162.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_exo -51.19 -16.47 2.94 Favored 'Trans proline' 0 C--N 1.37 1.692 1 C-N-CA 126.503 4.802 . . . . 0.0 118.247 172.306 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -71.32 -0.36 37.0 Favored Glycine 0 N--CA 1.482 1.761 0 CA-C-O 115.353 -2.915 . . . . 0.0 119.878 175.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -129.01 159.72 35.02 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-N 122.374 3.087 . . . . 0.0 112.093 -173.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -140.82 -9.27 1.04 Allowed 'General case' 0 C--O 1.256 1.437 0 CA-C-N 112.661 -2.063 . . . . 0.0 114.328 160.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -94.86 137.44 33.92 Favored 'General case' 0 CA--C 1.598 2.824 1 O-C-N 113.448 -5.782 . . . . 0.0 111.223 177.453 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.1 pt -51.66 -22.85 2.72 Favored 'Isoleucine or valine' 0 C--N 1.367 1.364 0 CA-C-O 115.905 -1.998 . . . . 0.0 116.059 -169.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.0 m -54.34 -22.97 13.56 Favored 'General case' 1 C--O 1.305 4.021 0 N-CA-C 118.758 2.873 . . . . 0.0 118.758 168.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -145.75 -5.67 0.62 Allowed 'General case' 0 C--N 1.254 -3.557 0 CA-C-N 114.285 -1.325 . . . . 0.0 112.822 -170.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.2 m -61.21 135.17 57.65 Favored 'General case' 0 CA--C 1.597 2.752 0 O-C-N 120.058 -1.651 . . . . 0.0 111.291 164.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 55.2 mtt-85 -153.51 152.62 31.16 Favored 'General case' 0 C--O 1.185 -2.329 0 CA-C-O 126.779 3.18 . . . . 0.0 111.289 174.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -135.55 166.96 22.0 Favored 'General case' 0 CA--C 1.574 1.892 0 CA-C-O 128.174 3.845 . . . . 0.0 115.578 -150.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -152.66 163.65 39.23 Favored 'General case' 0 C--O 1.28 2.678 0 CA-C-N 112.487 -2.142 . . . . 0.0 113.162 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -100.87 147.86 25.62 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 117.459 -3.276 . . . . 0.0 113.294 -166.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . 0.255 0.9 OUTLIER -147.21 64.48 8.85 Favored Pre-proline 0 N--CA 1.51 2.545 0 O-C-N 118.08 -2.888 . . . . 0.0 112.997 176.632 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . 0.333 44.9 Cg_endo -62.35 174.73 2.48 Favored 'Trans proline' 0 CA--C 1.489 -1.755 0 C-N-CA 124.855 3.703 . . . . 0.0 120.476 170.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 160.98 -178.16 37.06 Favored Glycine 1 CA--C 1.59 4.779 0 CA-C-O 118.315 -1.269 . . . . 0.0 113.172 -167.313 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 66.2 ttt-85 -149.74 119.97 7.29 Favored 'General case' 0 N--CA 1.415 -2.201 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 178.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 84.1 mtm-85 -159.34 172.59 17.7 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-O 116.815 -1.564 . . . . 0.0 111.21 -170.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -67.6 179.56 1.32 Allowed 'General case' 0 CA--C 1.59 2.519 0 N-CA-C 105.288 -2.115 . . . . 0.0 105.288 175.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.742 ' HB3' HG22 ' A' ' 132' ' ' THR . 51.9 p90 -152.15 163.48 39.28 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-O 125.718 2.675 . . . . 0.0 113.606 171.094 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.0 t -128.15 139.36 52.12 Favored 'Isoleucine or valine' 0 C--O 1.278 2.596 0 CA-C-N 113.305 -1.77 . . . . 0.0 113.682 -177.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 17.4 m -142.7 168.21 13.92 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.929 0 C-N-CA 126.912 2.085 . . . . 0.0 116.097 -178.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -133.65 156.02 48.64 Favored 'General case' 0 CA--C 1.599 2.863 0 N-CA-C 104.228 -2.508 . . . . 0.0 104.228 165.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.0 m -141.25 179.37 6.8 Favored 'General case' 0 C--O 1.282 2.768 0 C-N-CA 130.424 3.49 . . . . 0.0 115.316 -164.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -165.41 165.54 19.17 Favored 'General case' 0 N--CA 1.431 -1.395 0 CA-C-N 113.243 -1.799 . . . . 0.0 111.662 -171.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -55.79 145.92 23.01 Favored 'General case' 0 N--CA 1.519 2.978 0 N-CA-C 116.507 2.039 . . . . 0.0 116.507 168.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . 0.317 3.7 ptt180 -52.68 152.43 3.75 Favored 'General case' 0 C--O 1.284 2.873 0 C-N-CA 126.123 1.769 . . . . 0.0 112.614 -174.375 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -73.63 159.68 83.96 Favored Pre-proline 0 C--O 1.209 -1.071 0 CA-C-N 121.914 2.143 . . . . 0.0 114.263 172.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -72.57 -5.15 16.62 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 N-CA-C 117.631 2.127 . . . . 0.0 117.631 -171.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -143.66 -44.12 0.28 Allowed 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 118.97 2.952 . . . . 0.0 118.97 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -61.57 141.66 57.61 Favored 'General case' 0 N--CA 1.5 2.059 0 C-N-CA 125.95 1.7 . . . . 0.0 109.773 174.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 70.5 m 27.63 73.09 0.4 Allowed Pre-proline 0 C--O 1.255 1.379 0 C-N-CA 130.678 3.591 . . . . 0.0 116.939 170.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -75.21 11.19 1.56 Allowed 'Trans proline' 0 CA--C 1.51 -0.688 0 C-N-CA 122.709 2.273 . . . . 0.0 113.971 -174.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -62.08 -11.07 12.03 Favored 'General case' 0 N--CA 1.519 3.009 1 C-N-CA 135.796 5.638 . . . . 0.0 113.915 173.316 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.456 ' CD1' HG11 ' A' ' 52' ' ' VAL . 36.6 m-85 -144.66 138.48 14.55 Favored Pre-proline 0 C--O 1.273 2.294 0 O-C-N 118.752 -2.468 . . . . 0.0 115.458 -172.608 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -69.54 -19.71 36.8 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 CA-C-O 113.61 -2.746 . . . . 0.0 113.305 167.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 15.1 m -145.02 155.05 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 CA-C-N 122.265 2.302 . . . . 0.0 110.732 -176.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 27.5 m -140.33 139.3 20.45 Favored Pre-proline 0 CA--C 1.602 2.959 0 C-N-CA 126.844 2.058 . . . . 0.0 112.303 -177.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.476 ' HB2' ' CE2' ' A' ' 11' ' ' PHE . 84.1 Cg_endo -67.94 135.61 35.66 Favored 'Trans proline' 0 C--N 1.287 -2.707 1 C-N-CA 126.036 4.491 . . . . 0.0 111.544 172.095 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 34.6 m -125.22 -10.59 5.71 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.188 0 O-C-N 117.756 -3.09 . . . . 0.0 113.367 177.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -157.6 143.48 17.45 Favored 'General case' 0 C--O 1.261 1.679 0 C-N-CA 117.233 -1.787 . . . . 0.0 111.74 -177.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 13.1 tp -74.94 173.87 10.06 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 116.503 -1.713 . . . . 0.0 113.531 169.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -139.03 -42.54 0.47 Allowed 'General case' 0 C--O 1.271 2.201 0 CA-C-O 125.859 2.742 . . . . 0.0 114.747 144.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.5 t -168.05 154.01 7.27 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 113.178 -1.828 . . . . 0.0 114.448 -162.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.742 HG22 ' HB3' ' A' ' 107' ' ' TYR . 65.5 p -132.83 126.07 31.46 Favored 'General case' 0 N--CA 1.501 2.115 1 C-N-CA 132.888 4.475 . . . . 0.0 110.669 173.319 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.561 1.366 0 O-C-N 117.199 -3.438 . . . . 0.0 114.981 -154.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 203' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 . . . . . 0 CA--C 1.551 1.01 0 CA-C-O 117.254 -1.355 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . 0.269 10.9 Cg_endo -56.27 172.48 0.63 Allowed 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 125.059 3.839 . . . . 0.0 117.456 -178.125 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -45.08 -35.89 11.04 Favored 'Trans proline' 0 N--CA 1.513 2.662 1 C-N-CA 126.568 4.846 . . . . 0.0 118.022 -175.107 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -148.1 3.87 0.71 Allowed 'General case' 0 CA--C 1.6 2.874 0 O-C-N 120.717 -1.239 . . . . 0.0 113.585 -167.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.368 31.3 m-85 -142.5 147.88 36.74 Favored 'General case' 0 CA--C 1.577 1.985 0 O-C-N 118.765 -2.459 . . . . 0.0 104.839 -162.121 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.8 p -63.4 163.84 10.11 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 125.044 2.354 . . . . 0.0 108.847 159.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.502 ' HG3' HG12 ' A' ' 127' ' ' VAL . 14.8 tpt180 -60.94 -47.91 84.24 Favored 'General case' 0 C--N 1.403 2.924 0 CA-C-N 112.339 -2.21 . . . . 0.0 113.427 175.112 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.73 -31.76 69.92 Favored 'General case' 0 CA--C 1.589 2.475 1 C-N-CA 133.549 4.74 . . . . 0.0 110.311 175.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . 0.262 46.8 mt-30 -81.46 -32.53 32.5 Favored 'General case' 0 C--O 1.263 1.814 0 C-N-CA 126.459 1.904 . . . . 0.0 113.592 171.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -79.07 -30.6 44.04 Favored 'General case' 0 C--O 1.267 2.01 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -59.45 -34.05 72.04 Favored 'General case' 0 C--O 1.244 0.787 0 N-CA-C 115.808 1.781 . . . . 0.0 115.808 157.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . 0.317 . . -71.77 -52.45 17.55 Favored 'General case' 0 CA--C 1.596 2.735 0 CA-C-O 117.633 -1.175 . . . . 0.0 113.178 176.488 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.6 mt -47.69 -41.78 8.57 Favored 'Isoleucine or valine' 0 C--N 1.374 1.654 0 C-N-CA 124.343 1.057 . . . . 0.0 112.266 170.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -82.42 -14.45 55.14 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 120.608 3.559 . . . . 0.0 120.608 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.274 79.7 m-70 -142.6 -10.22 0.82 Allowed 'General case' 0 CA--C 1.578 2.044 0 CA-C-O 114.112 -2.851 . . . . 0.0 116.164 -166.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.4 mm -128.34 113.77 31.4 Favored 'Isoleucine or valine' 0 C--N 1.368 1.371 0 N-CA-C 118.299 2.703 . . . . 0.0 118.299 -168.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 64.8 m -159.87 108.84 1.77 Allowed 'General case' 0 CA--C 1.583 2.243 0 C-N-CA 127.804 2.441 . . . . 0.0 106.066 -176.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.9 tp -67.6 -13.97 62.53 Favored 'General case' 0 C--O 1.269 2.13 0 CA-C-O 113.605 -3.093 . . . . 0.0 112.958 -177.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -158.17 69.22 3.85 Favored Pre-proline 0 CA--C 1.628 3.949 0 N-CA-C 105.109 -2.182 . . . . 0.0 105.109 -177.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.405 ' CB ' ' HD2' ' A' ' 21' ' ' PRO . 2.2 Cg_endo -70.28 169.14 20.28 Favored 'Trans proline' 0 CA--C 1.579 2.758 0 CA-C-N 120.943 1.372 . . . . 0.0 114.062 -161.177 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.405 ' HD2' ' CB ' ' A' ' 20' ' ' PRO . 35.3 Cg_endo -72.34 176.39 8.7 Favored 'Trans proline' 0 C--O 1.261 1.633 0 C-N-CA 124.782 3.655 . . . . 0.0 111.152 166.066 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -64.14 140.77 58.9 Favored 'General case' 0 CA--C 1.581 2.16 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 172.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.401 ' C ' ' H ' ' A' ' 25' ' ' ILE . 12.6 m -45.1 -35.85 3.32 Favored 'General case' 0 C--O 1.255 1.345 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.2 p -58.97 1.07 0.07 Allowed 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 129.078 2.951 . . . . 0.0 115.66 175.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.401 ' H ' ' C ' ' A' ' 23' ' ' CYS . 15.7 mm -136.94 -29.23 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.466 -2.279 0 C-N-CA 127.586 2.354 . . . . 0.0 111.114 -177.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.11 -43.04 59.04 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 121.177 1.808 . . . . 0.0 111.558 176.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 39.9 mmm -50.3 -35.89 29.39 Favored 'General case' 0 C--O 1.205 -1.266 0 O-C-N 119.506 -1.996 . . . . 0.0 114.589 167.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -61.97 -22.8 65.95 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 124.705 2.193 . . . . 0.0 115.335 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.5 -24.08 12.17 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-N 111.428 -2.623 . . . . 0.0 118.039 170.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.83 -46.49 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.582 0 CA-C-O 117.234 -1.365 . . . . 0.0 111.234 165.425 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -80.29 -2.07 43.6 Favored 'General case' 0 CA--C 1.598 2.814 0 CA-C-N 121.214 1.824 . . . . 0.0 115.9 -167.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -95.97 11.21 34.77 Favored 'General case' 0 N--CA 1.521 3.078 0 O-C-N 120.944 -1.097 . . . . 0.0 109.3 165.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -131.39 -34.74 1.37 Allowed 'General case' 0 C--N 1.293 -1.872 0 C-N-CA 130.691 3.596 . . . . 0.0 117.316 -177.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -83.87 168.76 15.79 Favored 'General case' 0 N--CA 1.532 3.655 0 CA-C-N 122.116 2.235 . . . . 0.0 108.754 165.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -14.25 61.88 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 122.91 1.338 . . . . 0.0 112.676 -173.57 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -153.54 157.24 39.46 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.205 -173.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 85.9 m -69.93 120.11 15.16 Favored 'General case' 0 C--N 1.362 1.151 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.7 tttt -57.56 122.57 13.03 Favored 'General case' 0 CA--C 1.57 1.744 0 C-N-CA 127.264 2.226 . . . . 0.0 113.691 157.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -59.06 -47.21 86.05 Favored 'General case' 0 C--O 1.272 2.255 0 C-N-CA 128.313 2.645 . . . . 0.0 108.519 -170.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -145.11 151.07 37.91 Favored 'General case' 0 C--O 1.194 -1.842 0 C-N-CA 125.66 1.584 . . . . 0.0 108.569 -171.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -154.65 161.11 41.71 Favored 'General case' 0 N--CA 1.415 -2.201 0 C-N-CA 127.574 2.349 . . . . 0.0 108.35 170.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.5 m -131.29 134.39 46.33 Favored 'General case' 0 CA--C 1.478 -1.805 0 C-N-CA 128.118 2.567 . . . . 0.0 111.27 175.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -110.99 111.17 22.09 Favored 'General case' 0 N--CA 1.415 -2.19 1 C-N-CA 133.277 4.631 . . . . 0.0 113.363 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 75.0 mt -72.35 128.45 35.67 Favored 'General case' 0 C--N 1.374 1.643 0 N-CA-C 116.911 2.189 . . . . 0.0 116.911 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -80.59 76.62 7.45 Favored 'General case' 0 N--CA 1.505 2.312 0 CA-C-N 119.679 1.127 . . . . 0.0 111.451 171.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.271 1.2 t -158.05 175.03 14.32 Favored 'General case' 0 C--O 1.255 1.35 0 CA-C-O 125.565 2.602 . . . . 0.0 107.661 -174.033 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.3 p -115.93 148.96 39.48 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 111.371 -2.65 . . . . 0.0 116.401 -179.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -56.96 -38.97 73.7 Favored 'General case' 0 N--CA 1.5 2.033 0 C-N-CA 127.762 2.425 . . . . 0.0 114.604 -173.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.27 -20.45 63.92 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.86 -0.525 . . . . 0.0 111.615 177.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -72.93 -44.94 60.6 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 126.807 3.194 . . . . 0.0 114.577 175.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.5 t -67.25 -29.01 44.43 Favored 'Isoleucine or valine' 0 C--O 1.267 2.003 0 C-N-CA 127.422 2.289 . . . . 0.0 116.027 174.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 97.7 t -64.89 -30.6 50.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 120.0 1.273 . . . . 0.0 113.823 168.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -68.81 -16.14 63.7 Favored 'General case' 0 CA--C 1.584 2.265 0 O-C-N 119.757 -1.84 . . . . 0.0 114.058 166.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.4 t -79.83 -39.41 19.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 CA-C-N 122.049 2.204 . . . . 0.0 110.224 165.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 58.5 m -57.2 -22.54 41.49 Favored 'General case' 0 N--CA 1.517 2.923 0 N-CA-C 117.775 2.509 . . . . 0.0 117.775 169.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.04 -8.22 45.27 Favored Glycine 0 CA--C 1.546 1.99 1 C-N-CA 131.986 4.612 . . . . 0.0 113.082 176.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -52.35 151.69 3.88 Favored 'General case' 0 N--CA 1.503 2.213 0 CA-C-N 118.597 1.198 . . . . 0.0 112.275 152.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -38.18 148.82 0.04 OUTLIER 'General case' 0 C--N 1.375 1.687 0 CA-C-O 123.614 1.673 . . . . 0.0 114.513 172.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.2 m -79.37 131.96 36.27 Favored 'General case' 0 N--CA 1.499 1.986 0 CA-C-O 125.729 2.68 . . . . 0.0 110.262 171.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 13.6 pt -131.07 -172.06 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 C-N-CA 127.509 2.324 . . . . 0.0 105.523 173.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -142.24 146.11 34.8 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 130.131 3.372 . . . . 0.0 115.452 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 65.9 m -131.06 157.9 76.75 Favored Pre-proline 1 CA--C 1.632 4.099 0 CA-C-O 116.64 -1.648 . . . . 0.0 112.668 -158.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -59.66 -19.02 51.11 Favored 'Trans proline' 0 C--N 1.325 -0.685 1 N-CA-C 124.261 4.677 . . . . 0.0 124.261 172.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -131.79 58.36 1.74 Allowed 'General case' 0 CA--C 1.578 2.026 0 O-C-N 120.268 -1.52 . . . . 0.0 110.654 -168.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -151.46 -0.87 0.34 Allowed 'General case' 0 C--O 1.198 -1.625 0 N-CA-C 119.09 2.996 . . . . 0.0 119.09 -153.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.4 ptt-85 -48.31 -20.78 0.43 Allowed 'General case' 0 CA--C 1.541 0.63 1 C-N-CA 132.118 4.167 . . . . 0.0 115.059 -176.168 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.6 p -60.64 -25.23 66.15 Favored 'General case' 0 CA--C 1.581 2.135 0 CA-C-N 121.916 2.144 . . . . 0.0 112.872 167.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.302 2.4 pt? -141.32 -16.16 0.84 Allowed 'General case' 0 CA--C 1.589 2.459 0 O-C-N 118.445 -2.659 . . . . 0.0 116.225 -176.02 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.4 t30 51.49 33.18 9.9 Favored 'General case' 0 CA--C 1.613 3.401 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -168.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -146.54 140.72 26.35 Favored 'General case' 0 C--O 1.299 3.668 0 C-N-CA 123.723 0.809 . . . . 0.0 112.031 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.5 p -142.34 -178.68 5.86 Favored 'General case' 0 CA--C 1.564 1.509 0 CA-C-O 122.8 1.286 . . . . 0.0 111.557 172.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -147.41 147.0 29.79 Favored 'General case' 0 CA--C 1.563 1.467 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 171.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -121.62 155.53 34.9 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 124.363 1.04 . . . . 0.0 113.05 178.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.1 p -71.47 167.47 19.56 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 125.253 2.454 . . . . 0.0 109.12 -167.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 78.4 mtt-85 -92.01 -27.28 17.92 Favored 'General case' 0 N--CA 1.505 2.29 0 CA-C-O 123.78 1.752 . . . . 0.0 111.179 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -143.73 172.98 12.08 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-O 117.632 -1.175 . . . . 0.0 112.341 -176.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . 0.312 42.7 mtm180 -89.35 155.69 19.19 Favored 'General case' 0 N--CA 1.422 -1.826 0 O-C-N 125.01 1.444 . . . . 0.0 107.534 171.199 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.0 m -141.34 153.11 65.73 Favored Pre-proline 0 CA--C 1.577 2.011 0 C-N-CA 125.925 1.69 . . . . 0.0 107.445 174.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -54.45 146.52 51.84 Favored 'Trans proline' 0 C--N 1.378 2.103 0 C-N-CA 122.419 2.079 . . . . 0.0 112.12 165.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.0 pp -149.55 160.89 43.11 Favored 'General case' 0 N--CA 1.435 -1.187 0 O-C-N 125.247 1.592 . . . . 0.0 114.385 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.2 tp -129.12 106.91 9.17 Favored 'General case' 0 CA--C 1.559 1.304 0 CA-C-O 125.366 2.508 . . . . 0.0 107.299 176.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -76.57 145.07 39.24 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 127.299 2.239 . . . . 0.0 111.26 169.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 48.5 m -136.35 146.64 46.76 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 120.093 1.315 . . . . 0.0 108.221 -169.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 15.4 t70 -147.94 114.98 6.15 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 125.223 1.577 . . . . 0.0 109.882 -152.427 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 38.0 tp -60.72 94.07 0.03 OUTLIER 'General case' 0 C--N 1.39 2.362 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 170.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.3 pt -61.67 -10.02 3.68 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.428 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 174.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.284 52.2 t30 -112.14 59.89 0.55 Allowed Pre-proline 0 C--N 1.292 -1.917 0 C-N-CA 126.069 1.748 . . . . 0.0 113.717 174.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -57.54 -16.13 22.74 Favored 'Trans proline' 0 N--CA 1.498 1.774 0 CA-C-N 123.727 2.367 . . . . 0.0 113.678 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -44.31 -16.15 0.05 OUTLIER Glycine 0 C--N 1.361 1.955 0 O-C-N 117.976 -2.953 . . . . 0.0 117.608 168.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -142.78 173.49 11.49 Favored 'General case' 1 CA--C 1.631 4.089 0 O-C-N 125.393 1.29 . . . . 0.0 113.84 -162.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -156.44 -19.65 0.1 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 125.238 1.415 . . . . 0.0 114.484 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -60.35 128.78 38.4 Favored 'General case' 0 CA--C 1.599 2.832 0 CA-C-N 120.675 1.579 . . . . 0.0 115.044 155.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 15.6 pt -44.26 -36.01 1.17 Allowed 'Isoleucine or valine' 0 C--O 1.273 2.338 0 CA-C-O 114.438 -2.696 . . . . 0.0 113.747 161.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.5 m -65.13 -5.5 6.82 Favored 'General case' 0 N--CA 1.507 2.425 0 O-C-N 127.626 3.079 . . . . 0.0 115.286 174.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -140.75 -7.71 1.09 Allowed 'General case' 0 CA--C 1.588 2.408 0 N-CA-C 119.056 2.984 . . . . 0.0 119.056 172.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 74.1 m -64.35 144.8 56.9 Favored 'General case' 0 C--O 1.259 1.555 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 169.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -143.8 152.53 41.33 Favored 'General case' 0 C--N 1.387 2.239 0 N-CA-C 105.951 -1.87 . . . . 0.0 105.951 177.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' A' ' 84' ' ' ASP . 19.6 m-85 -134.41 168.4 19.0 Favored 'General case' 0 N--CA 1.513 2.701 0 CA-C-N 120.047 1.294 . . . . 0.0 113.404 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -147.56 149.7 33.08 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 127.332 2.253 . . . . 0.0 111.722 -176.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -76.39 143.73 40.48 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 125.477 1.511 . . . . 0.0 112.792 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -145.28 92.0 5.72 Favored Pre-proline 0 N--CA 1.509 2.521 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 178.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -70.26 170.86 16.16 Favored 'Trans proline' 0 C--O 1.264 1.788 1 C-N-CA 126.623 4.882 . . . . 0.0 110.946 176.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 178.53 176.59 46.55 Favored Glycine 0 CA--C 1.477 -2.287 0 C-N-CA 128.948 3.166 . . . . 0.0 108.34 172.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -144.15 97.44 3.05 Favored 'General case' 0 CA--C 1.563 1.46 0 CA-C-O 115.384 -2.246 . . . . 0.0 113.766 171.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 91.7 mtm-85 -134.13 160.28 38.28 Favored 'General case' 0 N--CA 1.511 2.623 0 C-N-CA 129.814 3.246 . . . . 0.0 112.178 -163.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . 0.291 29.4 m-85 -72.23 158.39 35.94 Favored 'General case' 0 CA--C 1.585 2.319 0 N-CA-C 106.703 -1.592 . . . . 0.0 106.703 164.082 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -141.77 166.12 25.61 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 113.031 -1.895 . . . . 0.0 112.919 -176.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.3 t -141.18 138.06 33.62 Favored 'Isoleucine or valine' 0 C--O 1.255 1.368 0 CA-C-N 114.503 -1.226 . . . . 0.0 113.238 -169.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.2 m -141.04 160.16 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.493 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -169.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -101.99 148.47 25.32 Favored 'General case' 0 C--O 1.269 2.09 0 C-N-CA 116.889 -1.924 . . . . 0.0 109.969 160.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 85.6 m -126.33 168.43 14.16 Favored 'General case' 0 N--CA 1.399 -3.013 0 O-C-N 118.746 -2.471 . . . . 0.0 104.674 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -144.45 169.22 18.36 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 113.843 -1.526 . . . . 0.0 112.738 -176.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . 0.281 31.4 t30 -65.64 147.42 53.42 Favored 'General case' 0 CA--C 1.552 1.057 0 O-C-N 117.738 -3.101 . . . . 0.0 112.454 167.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.98 136.01 2.23 Favored 'General case' 0 CA--C 1.578 2.02 0 C-N-CA 131.246 3.819 . . . . 0.0 115.917 165.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -50.25 146.42 8.69 Favored Pre-proline 0 N--CA 1.496 1.866 0 C-N-CA 127.563 2.345 . . . . 0.0 108.166 169.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -49.81 -28.28 17.56 Favored 'Trans proline' 0 N--CA 1.439 -1.714 0 C-N-CA 124.533 3.488 . . . . 0.0 116.304 175.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 69.7 mtt85 -130.5 -36.77 1.43 Allowed 'General case' 0 CA--C 1.571 1.76 0 CA-C-N 120.554 1.524 . . . . 0.0 112.965 -164.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -94.47 141.23 28.83 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 124.607 1.192 . . . . 0.0 108.61 -171.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.8 m 40.54 69.87 1.74 Allowed Pre-proline 0 C--N 1.31 -1.149 0 N-CA-C 119.669 3.211 . . . . 0.0 119.669 178.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -75.11 -27.89 9.45 Favored 'Trans proline' 0 CA--C 1.557 1.659 0 N-CA-C 119.389 2.803 . . . . 0.0 119.389 -177.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.54 -13.8 54.39 Favored 'General case' 0 C--O 1.211 -0.93 0 C-N-CA 124.003 0.921 . . . . 0.0 112.019 -168.467 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -89.92 113.67 57.91 Favored Pre-proline 0 C--N 1.289 -2.023 0 C-N-CA 126.834 2.054 . . . . 0.0 106.874 174.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -69.28 -20.3 37.27 Favored 'Trans proline' 0 CA--C 1.575 2.542 0 CA-C-N 120.74 1.3 . . . . 0.0 108.932 -174.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.2 m -151.71 160.94 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 127.987 2.515 . . . . 0.0 104.53 -172.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 20.6 m -145.87 141.2 16.43 Favored Pre-proline 0 C--N 1.347 0.492 0 C-N-CA 130.13 3.372 . . . . 0.0 115.353 -171.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.86 143.59 45.94 Favored 'Trans proline' 0 C--N 1.362 1.273 1 C-N-CA 125.339 4.026 . . . . 0.0 109.043 178.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.502 HG12 ' HG3' ' A' ' 7' ' ' ARG . 3.0 m -142.56 -19.11 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.612 3.357 0 CA-C-N 120.736 1.607 . . . . 0.0 112.542 -169.376 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -148.87 139.73 22.87 Favored 'General case' 0 CA--C 1.592 2.578 0 O-C-N 124.317 1.01 . . . . 0.0 110.698 176.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 24.3 tp -106.03 122.53 46.34 Favored 'General case' 0 N--CA 1.508 2.458 0 CA-C-O 115.75 -2.071 . . . . 0.0 108.602 170.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -95.44 -50.5 4.97 Favored 'General case' 0 N--CA 1.423 -1.793 0 O-C-N 126.761 2.538 . . . . 0.0 117.409 177.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . 0.299 9.1 t -162.61 167.44 23.24 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-N 120.176 1.353 . . . . 0.0 107.634 -176.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 19.0 p -133.07 129.62 38.27 Favored 'General case' 0 CA--C 1.591 2.529 0 C-N-CA 128.617 2.767 . . . . 0.0 112.392 173.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.254 0.0 OUTLIER . . . . . 0 C--N 1.401 2.807 0 O-C-N 118.857 -2.402 . . . . 0.0 109.482 -163.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 203' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 29.3 ttt85 . . . . . 0 N--CA 1.504 2.27 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -56.88 163.56 7.28 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 122.677 2.252 . . . . 0.0 115.642 168.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 99.6 Cg_exo -50.31 -31.37 29.51 Favored 'Trans proline' 0 N--CA 1.533 3.819 0 C-N-CA 124.398 3.399 . . . . 0.0 115.495 177.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.3 13.9 pt20 -145.28 -2.61 0.77 Allowed 'General case' 0 C--O 1.257 1.48 0 CA-C-N 121.45 1.932 . . . . 0.0 109.376 -176.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -133.44 169.88 16.31 Favored 'General case' 0 N--CA 1.504 2.258 0 CA-C-N 122.259 2.3 . . . . 0.0 111.168 -170.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.5 p -80.96 177.88 8.77 Favored 'General case' 0 N--CA 1.504 2.271 0 CA-C-N 120.79 1.632 . . . . 0.0 107.679 154.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -67.63 -35.66 79.35 Favored 'General case' 0 C--O 1.263 1.81 0 CA-C-N 114.894 -1.048 . . . . 0.0 112.728 177.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . 0.253 . . -77.97 -32.56 51.45 Favored 'General case' 0 C--N 1.371 1.52 0 O-C-N 124.758 1.286 . . . . 0.0 111.831 179.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -64.43 -46.44 83.19 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 127.364 2.266 . . . . 0.0 109.66 169.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -68.83 -33.89 74.58 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 118.2 -2.812 . . . . 0.0 110.467 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -68.2 -34.08 75.6 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 117.457 -1.259 . . . . 0.0 113.858 176.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.4 -73.54 0.04 OUTLIER 'General case' 0 N--CA 1.512 2.633 0 C-N-CA 125.206 1.402 . . . . 0.0 111.011 164.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.3 mt -46.06 -41.08 3.93 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 O-C-N 127.65 3.094 . . . . 0.0 109.312 -168.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -81.16 -17.99 47.88 Favored 'General case' 0 C--O 1.274 2.351 0 O-C-N 125.013 1.446 . . . . 0.0 113.274 -174.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.406 ' O ' HD13 ' A' ' 16' ' ' ILE . 76.2 m-70 -156.95 -11.05 0.09 Allowed 'General case' 0 C--O 1.189 -2.106 0 N-CA-C 119.296 3.073 . . . . 0.0 119.296 -156.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.406 HD13 ' O ' ' A' ' 15' ' ' HIS . 40.4 mm -132.33 121.65 46.34 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.506 0 O-C-N 118.058 -2.901 . . . . 0.0 104.534 -179.075 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.3 m -158.21 129.83 6.71 Favored 'General case' 0 N--CA 1.412 -2.357 0 C-N-CA 129.305 3.042 . . . . 0.0 108.88 168.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.296 21.7 tp -73.68 -33.77 64.59 Favored 'General case' 0 N--CA 1.534 3.734 0 CA-C-N 114.103 -1.408 . . . . 0.0 112.211 -172.485 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . 0.255 9.6 p-10 -134.68 76.56 60.22 Favored Pre-proline 0 N--CA 1.498 1.956 0 N-CA-C 114.247 1.202 . . . . 0.0 114.247 167.198 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.85 164.25 35.08 Favored 'Trans proline' 0 N--CA 1.52 3.031 0 C-N-CA 117.516 -1.189 . . . . 0.0 113.603 -169.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.88 176.88 6.28 Favored 'Trans proline' 0 C--O 1.198 -1.492 0 O-C-N 125.269 2.194 . . . . 0.0 109.324 169.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -65.4 160.45 21.93 Favored 'General case' 0 C--N 1.361 1.068 0 O-C-N 116.51 -3.869 . . . . 0.0 112.364 172.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 93.9 m -58.63 -38.01 77.13 Favored 'General case' 0 C--O 1.208 -1.132 0 CA-C-N 113.213 -1.812 . . . . 0.0 115.86 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.6 p -34.74 -32.61 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 120.014 3.338 . . . . 0.0 120.014 160.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.7 mm -116.51 -36.21 1.99 Allowed 'Isoleucine or valine' 0 C--O 1.265 1.894 0 CA-C-O 114.832 -2.509 . . . . 0.0 113.11 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.81 -20.84 64.33 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-N 124.203 3.183 . . . . 0.0 113.678 175.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 47.0 mmm -69.57 -28.26 65.83 Favored 'General case' 0 N--CA 1.414 -2.232 0 C-N-CA 119.089 -1.045 . . . . 0.0 113.363 176.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -58.92 -37.02 75.73 Favored 'General case' 0 N--CA 1.512 2.645 0 C-N-CA 128.005 2.522 . . . . 0.0 111.674 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.401 . . -49.65 -27.74 5.03 Favored 'General case' 0 C--N 1.364 1.207 0 CA-C-N 121.217 1.826 . . . . 0.0 111.965 175.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . 0.265 0.1 OUTLIER -109.32 -61.87 2.36 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.377 0 O-C-N 120.444 -1.41 . . . . 0.0 109.022 170.339 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -65.62 -7.38 14.75 Favored 'General case' 0 N--CA 1.414 -2.256 0 CA-C-N 124.032 3.105 . . . . 0.0 117.322 -169.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -116.92 16.66 15.14 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 118.074 -2.892 . . . . 0.0 109.353 175.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -137.85 -36.33 0.62 Allowed 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 126.727 2.011 . . . . 0.0 111.954 -169.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -95.76 163.33 13.22 Favored 'General case' 0 N--CA 1.414 -2.273 0 C-N-CA 127.42 2.288 . . . . 0.0 111.962 169.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -68.07 -20.08 64.93 Favored 'General case' 0 CA--C 1.569 1.698 0 O-C-N 119.318 -2.114 . . . . 0.0 114.569 -158.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -145.34 163.19 35.31 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 128.642 2.777 . . . . 0.0 114.859 -178.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.6 m -63.04 121.17 12.93 Favored 'General case' 0 CA--C 1.577 2.016 0 O-C-N 119.419 -2.051 . . . . 0.0 116.322 168.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.481 ' HG2' ' HN ' ' A' ' 203' ' ' SGN . 35.1 tttt -70.8 139.59 51.0 Favored 'General case' 1 N--CA 1.562 5.169 0 C-N-CA 125.37 1.468 . . . . 0.0 109.418 159.201 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -72.22 -42.76 65.37 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-O 117.673 -1.156 . . . . 0.0 113.652 -177.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -148.61 158.82 44.39 Favored 'General case' 0 CA--C 1.561 1.385 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -168.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -169.76 144.92 2.94 Favored 'General case' 0 C--O 1.199 -1.599 0 O-C-N 120.078 -1.639 . . . . 0.0 110.912 -177.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.4 m -111.78 145.45 39.37 Favored 'General case' 0 C--O 1.201 -1.478 0 C-N-CA 126.408 1.883 . . . . 0.0 110.691 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -133.11 143.72 49.47 Favored 'General case' 0 N--CA 1.51 2.533 0 C-N-CA 127.13 2.172 . . . . 0.0 108.871 177.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.0 mt -107.97 139.97 41.8 Favored 'General case' 0 C--N 1.387 2.231 0 O-C-N 124.633 1.208 . . . . 0.0 109.827 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -90.06 86.39 6.56 Favored 'General case' 0 C--N 1.366 1.307 0 CA-C-O 123.337 1.541 . . . . 0.0 109.33 172.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.2 t -160.25 -167.72 2.0 Allowed 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 112.436 -2.166 . . . . 0.0 109.296 -170.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . 0.252 69.0 p -136.0 158.55 44.13 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.95 1.7 . . . . 0.0 108.8 -165.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -71.23 -55.88 7.19 Favored 'General case' 0 CA--C 1.579 2.077 0 C-N-CA 116.127 -2.229 . . . . 0.0 112.841 -165.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.22 -21.33 59.36 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.114 1.366 . . . . 0.0 112.282 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -65.55 -35.12 79.91 Favored 'General case' 0 CA--C 1.589 2.461 0 CA-C-O 115.56 -2.162 . . . . 0.0 114.284 161.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.0 t -84.82 -26.96 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.926 0 CA-C-O 114.756 -2.545 . . . . 0.0 107.406 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 97.4 t -59.29 -40.69 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.936 0 CA-C-N 120.784 1.629 . . . . 0.0 110.183 166.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -68.8 -9.72 52.66 Favored 'General case' 0 CA--C 1.619 3.622 1 O-C-N 115.432 -4.543 . . . . 0.0 110.202 -178.154 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.7 t -89.97 -31.68 5.33 Favored 'Isoleucine or valine' 0 C--N 1.394 2.541 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 173.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 78.4 m -61.19 -25.26 66.91 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-O 115.919 -1.991 . . . . 0.0 112.006 155.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -93.73 -16.51 45.13 Favored Glycine 0 C--O 1.273 2.585 0 O-C-N 128.406 3.566 . . . . 0.0 114.634 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -61.27 162.55 7.48 Favored 'General case' 0 CA--C 1.59 2.505 0 N-CA-C 102.648 -3.093 . . . . 0.0 102.648 160.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . 0.255 52.9 mt-30 -57.25 147.74 24.52 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 114.458 -2.687 . . . . 0.0 114.256 -177.031 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 m -64.85 152.0 44.05 Favored 'General case' 0 C--O 1.269 2.098 0 N-CA-C 117.118 2.266 . . . . 0.0 117.118 173.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.2 pt -151.04 178.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.258 0 C-N-CA 125.947 1.699 . . . . 0.0 107.426 169.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.4 ptt-85 -134.53 144.29 47.92 Favored 'General case' 0 C--N 1.361 1.077 1 O-C-N 115.489 -4.507 . . . . 0.0 111.156 172.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 57.5 m -113.5 170.53 5.24 Favored Pre-proline 0 CA--C 1.61 3.27 0 N-CA-C 116.693 2.108 . . . . 0.0 116.693 -162.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -83.53 -1.54 10.19 Favored 'Trans proline' 0 N--CA 1.529 3.606 0 C-N-CA 125.286 3.99 . . . . 0.0 115.535 -173.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -132.87 22.3 4.2 Favored 'General case' 0 C--N 1.286 -2.19 0 C-N-CA 124.022 0.929 . . . . 0.0 109.223 -175.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -129.46 8.21 5.42 Favored 'General case' 0 N--CA 1.513 2.691 0 C-N-CA 126.281 1.832 . . . . 0.0 115.342 -158.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.8 ptt-85 -43.56 -36.42 2.08 Favored 'General case' 0 C--O 1.217 -0.623 0 C-N-CA 127.407 2.283 . . . . 0.0 115.561 -177.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.0 p -51.8 -38.71 56.8 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 128.689 2.795 . . . . 0.0 111.913 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.362 2.3 pt? -128.5 -10.1 5.11 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 113.713 -3.042 . . . . 0.0 114.306 176.021 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.9 t30 57.17 25.87 11.48 Favored 'General case' 0 N--CA 1.434 -1.225 0 O-C-N 126.64 2.462 . . . . 0.0 115.021 167.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -152.31 136.59 16.65 Favored 'General case' 0 N--CA 1.438 -1.033 0 O-C-N 117.725 -3.109 . . . . 0.0 106.457 -175.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.1 p -155.66 178.44 10.25 Favored 'General case' 0 C--N 1.365 1.276 0 CA-C-O 117.152 -1.404 . . . . 0.0 110.655 -172.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -152.78 154.52 35.35 Favored 'General case' 0 N--CA 1.408 -2.535 0 CA-C-O 124.488 2.09 . . . . 0.0 109.383 175.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -124.88 153.68 42.24 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 123.613 1.673 . . . . 0.0 111.323 173.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 94.7 p -65.9 164.8 14.26 Favored 'General case' 0 N--CA 1.515 2.822 0 CA-C-N 114.196 -1.366 . . . . 0.0 113.973 -175.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 47.6 mtt-85 -101.47 -18.01 16.18 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 114.522 -1.217 . . . . 0.0 113.988 -172.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -138.68 168.76 19.1 Favored 'General case' 0 CA--C 1.605 3.06 0 O-C-N 127.252 2.845 . . . . 0.0 111.31 172.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.4 mtm180 -67.82 148.85 50.65 Favored 'General case' 0 C--O 1.2 -1.523 0 O-C-N 118.111 -2.868 . . . . 0.0 112.513 163.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.2 m -131.09 153.24 81.69 Favored Pre-proline 0 N--CA 1.512 2.627 0 O-C-N 118.61 -2.557 . . . . 0.0 112.981 173.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -70.4 161.57 45.53 Favored 'Trans proline' 0 CA--C 1.483 -2.039 0 CA-C-N 124.202 2.536 . . . . 0.0 112.795 169.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 pp -155.67 176.28 12.82 Favored 'General case' 0 CA--C 1.562 1.434 0 O-C-N 126.77 2.543 . . . . 0.0 115.839 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 44.2 tp -132.22 141.72 49.16 Favored 'General case' 0 CA--C 1.576 1.974 0 C-N-CA 128.317 2.647 . . . . 0.0 110.44 168.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -120.46 156.58 31.17 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 105.885 -1.894 . . . . 0.0 105.885 162.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 91.2 m -129.59 144.5 51.3 Favored 'General case' 0 CA--C 1.487 -1.442 0 CA-C-N 113.886 -1.506 . . . . 0.0 107.285 -170.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -129.25 118.46 22.38 Favored 'General case' 0 C--O 1.274 2.351 0 C-N-CA 127.274 2.23 . . . . 0.0 111.912 -169.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.6 tp -68.61 107.6 3.02 Favored 'General case' 0 C--O 1.189 -2.096 0 CA-C-N 121.076 1.762 . . . . 0.0 111.025 169.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.4 pt -80.99 9.74 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.581 2.162 0 CA-C-O 122.816 1.294 . . . . 0.0 111.266 -175.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -130.52 66.42 78.4 Favored Pre-proline 0 N--CA 1.533 3.725 0 O-C-N 120.094 -1.629 . . . . 0.0 111.542 175.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -59.38 -17.69 41.74 Favored 'Trans proline' 0 N--CA 1.509 2.441 0 C-N-CA 124.447 3.431 . . . . 0.0 118.821 -154.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -103.34 -15.27 23.76 Favored Glycine 0 N--CA 1.511 3.698 1 C-N-CA 131.561 4.41 . . . . 0.0 116.211 174.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.29 149.66 28.15 Favored 'General case' 1 N--CA 1.544 4.226 0 CA-C-N 121.304 2.552 . . . . 0.0 112.191 160.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -144.59 3.33 1.12 Allowed 'General case' 0 N--CA 1.425 -1.722 0 C-N-CA 127.336 2.254 . . . . 0.0 110.958 -172.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -127.07 129.07 47.29 Favored 'General case' 0 N--CA 1.504 2.251 0 C-N-CA 129.383 3.073 . . . . 0.0 111.493 175.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 29.9 pt -56.28 -14.92 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 172.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.0 m -55.97 -14.97 2.86 Favored 'General case' 0 CA--C 1.586 2.334 1 O-C-N 114.846 -4.909 . . . . 0.0 115.47 161.275 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -148.71 -4.45 0.44 Allowed 'General case' 0 CA--C 1.596 2.724 0 O-C-N 120.297 -1.502 . . . . 0.0 111.535 177.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 72.4 m -66.38 133.55 50.72 Favored 'General case' 0 CA--C 1.583 2.243 0 O-C-N 119.38 -2.075 . . . . 0.0 113.261 171.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -130.65 163.7 26.62 Favored 'General case' 0 CA--C 1.574 1.888 0 O-C-N 120.556 -1.34 . . . . 0.0 109.855 173.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -133.22 163.2 29.81 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.668 1.987 . . . . 0.0 112.766 -167.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -143.62 -175.87 4.74 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 116.991 -1.48 . . . . 0.0 111.184 159.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -116.59 140.34 49.5 Favored 'General case' 0 N--CA 1.52 3.067 0 C-N-CA 127.538 2.335 . . . . 0.0 108.644 -166.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -131.82 83.63 56.73 Favored Pre-proline 0 C--N 1.274 -2.714 0 CA-C-N 113.934 -1.484 . . . . 0.0 114.997 162.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -56.46 142.36 89.38 Favored 'Trans proline' 0 C--N 1.382 2.298 1 C-N-CA 125.73 4.287 . . . . 0.0 114.425 168.423 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -168.45 -164.24 23.81 Favored Glycine 0 C--O 1.203 -1.791 0 O-C-N 125.794 1.934 . . . . 0.0 111.989 -178.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -160.32 104.45 1.45 Allowed 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 116.7 -1.619 . . . . 0.0 108.939 -166.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 39.9 mtm-85 -141.13 169.88 16.78 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 116.304 1.965 . . . . 0.0 116.304 -170.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -73.28 166.08 23.84 Favored 'General case' 0 N--CA 1.538 3.957 0 CA-C-N 112.304 -2.226 . . . . 0.0 111.479 156.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.423 ' HB3' HG22 ' A' ' 132' ' ' THR . 21.1 p90 -148.01 171.95 15.0 Favored 'General case' 0 C--O 1.206 -1.196 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 175.246 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.8 t -138.1 119.5 17.37 Favored 'Isoleucine or valine' 0 C--O 1.305 3.987 1 C-N-CA 132.812 4.445 . . . . 0.0 109.797 -171.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.8 m -129.41 165.48 29.28 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.412 0 C-N-CA 126.761 2.024 . . . . 0.0 111.257 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -120.25 152.26 38.01 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 117.715 -3.116 . . . . 0.0 111.637 165.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 74.4 m -142.5 157.76 44.4 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 126.492 2.37 . . . . 0.0 111.554 -163.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -150.15 -179.77 7.45 Favored 'General case' 0 CA--C 1.585 2.309 0 CA-C-N 113.16 -1.836 . . . . 0.0 112.574 -170.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -67.06 148.3 52.08 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 123.417 0.687 . . . . 0.0 109.828 175.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -52.21 156.53 1.63 Allowed 'General case' 0 N--CA 1.495 1.819 0 CA-C-O 127.743 3.64 . . . . 0.0 109.25 178.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -62.14 144.16 94.63 Favored Pre-proline 0 CA--C 1.599 2.863 0 O-C-N 118.676 -2.515 . . . . 0.0 109.159 161.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -54.41 -19.09 16.32 Favored 'Trans proline' 0 N--CA 1.534 3.877 0 CA-C-O 111.32 -3.7 . . . . 0.0 116.517 172.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -139.49 -23.54 0.88 Allowed 'General case' 0 N--CA 1.516 2.84 1 CA-C-N 128.244 5.02 . . . . 0.0 115.31 172.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -75.35 146.38 40.95 Favored 'General case' 0 C--N 1.406 3.055 0 O-C-N 120.659 -1.275 . . . . 0.0 110.427 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.4 m 44.55 66.57 4.88 Favored Pre-proline 0 N--CA 1.506 2.351 0 N-CA-C 116.834 2.161 . . . . 0.0 116.834 170.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.26 -12.02 25.18 Favored 'Trans proline' 0 N--CA 1.5 1.881 0 N-CA-C 121.097 3.46 . . . . 0.0 121.097 -170.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -70.37 -21.86 62.83 Favored 'General case' 0 CA--C 1.574 1.879 0 CA-C-O 121.495 0.664 . . . . 0.0 111.448 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -110.33 95.59 22.86 Favored Pre-proline 0 C--O 1.262 1.763 0 O-C-N 117.65 -3.156 . . . . 0.0 111.345 -171.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -58.68 -24.51 71.19 Favored 'Trans proline' 0 N--CA 1.443 -1.478 0 C-N-CA 124.35 3.366 . . . . 0.0 116.905 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 35.0 m -128.2 144.76 36.78 Favored 'Isoleucine or valine' 0 C--N 1.374 1.661 0 O-C-N 126.227 2.204 . . . . 0.0 111.974 169.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 3.3 m -148.5 154.59 41.58 Favored Pre-proline 0 N--CA 1.519 3.007 0 C-N-CA 127.321 2.249 . . . . 0.0 111.041 -169.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -72.68 144.53 39.78 Favored 'Trans proline' 1 CA--C 1.429 -4.737 0 O-C-N 128.547 3.92 . . . . 0.0 110.705 178.006 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 19.1 m -131.18 -15.73 1.57 Allowed 'Isoleucine or valine' 0 CA--C 1.586 2.332 0 O-C-N 125.675 1.859 . . . . 0.0 112.288 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.491 ' CE1' ' HN9' ' A' ' 201' ' ' LVZ . 2.5 t60 -153.79 155.49 35.94 Favored 'General case' 0 N--CA 1.505 2.277 2 O-C-N 116.231 -4.043 . . . . 0.0 119.762 -174.829 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 15.4 tp -138.43 142.0 39.52 Favored 'General case' 0 N--CA 1.506 2.332 0 N-CA-C 105.162 -2.162 . . . . 0.0 105.162 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -122.82 -34.12 3.26 Favored 'General case' 0 CA--C 1.576 1.954 0 N-CA-C 119.061 2.985 . . . . 0.0 119.061 -170.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.2 t -160.61 170.99 19.73 Favored 'General case' 0 CA--C 1.562 1.438 0 CA-C-N 113.323 -1.762 . . . . 0.0 111.754 -170.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.423 HG22 ' HB3' ' A' ' 107' ' ' TYR . 82.3 p -144.39 141.78 29.91 Favored 'General case' 0 N--CA 1.491 1.581 1 C-N-CA 133.386 4.674 . . . . 0.0 116.508 155.794 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.501 2.101 0 CA-C-N 122.406 2.366 . . . . 0.0 108.519 -153.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 201' ' ' LVZ . . . . . 0.491 ' HN9' ' CE1' ' A' ' 128' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 203' ' ' SGN . . . . . 0.481 ' HN ' ' HG2' ' A' ' 38' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 . . . . . 0 N--CA 1.513 2.723 0 CA-C-O 120.634 0.254 . . . . 0.0 111.648 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -58.78 156.77 31.07 Favored 'Trans proline' 0 C--N 1.377 2.037 0 CA-C-O 117.545 -1.106 . . . . 0.0 109.795 174.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -55.37 -28.86 65.36 Favored 'Trans proline' 0 CA--C 1.551 1.342 1 C-N-CA 129.84 7.027 . . . . 0.0 120.926 -175.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.336 4.5 pt20 -145.51 2.91 0.98 Allowed 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 176.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -114.23 171.96 7.3 Favored 'General case' 0 CA--C 1.589 2.446 0 O-C-N 119.811 -1.805 . . . . 0.0 111.823 171.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.0 p -91.11 158.7 16.5 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 158.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -60.76 -44.08 97.19 Favored 'General case' 0 C--N 1.367 1.343 0 O-C-N 117.421 -3.299 . . . . 0.0 112.063 -176.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.49 -38.42 53.86 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 128.249 2.619 . . . . 0.0 115.898 168.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -68.08 -50.86 52.38 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 126.216 1.807 . . . . 0.0 110.73 175.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -68.98 -34.17 74.87 Favored 'General case' 0 C--N 1.371 1.521 0 CA-C-N 114.077 -1.419 . . . . 0.0 110.801 -173.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -49.98 -55.61 13.91 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.688 1.195 . . . . 0.0 112.215 166.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.28 -44.14 80.05 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 128.94 2.896 . . . . 0.0 111.452 -177.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.2 mt -62.75 -26.97 42.07 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.434 0 CA-C-O 122.825 1.298 . . . . 0.0 112.302 176.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -82.47 -29.85 30.34 Favored 'General case' 0 N--CA 1.486 1.363 1 CA-C-O 111.311 -4.185 . . . . 0.0 116.423 170.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -144.22 -6.69 0.73 Allowed 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 118.886 2.921 . . . . 0.0 118.886 -165.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 8.6 mm -135.73 107.35 7.1 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 C-N-CA 127.145 2.178 . . . . 0.0 109.755 -171.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 m -152.87 110.89 3.63 Favored 'General case' 0 CA--C 1.566 1.576 0 C-N-CA 129.099 2.96 . . . . 0.0 109.165 -174.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.3 tp -59.93 -36.63 77.44 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 123.358 2.799 . . . . 0.0 113.999 -175.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -144.42 48.74 0.91 Allowed Pre-proline 0 CA--C 1.574 1.884 0 C-N-CA 128.456 2.702 . . . . 0.0 108.59 -157.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -72.22 158.76 51.27 Favored 'Trans proline' 0 N--CA 1.435 -1.92 0 C-N-CA 122.36 2.04 . . . . 0.0 115.269 -167.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -68.67 176.34 6.03 Favored 'Trans proline' 0 CA--C 1.574 2.478 1 C-N-CA 125.59 4.193 . . . . 0.0 109.246 170.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -56.85 155.59 7.7 Favored 'General case' 1 N--CA 1.552 4.63 0 CA-C-N 114.117 -1.401 . . . . 0.0 113.291 162.241 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 62.3 m -54.03 -32.35 54.07 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 128.062 2.545 . . . . 0.0 116.179 169.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 45.3 p -37.99 -24.28 0.01 OUTLIER 'General case' 0 CA--C 1.588 2.435 0 CA-C-N 123.574 2.897 . . . . 0.0 114.435 160.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 37.5 mm -128.92 -35.46 0.69 Allowed 'Isoleucine or valine' 0 C--O 1.252 1.207 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 -166.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.16 -33.5 75.9 Favored 'General case' 0 CA--C 1.578 2.045 0 CA-C-O 115.702 -2.094 . . . . 0.0 110.832 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 58.6 mmm -73.44 -19.37 60.98 Favored 'General case' 0 C--O 1.257 1.466 0 O-C-N 128.012 3.32 . . . . 0.0 109.047 -177.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.33 -32.1 73.43 Favored 'General case' 0 C--N 1.404 2.941 0 CA-C-N 122.377 2.353 . . . . 0.0 111.057 170.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.84 -24.62 1.04 Allowed 'General case' 0 N--CA 1.443 -0.819 1 O-C-N 115.925 -4.234 . . . . 0.0 121.412 169.319 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -121.84 -38.34 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.422 -1.853 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 173.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -76.38 -0.42 22.66 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 116.66 -3.775 . . . . 0.0 119.652 -176.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -121.74 -4.49 9.19 Favored 'General case' 0 CA--C 1.598 2.821 0 N-CA-C 116.985 2.217 . . . . 0.0 116.985 166.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -77.18 -27.43 53.63 Favored 'General case' 0 C--O 1.211 -0.968 0 O-C-N 126.83 2.582 . . . . 0.0 112.859 164.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 61.5 mtt85 -135.7 165.51 25.4 Favored 'General case' 0 C--N 1.405 2.982 0 O-C-N 118.61 -2.557 . . . . 0.0 110.597 -167.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 -54.06 -29.74 45.29 Favored 'General case' 0 CA--C 1.487 -1.466 0 N-CA-C 120.985 3.698 . . . . 0.0 120.985 -171.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -137.57 157.17 47.09 Favored 'General case' 0 N--CA 1.518 2.963 1 C-N-CA 131.988 4.115 . . . . 0.0 113.291 -177.017 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.2 m -42.96 113.01 0.42 Allowed 'General case' 0 C--N 1.363 1.178 0 N-CA-C 116.447 2.018 . . . . 0.0 116.447 157.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.427 ' CE ' ' HN ' ' A' ' 203' ' ' SGN . 20.7 tttt -53.82 129.0 32.1 Favored 'General case' 0 C--O 1.181 -2.52 0 C-N-CA 128.467 2.707 . . . . 0.0 111.173 154.057 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -79.25 -31.79 43.59 Favored 'General case' 0 N--CA 1.41 -2.474 0 CA-C-N 121.838 2.108 . . . . 0.0 112.976 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -144.51 156.69 44.29 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 104.751 -2.315 . . . . 0.0 104.751 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -162.12 147.0 12.68 Favored 'General case' 0 CA--C 1.559 1.292 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 170.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.7 m -119.42 130.32 55.22 Favored 'General case' 0 C--N 1.372 1.587 0 C-N-CA 126.471 1.909 . . . . 0.0 107.845 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -118.96 133.46 55.81 Favored 'General case' 0 CA--C 1.569 1.702 0 C-N-CA 130.438 3.495 . . . . 0.0 114.865 174.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.0 mt -110.23 142.43 41.8 Favored 'General case' 0 CA--C 1.596 2.72 0 CA-C-N 123.137 2.699 . . . . 0.0 113.022 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -98.07 68.85 2.01 Favored 'General case' 0 N--CA 1.509 2.477 0 CA-C-O 122.107 0.956 . . . . 0.0 112.558 -174.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.3 t -142.68 158.68 43.4 Favored 'General case' 0 CA--C 1.568 1.661 0 C-N-CA 126.761 2.024 . . . . 0.0 112.806 171.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . 0.292 42.5 p -71.45 147.88 47.41 Favored 'General case' 0 C--O 1.167 -3.279 0 N-CA-C 117.964 2.579 . . . . 0.0 117.964 173.361 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -54.03 -41.16 67.72 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 118.156 -0.926 . . . . 0.0 111.845 -172.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.71 -20.97 57.99 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 127.418 2.287 . . . . 0.0 116.095 -176.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -71.94 -39.88 69.13 Favored 'General case' 0 C--O 1.257 1.483 0 CA-C-O 114.996 -2.431 . . . . 0.0 108.745 166.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.36 -30.38 49.63 Favored 'Isoleucine or valine' 0 C--O 1.17 -3.107 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 164.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.6 t -60.0 -38.77 78.06 Favored 'Isoleucine or valine' 0 C--O 1.271 2.217 0 C-N-CA 117.246 -1.781 . . . . 0.0 113.01 175.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -61.95 -26.43 68.19 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-O 116.461 -1.733 . . . . 0.0 115.204 170.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.8 t -66.74 -42.1 88.95 Favored 'Isoleucine or valine' 0 C--N 1.372 1.549 0 O-C-N 125.509 1.756 . . . . 0.0 110.606 167.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 84.1 m -62.56 -34.3 76.68 Favored 'General case' 0 C--N 1.371 1.525 0 C-N-CA 116.585 -2.046 . . . . 0.0 108.903 174.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.69 -20.94 53.89 Favored Glycine 1 CA--C 1.587 4.59 0 C-N-CA 124.702 1.144 . . . . 0.0 111.333 175.085 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -74.32 167.9 20.72 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 117.606 -3.291 . . . . 0.0 111.299 -177.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -45.67 141.44 2.87 Favored 'General case' 0 N--CA 1.529 3.514 1 O-C-N 116.011 -4.181 . . . . 0.0 116.465 -174.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.2 m -84.04 130.46 34.87 Favored 'General case' 0 CA--C 1.572 1.817 0 N-CA-C 114.228 1.195 . . . . 0.0 114.228 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 35.0 pt -137.04 -165.48 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.527 3.383 0 CA-C-O 123.135 1.445 . . . . 0.0 108.369 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.7 ptt-85 -128.68 176.79 7.52 Favored 'General case' 0 C--O 1.258 1.535 0 O-C-N 117.923 -2.986 . . . . 0.0 114.405 170.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.3 m -158.35 154.06 22.9 Favored Pre-proline 0 N--CA 1.444 -0.74 0 O-C-N 118.677 -2.515 . . . . 0.0 110.868 -153.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -70.11 -24.36 28.18 Favored 'Trans proline' 0 N--CA 1.439 -1.728 0 C-N-CA 122.648 2.232 . . . . 0.0 115.398 -166.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -130.47 44.05 3.02 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 117.742 -3.099 . . . . 0.0 111.547 -174.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -126.48 5.37 6.89 Favored 'General case' 0 C--O 1.267 2.022 0 O-C-N 118.405 -2.684 . . . . 0.0 113.978 -163.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -62.69 -16.11 55.72 Favored 'General case' 0 C--N 1.38 1.904 0 CA-C-O 116.645 -1.645 . . . . 0.0 110.741 -168.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.6 p -56.56 -6.09 0.27 Allowed 'General case' 0 N--CA 1.535 3.822 0 CA-C-N 123.902 3.047 . . . . 0.0 119.153 166.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.332 1.8 pt? -161.58 -16.33 0.04 OUTLIER 'General case' 0 CA--C 1.47 -2.134 0 C-N-CA 127.387 2.275 . . . . 0.0 116.457 176.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.265 59.4 t30 55.8 33.15 20.93 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 121.382 1.901 . . . . 0.0 113.116 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -149.91 130.84 14.28 Favored 'General case' 0 CA--C 1.606 3.114 0 CA-C-O 122.365 1.079 . . . . 0.0 113.173 175.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 9.2 p -138.52 178.87 6.82 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 128.845 2.858 . . . . 0.0 106.795 168.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -139.35 160.11 40.59 Favored 'General case' 0 CA--C 1.589 2.467 1 C-N-CA 134.246 5.018 . . . . 0.0 109.73 175.002 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -135.87 144.5 45.63 Favored 'General case' 0 C--O 1.244 0.764 0 O-C-N 120.802 -1.186 . . . . 0.0 111.976 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.8 p -57.28 144.83 34.1 Favored 'General case' 0 CA--C 1.578 2.031 0 C-N-CA 127.622 2.369 . . . . 0.0 114.021 -167.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 80.2 mtt-85 -73.9 -15.82 61.13 Favored 'General case' 0 N--CA 1.51 2.57 0 C-N-CA 124.882 1.273 . . . . 0.0 114.003 -175.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -159.61 167.37 28.63 Favored 'General case' 0 CA--C 1.556 1.178 1 C-N-CA 132.189 4.196 . . . . 0.0 112.13 -175.598 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -81.15 152.99 27.5 Favored 'General case' 0 CA--C 1.487 -1.447 0 O-C-N 125.369 1.668 . . . . 0.0 109.902 177.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -121.16 153.41 58.01 Favored Pre-proline 0 CA--C 1.469 -2.16 0 CA-C-O 116.843 -1.551 . . . . 0.0 106.926 177.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -64.0 153.11 77.82 Favored 'Trans proline' 0 N--CA 1.42 -2.826 0 C-N-CA 121.369 1.379 . . . . 0.0 110.084 156.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 pp -150.47 179.51 8.09 Favored 'General case' 0 CA--C 1.571 1.782 0 C-N-CA 129.498 3.119 . . . . 0.0 116.131 175.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.2 tp -140.66 102.59 4.34 Favored 'General case' 0 C--N 1.308 -1.197 0 C-N-CA 125.913 1.685 . . . . 0.0 107.247 177.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -76.83 138.23 39.7 Favored 'General case' 0 CA--C 1.554 1.096 0 CA-C-O 125.543 2.592 . . . . 0.0 115.281 152.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 89.4 m -123.51 138.15 54.63 Favored 'General case' 0 C--O 1.277 2.517 0 CA-C-N 112.544 -2.116 . . . . 0.0 108.961 -176.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -132.3 128.06 36.94 Favored 'General case' 0 CA--C 1.575 1.924 0 C-N-CA 129.877 3.271 . . . . 0.0 114.813 -166.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.0 tp -80.28 119.48 23.08 Favored 'General case' 0 C--N 1.367 1.354 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 172.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.458 5.4 pt -64.24 -6.45 2.75 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.916 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 -164.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -144.8 106.46 4.59 Favored Pre-proline 0 CA--C 1.569 1.697 0 C-N-CA 128.142 2.577 . . . . 0.0 107.806 -178.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -42.74 -35.35 4.13 Favored 'Trans proline' 0 CA--C 1.578 2.71 0 N-CA-C 116.102 1.539 . . . . 0.0 116.102 164.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -76.0 -10.54 85.15 Favored Glycine 0 CA--C 1.563 3.048 0 N-CA-C 118.303 2.081 . . . . 0.0 118.303 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.01 144.35 40.93 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 117.813 2.523 . . . . 0.0 117.813 173.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -144.23 -32.63 0.42 Allowed 'General case' 0 N--CA 1.531 3.588 0 C-N-CA 117.159 -1.816 . . . . 0.0 110.859 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -92.09 130.21 37.87 Favored 'General case' 0 C--O 1.251 1.16 0 C-N-CA 127.668 2.387 . . . . 0.0 108.632 177.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.267 2.3 pp -56.57 -23.75 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 CA-C-O 116.08 -1.915 . . . . 0.0 114.92 171.188 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . 0.267 16.7 m -57.36 -8.71 0.83 Allowed 'General case' 0 N--CA 1.51 2.529 0 CA-C-O 117.067 -1.444 . . . . 0.0 114.529 167.379 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -134.53 -36.14 0.88 Allowed 'General case' 0 CA--C 1.578 2.04 0 N-CA-C 117.302 2.334 . . . . 0.0 117.302 -170.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 74.1 m -53.1 132.04 37.53 Favored 'General case' 0 C--N 1.289 -2.058 0 C-N-CA 130.528 3.531 . . . . 0.0 117.387 175.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -135.29 151.29 50.41 Favored 'General case' 0 N--CA 1.525 3.3 0 C-N-CA 128.7 2.8 . . . . 0.0 115.355 -178.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -142.34 148.19 37.53 Favored 'General case' 0 C--N 1.364 1.21 0 CA-C-N 122.977 2.626 . . . . 0.0 108.499 -150.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -146.8 157.57 43.7 Favored 'General case' 0 C--O 1.255 1.365 0 CA-C-O 124.335 2.017 . . . . 0.0 113.008 -177.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -91.18 138.13 31.83 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 129.925 3.29 . . . . 0.0 117.373 -172.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -142.08 72.08 22.94 Favored Pre-proline 0 N--CA 1.5 2.071 0 C-N-CA 124.76 1.224 . . . . 0.0 112.6 172.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -64.68 165.24 21.32 Favored 'Trans proline' 0 C--O 1.293 3.253 0 C-N-CA 124.511 3.474 . . . . 0.0 108.767 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -179.67 -168.26 38.22 Favored Glycine 0 C--O 1.278 2.882 0 O-C-N 118.96 -2.338 . . . . 0.0 112.342 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -153.92 129.48 9.96 Favored 'General case' 0 N--CA 1.437 -1.076 0 C-N-CA 126.346 1.859 . . . . 0.0 112.039 175.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 90.0 mtm-85 -166.43 155.21 10.84 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 130.108 3.363 . . . . 0.0 114.522 -162.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -66.86 176.01 2.22 Favored 'General case' 1 N--CA 1.541 4.088 0 CA-C-O 124.844 2.259 . . . . 0.0 111.191 161.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.443 ' HB3' HG22 ' A' ' 132' ' ' THR . 14.9 p90 -156.67 162.91 39.81 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 118.091 -2.881 . . . . 0.0 112.552 175.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.2 t -132.14 117.93 34.77 Favored 'Isoleucine or valine' 0 C--N 1.368 1.381 0 C-N-CA 130.094 3.357 . . . . 0.0 109.334 -161.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 15.6 m -133.35 152.6 35.73 Favored 'Isoleucine or valine' 0 C--O 1.275 2.441 0 C-N-CA 127.91 2.484 . . . . 0.0 113.59 -172.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -103.58 167.07 10.03 Favored 'General case' 0 N--CA 1.434 -1.257 0 C-N-CA 126.811 2.044 . . . . 0.0 109.76 168.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 91.9 m -160.97 149.34 16.08 Favored 'General case' 0 N--CA 1.506 2.344 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.541 -159.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -155.75 169.91 23.27 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 104.809 -2.293 . . . . 0.0 104.809 -158.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -56.42 139.0 50.32 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-N 110.988 -2.824 . . . . 0.0 116.254 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -42.64 138.94 1.72 Allowed 'General case' 0 N--CA 1.504 2.239 0 C-N-CA 126.414 1.886 . . . . 0.0 111.689 167.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -49.72 147.14 6.57 Favored Pre-proline 0 C--N 1.284 -2.276 0 C-N-CA 128.418 2.687 . . . . 0.0 111.376 163.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -60.13 -19.75 58.06 Favored 'Trans proline' 0 N--CA 1.444 -1.41 0 C-N-CA 122.502 2.135 . . . . 0.0 116.798 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -135.34 -34.53 0.85 Allowed 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 113.082 -3.342 . . . . 0.0 109.881 178.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -75.94 141.16 42.34 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 123.395 2.816 . . . . 0.0 115.462 -170.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.0 m 37.36 58.68 4.18 Favored Pre-proline 0 C--O 1.275 2.421 0 N-CA-C 118.029 2.604 . . . . 0.0 118.029 -178.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -51.21 -29.63 29.96 Favored 'Trans proline' 0 N--CA 1.505 2.187 1 C-N-CA 126.431 4.754 . . . . 0.0 114.926 176.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -45.73 -26.78 0.69 Allowed 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 128.237 2.615 . . . . 0.0 115.831 175.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . 0.324 22.5 m-85 -113.02 89.13 13.18 Favored Pre-proline 0 CA--C 1.591 2.535 1 C-N-CA 131.973 4.109 . . . . 0.0 120.092 -170.5 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -48.36 -34.42 25.17 Favored 'Trans proline' 0 N--CA 1.509 2.408 0 CA-C-N 121.041 1.408 . . . . 0.0 114.274 -175.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 3.6 m -127.87 149.56 32.91 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.442 0 CA-C-O 114.767 -2.539 . . . . 0.0 112.554 177.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 27.5 m -126.45 143.23 45.43 Favored Pre-proline 0 N--CA 1.485 1.319 0 CA-C-N 122.672 2.487 . . . . 0.0 115.366 174.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -73.88 129.86 13.87 Favored 'Trans proline' 0 C--O 1.267 1.939 0 C-N-CA 124.314 3.343 . . . . 0.0 110.421 175.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 15.7 m -127.75 -16.91 2.63 Favored 'Isoleucine or valine' 0 C--O 1.177 -2.761 1 C-N-CA 133.651 4.78 . . . . 0.0 116.041 -171.325 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -146.92 157.08 43.54 Favored 'General case' 0 CA--C 1.592 2.593 0 CA-C-N 120.692 1.587 . . . . 0.0 111.759 173.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . 0.267 33.1 tp -140.21 129.32 23.61 Favored 'General case' 0 CA--C 1.576 1.943 0 C-N-CA 130.183 3.393 . . . . 0.0 110.051 -177.596 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -108.88 -39.65 5.26 Favored 'General case' 0 C--N 1.283 -2.315 0 CA-C-O 115.868 -2.015 . . . . 0.0 116.023 -176.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.6 t -153.27 166.96 30.92 Favored 'General case' 0 C--N 1.394 2.512 0 CA-C-O 128.431 3.967 . . . . 0.0 115.57 -178.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.443 HG22 ' HB3' ' A' ' 107' ' ' TYR . 44.0 p -126.41 140.15 52.71 Favored 'General case' 0 C--O 1.261 1.677 0 O-C-N 117.918 -2.989 . . . . 0.0 108.97 167.156 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.25 0.2 OUTLIER . . . . . 0 CA--C 1.558 1.288 0 O-C-N 127.332 2.895 . . . . 0.0 115.642 -172.069 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 203' ' ' SGN . . . . . 0.427 ' HN ' ' CE ' ' A' ' 38' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.5 ttt85 . . . . . 0 N--CA 1.507 2.381 0 CA-C-O 116.286 -1.816 . . . . 0.0 108.956 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -47.64 144.41 10.78 Favored 'Trans proline' 0 CA--C 1.581 2.85 1 C-N-CA 126.713 4.942 . . . . 0.0 109.219 -175.359 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -41.72 -28.67 0.72 Allowed 'Trans proline' 0 C--N 1.303 -1.863 0 C-N-CA 124.101 3.201 . . . . 0.0 118.83 -170.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -158.52 15.86 0.2 Allowed 'General case' 0 CA--C 1.547 0.839 1 N-CA-C 122.151 4.13 . . . . 0.0 122.151 -166.057 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -143.26 171.67 13.79 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 122.377 1.084 . . . . 0.0 108.746 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.446 HG23 ' NE2' ' A' ' 9' ' ' GLN . 2.8 p -62.07 157.12 19.69 Favored 'General case' 1 N--CA 1.571 5.6 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 158.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -66.28 -29.53 69.77 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 123.493 2.861 . . . . 0.0 113.164 177.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.07 -30.54 55.52 Favored 'General case' 0 C--N 1.383 2.033 0 C-N-CA 126.857 2.063 . . . . 0.0 110.574 175.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.446 ' NE2' HG23 ' A' ' 6' ' ' THR . 62.2 mt-30 -68.38 -52.05 37.34 Favored 'General case' 0 N--CA 1.518 2.967 0 O-C-N 118.815 -2.428 . . . . 0.0 105.532 177.047 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 6.2 t-105 -49.65 -50.21 44.11 Favored 'General case' 0 CA--C 1.596 2.737 0 N-CA-C 116.329 1.974 . . . . 0.0 116.329 173.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -49.12 -49.17 43.27 Favored 'General case' 0 C--N 1.282 -2.328 0 CA-C-O 115.023 -2.417 . . . . 0.0 112.967 172.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.13 -60.75 2.89 Favored 'General case' 0 C--N 1.391 2.405 1 C-N-CA 131.977 4.111 . . . . 0.0 110.713 173.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.8 mt -46.72 -32.54 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.513 2.691 0 CA-C-O 123.412 1.577 . . . . 0.0 115.185 -178.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -96.76 -22.76 16.77 Favored 'General case' 0 C--O 1.258 1.519 0 CA-C-O 115.04 -2.409 . . . . 0.0 111.82 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -144.48 -23.29 0.53 Allowed 'General case' 0 C--O 1.268 2.072 0 N-CA-C 118.121 2.637 . . . . 0.0 118.121 -164.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.1 mm -105.67 117.44 51.39 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.155 1 CA-C-N 126.096 4.044 . . . . 0.0 110.442 173.427 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.4 m -142.45 94.79 2.69 Favored 'General case' 0 C--N 1.343 0.284 0 N-CA-C 105.258 -2.127 . . . . 0.0 105.258 -171.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.4 tp -55.38 -34.68 64.54 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 124.75 2.214 . . . . 0.0 111.875 -176.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -153.58 79.94 5.26 Favored Pre-proline 0 CA--C 1.591 2.521 0 O-C-N 117.686 -3.134 . . . . 0.0 112.645 -168.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -68.02 161.74 42.93 Favored 'Trans proline' 0 N--CA 1.418 -2.96 0 O-C-N 125.277 2.198 . . . . 0.0 116.66 -158.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -86.0 169.3 8.96 Favored 'Trans proline' 0 N--CA 1.432 -2.101 1 C-N-CA 125.592 4.195 . . . . 0.0 111.155 160.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -55.94 146.06 23.29 Favored 'General case' 0 CA--C 1.581 2.157 0 O-C-N 118.751 -2.468 . . . . 0.0 112.823 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 6.8 m -54.62 -33.69 60.9 Favored 'General case' 0 CA--C 1.605 3.061 0 CA-C-N 121.315 1.871 . . . . 0.0 114.105 -176.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.1 p -51.08 -17.0 0.54 Allowed 'General case' 0 N--CA 1.537 3.923 1 C-N-CA 132.248 4.219 . . . . 0.0 114.844 166.371 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.9 mm -118.12 -40.59 2.33 Favored 'Isoleucine or valine' 0 C--O 1.248 1.021 0 O-C-N 127.624 3.077 . . . . 0.0 112.02 170.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.18 -45.7 75.78 Favored 'General case' 0 N--CA 1.505 2.278 0 CA-C-O 117.236 -1.364 . . . . 0.0 113.015 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 66.7 mmm -62.24 -25.25 67.72 Favored 'General case' 0 N--CA 1.442 -0.873 0 O-C-N 126.674 2.483 . . . . 0.0 115.99 176.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -66.35 -21.81 66.25 Favored 'General case' 0 N--CA 1.491 1.616 1 O-C-N 113.919 -5.488 . . . . 0.0 112.482 -171.384 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.51 -14.14 48.01 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 117.414 2.376 . . . . 0.0 117.414 170.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . 0.304 39.5 pt -126.26 -48.72 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 CA-C-N 113.929 -1.487 . . . . 0.0 114.782 169.176 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 -77.98 1.61 20.24 Favored 'General case' 0 N--CA 1.507 2.412 0 CA-C-O 114.196 -2.811 . . . . 0.0 111.177 -168.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -129.85 8.81 5.31 Favored 'General case' 0 CA--C 1.563 1.46 0 CA-C-O 124.943 2.306 . . . . 0.0 111.47 176.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.295 81.9 t80 -136.45 20.68 3.14 Favored 'General case' 0 N--CA 1.505 2.306 0 C-N-CA 126.621 1.968 . . . . 0.0 113.447 -173.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -158.42 148.91 20.18 Favored 'General case' 0 CA--C 1.493 -1.247 1 C-N-CA 132.446 4.298 . . . . 0.0 108.413 -170.189 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . 0.3 0.6 OUTLIER -61.44 -15.41 36.99 Favored 'General case' 0 CA--C 1.557 1.249 0 N-CA-C 118.025 2.602 . . . . 0.0 118.025 -172.234 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -139.71 160.25 40.32 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 125.146 2.403 . . . . 0.0 111.349 -177.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 33.6 m -66.59 125.03 24.49 Favored 'General case' 0 N--CA 1.515 2.799 0 O-C-N 118.552 -2.592 . . . . 0.0 111.204 158.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -84.59 149.24 26.0 Favored 'General case' 0 C--N 1.366 1.288 0 O-C-N 126.441 2.338 . . . . 0.0 108.506 168.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -78.03 -68.51 0.63 Allowed 'General case' 0 C--N 1.364 1.206 1 C-N-CA 131.792 4.037 . . . . 0.0 106.54 -163.286 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -115.47 148.83 38.98 Favored 'General case' 0 N--CA 1.519 2.992 0 C-N-CA 126.143 1.777 . . . . 0.0 114.057 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -156.42 165.88 35.05 Favored 'General case' 0 C--O 1.246 0.876 0 O-C-N 117.951 -2.968 . . . . 0.0 108.346 166.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 55.1 m -134.62 144.44 47.88 Favored 'General case' 0 CA--C 1.574 1.887 1 C-N-CA 132.635 4.374 . . . . 0.0 110.27 -175.687 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -145.49 134.97 23.19 Favored 'General case' 0 CA--C 1.61 3.279 0 C-N-CA 128.454 2.701 . . . . 0.0 104.401 -177.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 76.1 mt -119.23 133.74 55.59 Favored 'General case' 0 N--CA 1.532 3.638 0 CA-C-N 113.223 -1.808 . . . . 0.0 112.189 -162.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -89.56 85.58 6.53 Favored 'General case' 0 N--CA 1.508 2.462 0 N-CA-C 116.818 2.155 . . . . 0.0 116.818 -172.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.9 t -160.8 172.13 17.57 Favored 'General case' 0 N--CA 1.513 2.678 0 N-CA-C 104.837 -2.283 . . . . 0.0 104.837 -165.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.2 p -108.13 171.4 7.43 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 118.477 -2.639 . . . . 0.0 113.47 175.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -74.5 -39.07 62.66 Favored 'General case' 0 C--O 1.187 -2.23 0 CA-C-N 120.493 1.497 . . . . 0.0 109.79 -173.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.75 -7.85 1.13 Allowed 'General case' 0 C--N 1.357 0.933 0 N-CA-C 117.708 2.484 . . . . 0.0 117.708 169.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -95.69 -51.1 4.65 Favored 'General case' 0 C--O 1.201 -1.466 0 C-N-CA 128.549 2.739 . . . . 0.0 110.586 177.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . 0.38 1.4 t -58.66 -25.74 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.063 0 CA-C-O 124.075 1.893 . . . . 0.0 112.064 171.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 50.6 t -69.72 -47.97 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 O-C-N 117.672 -3.143 . . . . 0.0 112.517 175.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -63.12 -11.8 22.84 Favored 'General case' 0 CA--C 1.491 -1.311 0 CA-C-O 116.103 -1.903 . . . . 0.0 108.865 174.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 t -86.01 -29.88 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-N 121.848 2.113 . . . . 0.0 113.83 169.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 88.7 m -68.11 -29.53 68.48 Favored 'General case' 0 C--N 1.371 1.503 0 C-N-CA 114.882 -2.727 . . . . 0.0 109.93 164.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -76.71 -5.2 83.19 Favored Glycine 0 C--N 1.359 1.858 0 C-N-CA 128.472 2.939 . . . . 0.0 114.148 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -76.85 172.51 13.01 Favored 'General case' 0 N--CA 1.421 -1.879 0 C-N-CA 130.536 3.534 . . . . 0.0 114.546 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -55.5 146.15 20.97 Favored 'General case' 0 CA--C 1.566 1.563 0 CA-C-N 120.413 1.46 . . . . 0.0 111.15 175.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.8 m -92.09 126.4 37.15 Favored 'General case' 0 N--CA 1.517 2.901 0 O-C-N 126.578 2.424 . . . . 0.0 110.49 -174.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.429 HG13 ' SG ' ' A' ' 71' ' ' CYS . 29.7 pt -117.97 -174.26 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.252 1.186 0 CA-C-N 119.554 1.07 . . . . 0.0 110.976 169.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 -122.98 146.55 47.52 Favored 'General case' 0 N--CA 1.509 2.509 0 C-N-CA 127.83 2.452 . . . . 0.0 111.173 166.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.492 ' HB3' ' HD2' ' A' ' 63' ' ' PRO . 72.4 m -129.72 177.98 1.92 Allowed Pre-proline 0 CA--C 1.567 1.616 0 CA-C-N 110.382 -3.099 . . . . 0.0 110.012 -169.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.492 ' HD2' ' HB3' ' A' ' 62' ' ' CYS 0.269 54.0 Cg_endo -85.25 -7.87 8.91 Favored 'Trans proline' 0 CA--C 1.488 -1.814 0 C-N-CA 123.657 2.905 . . . . 0.0 116.934 -164.391 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . 0.339 2.2 m80 -140.21 31.38 1.95 Allowed 'General case' 0 CA--C 1.496 -1.108 0 C-N-CA 129.587 3.155 . . . . 0.0 113.032 -171.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -127.47 1.49 6.26 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 126.495 2.372 . . . . 0.0 112.26 -158.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -59.98 -32.33 70.74 Favored 'General case' 0 N--CA 1.519 3.011 0 CA-C-O 126.521 3.058 . . . . 0.0 114.46 -177.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . 0.374 63.8 p -56.0 -11.38 1.05 Allowed 'General case' 0 N--CA 1.514 2.738 0 O-C-N 118.047 -2.908 . . . . 0.0 113.023 169.386 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -148.33 -5.75 0.43 Allowed 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 122.527 2.421 . . . . 0.0 116.629 168.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.2 t30 55.62 28.05 11.41 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 116.899 2.185 . . . . 0.0 116.899 -176.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -153.06 115.74 4.5 Favored 'General case' 0 CA--C 1.591 2.549 0 O-C-N 117.458 -3.276 . . . . 0.0 105.568 -165.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.429 ' SG ' HG13 ' A' ' 60' ' ' ILE . 6.8 p -137.91 169.93 16.93 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 110.808 -2.905 . . . . 0.0 112.913 169.259 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -139.58 156.19 47.02 Favored 'General case' 0 C--N 1.373 1.592 0 O-C-N 120.848 -1.157 . . . . 0.0 108.195 -176.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -118.61 172.1 7.73 Favored 'General case' 0 C--O 1.272 2.237 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 172.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 85.2 p -65.21 162.17 17.76 Favored 'General case' 0 C--O 1.244 0.811 0 C-N-CA 128.839 2.856 . . . . 0.0 111.288 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -97.93 -9.13 26.75 Favored 'General case' 0 C--O 1.169 -3.162 0 C-N-CA 126.881 2.072 . . . . 0.0 107.74 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -163.87 176.49 9.42 Favored 'General case' 0 N--CA 1.439 -0.995 0 O-C-N 116.571 -3.831 . . . . 0.0 111.201 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 -82.76 163.18 21.43 Favored 'General case' 0 C--N 1.389 2.302 0 CA-C-O 121.482 0.658 . . . . 0.0 109.366 166.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.4 m -141.42 151.86 62.17 Favored Pre-proline 0 C--O 1.197 -1.702 0 C-N-CA 126.324 1.849 . . . . 0.0 109.946 168.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.407 ' HA ' ' O ' ' A' ' 103' ' ' GLY . 48.5 Cg_endo -64.98 155.08 70.15 Favored 'Trans proline' 0 CA--C 1.56 1.785 0 C-N-CA 121.714 1.609 . . . . 0.0 112.457 160.099 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.6 pp -155.41 177.47 11.32 Favored 'General case' 0 N--CA 1.421 -1.896 0 O-C-N 118.576 -2.578 . . . . 0.0 114.24 -172.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.2 tp -128.77 109.82 11.63 Favored 'General case' 0 CA--C 1.59 2.491 0 CA-C-N 120.603 1.547 . . . . 0.0 108.215 176.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -84.02 161.05 20.86 Favored 'General case' 0 N--CA 1.424 -1.727 0 CA-C-O 116.464 -1.732 . . . . 0.0 112.687 161.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 68.7 m -153.16 149.55 28.14 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 126.502 2.377 . . . . 0.0 115.467 -174.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -150.52 109.57 3.91 Favored 'General case' 0 C--O 1.257 1.452 0 O-C-N 126.145 2.153 . . . . 0.0 112.25 -145.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.1 tp -68.8 96.15 0.73 Allowed 'General case' 0 C--O 1.199 -1.593 0 O-C-N 126.176 2.172 . . . . 0.0 111.138 169.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.306 0.8 OUTLIER -57.25 -9.4 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.531 3.586 0 N-CA-C 117.126 2.269 . . . . 0.0 117.126 -174.273 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -138.75 86.13 16.08 Favored Pre-proline 0 CA--C 1.563 1.475 0 O-C-N 116.442 -3.911 . . . . 0.0 110.105 169.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -48.66 -25.78 8.46 Favored 'Trans proline' 0 CA--C 1.58 2.797 1 C-N-CA 126.849 5.032 . . . . 0.0 116.001 -168.322 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -70.17 -19.81 76.02 Favored Glycine 0 C--N 1.356 1.665 0 C-N-CA 127.036 2.255 . . . . 0.0 113.336 178.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.3 147.09 46.71 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 119.414 -2.227 . . . . 0.0 115.774 168.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -148.83 -17.66 0.31 Allowed 'General case' 0 C--N 1.384 2.086 0 C-N-CA 128.191 2.596 . . . . 0.0 114.62 -170.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -103.27 141.84 35.22 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 104.853 -2.277 . . . . 0.0 104.853 176.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 19.8 pt -65.02 -5.39 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.604 3.048 0 N-CA-C 117.365 2.357 . . . . 0.0 117.365 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.0 m -83.83 0.85 45.81 Favored 'General case' 0 C--O 1.265 1.905 0 CA-C-O 123.539 1.638 . . . . 0.0 110.163 176.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -152.45 -9.67 0.19 Allowed 'General case' 0 N--CA 1.516 2.854 0 O-C-N 119.436 -2.04 . . . . 0.0 113.861 -170.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 3.4 m -71.88 149.7 44.93 Favored 'General case' 0 N--CA 1.498 1.956 0 CA-C-N 120.117 1.326 . . . . 0.0 109.184 162.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -164.32 145.94 8.56 Favored 'General case' 0 CA--C 1.563 1.459 0 C-N-CA 130.227 3.411 . . . . 0.0 110.066 -169.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -136.72 169.48 17.66 Favored 'General case' 0 C--N 1.315 -0.919 0 O-C-N 128.673 3.733 . . . . 0.0 114.423 -165.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.57 134.06 6.82 Favored 'General case' 0 CA--C 1.486 -1.498 0 CA-C-N 113.614 -1.63 . . . . 0.0 111.878 -169.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -77.68 128.39 34.01 Favored 'General case' 0 C--N 1.271 -2.805 0 O-C-N 116.552 -3.842 . . . . 0.0 111.599 -164.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . 0.331 2.7 mpt_? -119.87 67.71 11.63 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 124.275 0.985 . . . . 0.0 110.45 174.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -54.96 139.91 79.37 Favored 'Trans proline' 0 N--CA 1.514 2.68 0 O-C-N 116.507 -2.417 . . . . 0.0 113.667 173.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 79' ' ' PRO . . . -141.62 -168.96 11.76 Favored Glycine 0 CA--C 1.57 3.525 0 N-CA-C 115.202 0.841 . . . . 0.0 115.202 173.306 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 45.7 ttt180 -148.53 113.11 5.34 Favored 'General case' 0 CA--C 1.499 -1.012 0 C-N-CA 130.639 3.576 . . . . 0.0 109.661 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 90.7 mtm-85 -158.55 166.36 32.3 Favored 'General case' 0 C--O 1.267 1.977 0 O-C-N 124.703 1.252 . . . . 0.0 107.666 -172.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -81.46 167.78 19.01 Favored 'General case' 0 C--O 1.163 -3.498 0 CA-C-O 116.734 -1.603 . . . . 0.0 110.837 163.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -137.31 159.0 43.19 Favored 'General case' 0 CA--C 1.567 1.634 0 C-N-CA 128.761 2.824 . . . . 0.0 114.672 -176.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 42.0 t -141.76 119.42 8.29 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.375 0 O-C-N 128.271 3.482 . . . . 0.0 109.591 -170.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.0 m -148.32 -178.37 0.56 Allowed 'Isoleucine or valine' 0 C--O 1.171 -3.036 0 O-C-N 117.136 -3.477 . . . . 0.0 109.576 -154.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -155.1 153.71 31.28 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 127.906 2.482 . . . . 0.0 113.4 -172.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 99.1 m -133.48 165.56 24.6 Favored 'General case' 0 N--CA 1.405 -2.722 0 C-N-CA 126.21 1.804 . . . . 0.0 113.491 -157.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -146.25 168.51 20.88 Favored 'General case' 0 C--O 1.281 2.731 0 C-N-CA 127.787 2.435 . . . . 0.0 113.077 175.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -66.55 159.1 28.11 Favored 'General case' 0 C--O 1.208 -1.088 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -48.25 153.21 0.74 Allowed 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 126.558 3.075 . . . . 0.0 116.114 172.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.461 ' HA ' ' HD3' ' A' ' 116' ' ' PRO . 12.8 t70 -72.43 142.66 84.47 Favored Pre-proline 0 CA--C 1.554 1.109 0 CA-C-N 113.257 -1.792 . . . . 0.0 112.945 170.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 115' ' ' ASP . 70.1 Cg_exo -61.44 -9.57 13.59 Favored 'Trans proline' 0 N--CA 1.506 2.221 1 C-N-CA 125.37 4.047 . . . . 0.0 115.144 -175.319 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -143.32 -26.96 0.57 Allowed 'General case' 0 C--N 1.399 2.742 0 C-N-CA 126.993 2.117 . . . . 0.0 114.438 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -103.25 146.84 27.83 Favored 'General case' 0 N--CA 1.525 3.314 0 CA-C-N 120.389 1.45 . . . . 0.0 111.501 -163.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.8 m 50.62 57.88 17.29 Favored Pre-proline 0 CA--C 1.549 0.918 0 N-CA-C 119.023 2.971 . . . . 0.0 119.023 -178.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -53.51 -17.54 9.65 Favored 'Trans proline' 0 C--N 1.29 -2.521 0 C-N-CA 124.224 3.283 . . . . 0.0 118.191 176.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -47.25 -23.91 0.63 Allowed 'General case' 0 N--CA 1.423 -1.803 0 C-N-CA 124.896 1.278 . . . . 0.0 113.343 171.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . 0.312 62.7 m-85 -138.9 139.53 24.07 Favored Pre-proline 0 CA--C 1.572 1.798 0 CA-C-N 121.405 1.911 . . . . 0.0 112.18 -159.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -80.26 -28.37 3.05 Favored 'Trans proline' 0 CA--C 1.565 2.034 0 C-N-CA 124.273 3.315 . . . . 0.0 113.273 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.6 m -132.19 159.17 43.29 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.075 0 C-N-CA 126.917 2.087 . . . . 0.0 108.657 -174.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 28.2 m -143.26 142.73 22.13 Favored Pre-proline 0 CA--C 1.564 1.513 0 O-C-N 126.364 2.29 . . . . 0.0 105.884 -173.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -73.19 145.85 39.77 Favored 'Trans proline' 0 CA--C 1.574 2.49 0 CA-C-N 122.33 1.868 . . . . 0.0 113.42 165.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.3 m -139.58 -20.16 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.511 2.59 0 O-C-N 119.934 -1.729 . . . . 0.0 111.884 -170.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.577 ' CD2' ' H ' ' A' ' 129' ' ' LEU . 4.0 t60 -148.81 169.91 19.41 Favored 'General case' 0 C--O 1.181 -2.537 1 O-C-N 115.38 -4.575 . . . . 0.0 110.865 179.668 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.577 ' H ' ' CD2' ' A' ' 128' ' ' HIS . 14.3 tp -145.77 124.62 12.67 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 115.393 -2.242 . . . . 0.0 110.919 -174.292 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -101.94 -35.02 9.14 Favored 'General case' 0 C--N 1.409 3.171 0 CA-C-N 121.742 2.065 . . . . 0.0 111.678 -171.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 12.2 t -167.24 168.34 13.45 Favored 'General case' 0 C--O 1.256 1.397 0 N-CA-C 115.762 1.764 . . . . 0.0 115.762 -171.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 51.5 p -141.44 152.72 44.5 Favored 'General case' 0 N--CA 1.512 2.655 0 C-N-CA 126.652 1.981 . . . . 0.0 110.917 159.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.355 0.814 0 C-N-CA 128.792 2.837 . . . . 0.0 108.36 -163.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 203' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 12.4 ttt85 . . . . . 0 CA--C 1.54 0.593 0 N-CA-C 117.478 2.399 . . . . 0.0 117.478 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -52.59 149.98 22.79 Favored 'Trans proline' 0 C--N 1.381 2.283 0 C-N-CA 124.137 3.225 . . . . 0.0 108.957 164.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -63.9 -18.36 63.55 Favored 'Trans proline' 0 CA--C 1.572 2.389 1 C-N-CA 127.368 5.379 . . . . 0.0 114.283 -171.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.308 10.9 pt20 -143.38 9.71 1.64 Allowed 'General case' 0 C--O 1.257 1.452 0 C-N-CA 126.272 1.829 . . . . 0.0 114.966 -168.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -144.77 168.19 20.8 Favored 'General case' 0 N--CA 1.52 3.072 0 C-N-CA 127.777 2.431 . . . . 0.0 113.162 -171.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.62 164.76 18.43 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 120.247 1.385 . . . . 0.0 112.297 150.603 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.262 7.2 tpt180 -55.23 -51.91 65.08 Favored 'General case' 0 N--CA 1.535 3.787 0 O-C-N 119.747 -1.845 . . . . 0.0 108.388 165.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.29 -26.58 47.11 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 115.698 -2.401 . . . . 0.0 111.809 -166.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -57.43 -46.08 83.95 Favored 'General case' 0 N--CA 1.515 2.791 0 C-N-CA 124.389 1.076 . . . . 0.0 108.745 167.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 38.0 t-105 -74.72 -32.31 62.11 Favored 'General case' 0 C--O 1.205 -1.255 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -171.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -53.12 -48.79 67.59 Favored 'General case' 0 C--N 1.372 1.554 0 N-CA-C 120.067 3.358 . . . . 0.0 120.067 161.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.92 -36.07 75.06 Favored 'General case' 0 N--CA 1.504 2.227 0 CA-C-O 124.153 1.93 . . . . 0.0 113.817 -175.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.4 mt -53.8 -30.54 19.23 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.726 0 N-CA-C 117.351 2.352 . . . . 0.0 117.351 163.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -102.91 -18.55 15.0 Favored 'General case' 0 CA--C 1.592 2.574 0 CA-C-O 114.31 -2.757 . . . . 0.0 107.583 -175.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -145.27 6.12 1.12 Allowed 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 114.135 -2.84 . . . . 0.0 114.691 -167.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.3 mm -143.89 115.66 2.64 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.974 1 CA-C-N 126.843 4.383 . . . . 0.0 110.04 -175.343 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . 0.277 4.4 t -154.08 108.07 2.99 Favored 'General case' 0 C--O 1.259 1.604 0 N-CA-C 116.031 1.863 . . . . 0.0 116.031 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.6 tp -61.21 -60.08 4.32 Favored 'General case' 0 C--N 1.4 2.762 1 O-C-N 131.353 5.408 . . . . 0.0 113.009 -174.517 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -117.86 81.25 15.28 Favored Pre-proline 0 N--CA 1.522 3.15 0 CA-C-O 123.569 1.652 . . . . 0.0 107.137 173.027 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -79.6 155.41 24.29 Favored 'Trans proline' 0 CA--C 1.552 1.392 1 C-N-CA 130.437 7.425 . . . . 0.0 110.129 -164.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -85.53 174.17 6.99 Favored 'Trans proline' 0 C--O 1.256 1.411 1 C-N-CA 125.329 4.019 . . . . 0.0 112.433 169.114 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.0 mmt-85 -58.15 153.22 15.34 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 121.84 0.829 . . . . 0.0 112.16 178.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.1 m -64.53 -19.95 65.92 Favored 'General case' 0 CA--C 1.487 -1.454 0 CA-C-N 114.441 -1.254 . . . . 0.0 113.971 -172.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.7 p -58.5 -38.83 78.47 Favored 'General case' 0 C--N 1.31 -1.13 0 C-N-CA 125.252 1.421 . . . . 0.0 113.373 164.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.4 mm -88.25 -34.01 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 124.493 1.117 . . . . 0.0 109.297 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.65 -49.21 74.1 Favored 'General case' 0 C--N 1.378 1.826 0 O-C-N 118.733 -2.479 . . . . 0.0 107.113 -174.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 87.7 mmm -70.02 -21.93 63.16 Favored 'General case' 0 C--O 1.29 3.233 0 C-N-CA 125.892 1.677 . . . . 0.0 109.694 -165.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -57.24 -32.68 66.79 Favored 'General case' 0 N--CA 1.524 3.253 0 CA-C-O 112.516 -3.611 . . . . 0.0 112.983 170.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.22 -31.69 0.14 Allowed 'General case' 0 CA--C 1.491 -1.289 0 CA-C-N 123.725 2.966 . . . . 0.0 117.812 168.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.5 pt -121.73 -49.03 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.611 3.3 0 O-C-N 124.459 1.099 . . . . 0.0 110.04 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -71.47 -17.75 62.34 Favored 'General case' 0 C--N 1.389 2.306 0 O-C-N 119.315 -2.116 . . . . 0.0 114.829 -172.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.289 2.0 m-20 -97.41 19.33 13.46 Favored 'General case' 0 C--N 1.277 -2.57 0 O-C-N 124.695 1.247 . . . . 0.0 111.847 167.126 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -142.37 -5.21 0.97 Allowed 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 124.316 1.047 . . . . 0.0 113.279 -172.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -136.11 160.31 39.04 Favored 'General case' 0 CA--C 1.573 1.864 0 O-C-N 117.223 -3.423 . . . . 0.0 112.671 -177.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -60.61 -24.32 65.41 Favored 'General case' 0 C--O 1.174 -2.88 0 N-CA-C 120.122 3.378 . . . . 0.0 120.122 -170.014 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -143.88 159.34 42.71 Favored 'General case' 0 CA--C 1.603 3.005 0 O-C-N 127.135 2.772 . . . . 0.0 111.75 172.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.1 m -60.48 104.56 0.34 Allowed 'General case' 0 CA--C 1.583 2.24 0 O-C-N 128.947 3.905 . . . . 0.0 114.809 169.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.636 ' HE2' ' HN ' ' A' ' 203' ' ' SGN . 5.5 tttm -52.49 126.0 18.05 Favored 'General case' 0 C--N 1.289 -2.028 0 CA-C-O 117.226 -1.369 . . . . 0.0 110.287 156.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -52.28 -49.39 64.23 Favored 'General case' 0 C--O 1.266 1.933 0 C-N-CA 128.895 2.878 . . . . 0.0 115.281 -178.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -149.11 158.29 44.07 Favored 'General case' 0 CA--C 1.587 2.404 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 -163.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -157.14 148.86 22.39 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 127.115 2.166 . . . . 0.0 113.879 173.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 46.6 m -113.07 146.54 38.97 Favored 'General case' 0 C--N 1.29 -2.018 0 C-N-CA 126.832 2.053 . . . . 0.0 114.102 170.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -138.47 138.4 38.07 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 127.265 2.853 . . . . 0.0 111.113 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.0 mt -113.77 132.26 55.91 Favored 'General case' 0 N--CA 1.436 -1.134 0 O-C-N 120.035 -1.666 . . . . 0.0 109.053 -168.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -90.17 60.56 4.84 Favored 'General case' 0 N--CA 1.518 2.951 0 C-N-CA 124.832 1.253 . . . . 0.0 113.128 -177.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.3 t -139.94 -157.5 0.77 Allowed 'General case' 0 N--CA 1.502 2.14 0 C-N-CA 125.544 1.538 . . . . 0.0 109.615 -162.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.0 p -135.52 150.45 49.76 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 120.784 1.629 . . . . 0.0 111.543 175.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -49.17 -45.91 44.68 Favored 'General case' 0 CA--C 1.576 1.964 0 CA-C-N 113.222 -1.808 . . . . 0.0 112.16 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.28 -45.53 34.78 Favored 'General case' 0 N--CA 1.508 2.458 0 N-CA-C 117.862 2.541 . . . . 0.0 117.862 176.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -62.71 -47.83 81.9 Favored 'General case' 0 N--CA 1.423 -1.794 0 C-N-CA 125.219 1.408 . . . . 0.0 112.9 171.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.1 t -57.1 -34.68 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 CA-C-O 117.554 -1.213 . . . . 0.0 113.875 174.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.7 t -76.31 -34.34 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.764 0 CA-C-N 123.3 2.773 . . . . 0.0 107.307 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -65.95 -30.92 71.57 Favored 'General case' 0 C--O 1.259 1.555 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 177.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 70.0 t -72.65 -36.14 52.46 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.353 0 C-N-CA 128.17 2.588 . . . . 0.0 110.722 170.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.4 m -47.06 -26.12 0.99 Allowed 'General case' 0 N--CA 1.496 1.866 2 O-C-N 113.578 -5.701 . . . . 0.0 113.595 158.424 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -99.08 10.48 61.89 Favored Glycine 1 CA--C 1.592 4.87 0 O-C-N 123.751 0.657 . . . . 0.0 112.483 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -90.06 170.71 10.11 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 124.222 1.963 . . . . 0.0 115.486 167.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . 0.283 16.1 mt-30 -31.09 124.36 0.21 Allowed 'General case' 0 C--N 1.302 -1.495 0 O-C-N 119.38 -2.075 . . . . 0.0 112.963 177.271 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.2 m -92.09 120.46 32.72 Favored 'General case' 0 N--CA 1.506 2.342 0 CA-C-O 112.724 -3.512 . . . . 0.0 111.727 -174.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.8 pt -134.24 166.46 28.7 Favored 'Isoleucine or valine' 0 C--O 1.281 2.755 0 CA-C-N 122.003 2.183 . . . . 0.0 109.822 -168.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.6 ptt85 -87.26 160.68 18.35 Favored 'General case' 0 CA--C 1.586 2.361 0 CA-C-N 121.552 1.978 . . . . 0.0 112.895 162.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.7 m -132.77 150.73 76.54 Favored Pre-proline 0 C--O 1.253 1.266 0 O-C-N 125.212 1.57 . . . . 0.0 113.268 174.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -47.06 -20.69 1.31 Allowed 'Trans proline' 0 CA--C 1.555 1.549 1 C-N-CA 125.983 4.456 . . . . 0.0 117.195 -176.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -133.57 68.1 1.5 Allowed 'General case' 1 N--CA 1.551 4.592 0 CA-C-N 121.58 1.991 . . . . 0.0 110.777 172.853 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -146.1 -7.0 0.56 Allowed 'General case' 0 C--O 1.28 2.676 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 -160.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -60.22 -3.18 0.56 Allowed 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 120.228 3.418 . . . . 0.0 120.228 -169.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.0 p -63.84 -46.03 86.89 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-N 121.541 1.973 . . . . 0.0 112.095 167.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.3 1.7 pt? -122.75 -9.01 8.4 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 118.455 2.761 . . . . 0.0 118.455 -173.501 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.9 t30 48.65 33.14 3.95 Favored 'General case' 0 CA--C 1.613 3.378 0 C-N-CA 128.876 2.87 . . . . 0.0 112.917 171.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -146.81 111.08 5.12 Favored 'General case' 0 C--O 1.267 2.001 0 CA-C-N 111.763 -2.471 . . . . 0.0 106.677 -171.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.4 p -134.94 172.34 13.13 Favored 'General case' 0 C--O 1.18 -2.564 0 CA-C-N 112.248 -2.251 . . . . 0.0 109.303 171.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -146.57 152.59 39.18 Favored 'General case' 0 CA--C 1.568 1.665 0 C-N-CA 128.718 2.807 . . . . 0.0 110.29 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 46.8 ptt85 -122.83 154.95 37.57 Favored 'General case' 0 C--N 1.378 1.845 0 O-C-N 126.118 2.136 . . . . 0.0 114.755 169.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.1 p -72.81 129.92 39.29 Favored 'General case' 0 C--N 1.366 1.315 0 O-C-N 118.162 -2.836 . . . . 0.0 111.73 -166.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.427 ' HG3' ' H ' ' A' ' 75' ' ' ARG . 36.1 mtt-85 -47.61 -20.11 0.24 Allowed 'General case' 0 N--CA 1.509 2.486 0 N-CA-C 117.498 2.407 . . . . 0.0 117.498 173.593 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -158.84 150.91 21.2 Favored 'General case' 0 C--N 1.383 2.028 0 O-C-N 126.528 2.393 . . . . 0.0 105.116 -171.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -60.26 158.99 10.56 Favored 'General case' 0 C--N 1.382 2.019 0 CA-C-N 113.341 -1.754 . . . . 0.0 111.878 171.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.8 m -140.34 156.27 69.81 Favored Pre-proline 0 N--CA 1.436 -1.165 0 C-N-CA 129.524 3.13 . . . . 0.0 108.233 175.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -73.01 155.1 52.96 Favored 'Trans proline' 0 C--O 1.277 2.444 0 C-N-CA 117.15 -1.433 . . . . 0.0 112.125 172.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' A' ' 105' ' ' ARG . 1.8 pp -156.49 174.09 15.94 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-O 117.834 -1.079 . . . . 0.0 109.161 -176.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . 0.25 58.9 tp -143.25 138.14 29.4 Favored 'General case' 0 CA--C 1.482 -1.657 1 C-N-CA 131.711 4.005 . . . . 0.0 110.427 -178.83 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -127.57 141.64 51.59 Favored 'General case' 0 N--CA 1.418 -2.057 0 C-N-CA 127.169 2.187 . . . . 0.0 114.042 176.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 76.5 m -119.03 155.13 31.97 Favored 'General case' 0 C--O 1.201 -1.479 0 CA-C-O 126.452 3.025 . . . . 0.0 112.237 -175.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -148.22 116.62 6.56 Favored 'General case' 0 C--N 1.297 -1.676 1 O-C-N 115.668 -4.395 . . . . 0.0 114.158 -166.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 27.1 tp -63.39 86.88 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 128.06 2.544 . . . . 0.0 111.276 176.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.6 pt -48.78 -22.8 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.577 2.001 0 O-C-N 117.351 -3.343 . . . . 0.0 116.68 -169.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -137.55 109.44 8.7 Favored Pre-proline 0 C--O 1.169 -3.134 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 157.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -60.22 -2.64 1.9 Allowed 'Trans proline' 0 CA--C 1.582 2.886 0 C-N-CA 124.683 3.589 . . . . 0.0 116.279 168.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.31 -19.64 66.6 Favored Glycine 0 CA--C 1.558 2.776 0 N-CA-C 117.386 1.714 . . . . 0.0 117.386 167.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -81.93 153.35 26.34 Favored 'General case' 0 CA--C 1.591 2.53 0 N-CA-C 120.441 3.497 . . . . 0.0 120.441 163.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -138.11 -3.37 1.78 Allowed 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 124.46 1.104 . . . . 0.0 113.335 -176.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -138.87 148.89 44.24 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.289 1.836 . . . . 0.0 112.458 -173.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.5 pt -74.61 -3.93 5.17 Favored 'Isoleucine or valine' 0 CA--C 1.616 3.503 0 CA-C-N 111.566 -2.561 . . . . 0.0 113.89 -171.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . 0.265 1.7 m -75.76 -12.9 60.27 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 120.646 1.566 . . . . 0.0 113.372 159.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -137.52 -8.03 1.7 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 116.655 -3.778 . . . . 0.0 119.897 175.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 99.2 m -65.93 145.05 56.37 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.366 -0.834 . . . . 0.0 108.756 174.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -149.38 152.47 35.82 Favored 'General case' 0 N--CA 1.518 2.94 0 C-N-CA 126.662 1.985 . . . . 0.0 111.016 -177.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -147.05 153.58 40.16 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 118.721 -2.487 . . . . 0.0 113.242 -172.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.59 164.99 25.43 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 122.147 0.975 . . . . 0.0 109.941 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -107.47 124.91 50.58 Favored 'General case' 0 CA--C 1.493 -1.229 0 C-N-CA 127.79 2.436 . . . . 0.0 113.596 -156.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.73 82.03 64.47 Favored Pre-proline 0 CA--C 1.556 1.181 0 O-C-N 118.541 -2.599 . . . . 0.0 107.577 -176.29 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -45.94 169.63 0.04 OUTLIER 'Trans proline' 0 C--N 1.408 3.71 0 CA-C-O 126.041 2.434 . . . . 0.0 113.946 164.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 174.92 177.31 43.93 Favored Glycine 0 CA--C 1.467 -2.964 0 CA-C-N 110.42 -3.082 . . . . 0.0 107.63 173.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -159.29 103.03 1.61 Allowed 'General case' 0 C--O 1.263 1.804 0 C-N-CA 130.127 3.371 . . . . 0.0 111.535 -173.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.422 ' HB2' HD21 ' A' ' 80' ' ' LEU . 43.4 mtm-85 -150.02 172.14 15.72 Favored 'General case' 0 CA--C 1.571 1.776 0 C-N-CA 129.619 3.168 . . . . 0.0 112.356 -161.356 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -71.78 175.94 5.32 Favored 'General case' 0 CA--C 1.593 2.603 0 CA-C-N 122.344 2.338 . . . . 0.0 108.853 159.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -135.05 158.02 45.42 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 112.887 -1.96 . . . . 0.0 111.886 168.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.0 t -129.65 113.24 26.68 Favored 'Isoleucine or valine' 0 C--O 1.253 1.254 0 CA-C-N 118.603 0.638 . . . . 0.0 111.031 -174.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 16.8 m -134.02 164.4 34.62 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 O-C-N 120.283 -1.511 . . . . 0.0 114.988 -160.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -112.33 151.94 29.14 Favored 'General case' 0 C--O 1.246 0.898 0 C-N-CA 125.237 1.415 . . . . 0.0 112.32 173.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 63.5 m -137.23 157.68 46.12 Favored 'General case' 0 N--CA 1.512 2.655 0 C-N-CA 128.323 2.649 . . . . 0.0 110.425 -172.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -152.4 171.59 17.8 Favored 'General case' 0 CA--C 1.59 2.481 0 C-N-CA 128.144 2.578 . . . . 0.0 108.816 -165.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -61.65 145.75 51.25 Favored 'General case' 0 N--CA 1.405 -2.687 0 O-C-N 128.236 3.46 . . . . 0.0 108.136 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -57.28 145.38 32.17 Favored 'General case' 0 N--CA 1.532 3.629 0 C-N-CA 128.621 2.768 . . . . 0.0 112.511 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.56 148.85 85.68 Favored Pre-proline 0 C--N 1.359 1.001 0 CA-C-O 124.144 1.926 . . . . 0.0 109.841 166.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -51.8 -25.26 20.53 Favored 'Trans proline' 0 C--N 1.403 3.426 0 C-N-CA 124.945 3.763 . . . . 0.0 115.533 172.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 53.3 mtt85 -147.81 -27.8 0.35 Allowed 'General case' 0 C--O 1.204 -1.313 0 CA-C-O 114.812 -2.518 . . . . 0.0 109.828 -164.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -83.01 144.8 29.71 Favored 'General case' 0 CA--C 1.564 1.485 0 CA-C-N 123.531 2.878 . . . . 0.0 117.481 173.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 42.6 m 48.91 57.89 18.13 Favored Pre-proline 0 C--N 1.306 -1.309 0 C-N-CA 131.441 3.897 . . . . 0.0 114.91 169.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -53.59 -11.52 2.2 Favored 'Trans proline' 0 C--N 1.394 2.945 0 N-CA-C 118.369 2.411 . . . . 0.0 118.369 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -53.69 -21.68 7.5 Favored 'General case' 0 C--O 1.256 1.432 0 O-C-N 117.573 -3.205 . . . . 0.0 110.991 176.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -127.66 133.36 25.01 Favored Pre-proline 1 N--CA 1.543 4.177 0 C-N-CA 125.933 1.693 . . . . 0.0 114.558 -166.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -69.45 -33.67 17.26 Favored 'Trans proline' 0 C--N 1.373 1.84 0 C-N-CA 124.056 3.171 . . . . 0.0 115.294 173.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 31.6 m -147.17 152.4 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 C-N-CA 128.032 2.533 . . . . 0.0 104.236 -170.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 18.8 m -132.69 138.38 31.87 Favored Pre-proline 0 CA--C 1.586 2.337 0 C-N-CA 128.157 2.583 . . . . 0.0 109.729 -171.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -60.71 148.73 90.75 Favored 'Trans proline' 0 C--O 1.257 1.451 1 C-N-CA 127.897 5.731 . . . . 0.0 106.483 166.275 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 34.3 m -148.42 -4.59 0.1 Allowed 'Isoleucine or valine' 1 N--CA 1.546 4.336 0 CA-C-O 115.927 -1.987 . . . . 0.0 113.213 -173.297 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -163.02 157.97 21.55 Favored 'General case' 0 C--O 1.283 2.833 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 52.1 tp -129.09 147.42 50.95 Favored 'General case' 0 N--CA 1.518 2.944 0 N-CA-C 105.214 -2.143 . . . . 0.0 105.214 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -123.35 -47.58 1.99 Allowed 'General case' 0 CA--C 1.594 2.655 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . 0.296 13.9 t -149.76 172.01 15.79 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-O 124.612 2.148 . . . . 0.0 107.182 176.431 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 70.3 p -142.79 140.1 31.23 Favored 'General case' 0 CA--C 1.577 2.009 0 N-CA-C 106.322 -1.732 . . . . 0.0 106.322 168.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.383 0.2 OUTLIER . . . . . 0 C--O 1.253 1.24 0 O-C-N 126.35 2.281 . . . . 0.0 113.548 -169.639 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 203' ' ' SGN . . . . . 0.636 ' HN ' ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.429 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 58.4 ttt85 . . . . . 0 N--CA 1.502 2.136 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 1' ' ' ARG . 14.1 Cg_exo -54.12 146.27 49.69 Favored 'Trans proline' 0 C--O 1.268 1.989 0 C-N-CA 122.867 2.378 . . . . 0.0 110.315 178.308 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -57.17 -24.85 61.05 Favored 'Trans proline' 0 CA--C 1.485 -1.927 0 N-CA-C 117.178 1.953 . . . . 0.0 117.178 -162.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -134.62 -1.15 2.82 Favored 'General case' 0 CA--C 1.61 3.281 0 N-CA-C 115.275 1.584 . . . . 0.0 115.275 -174.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -135.53 170.65 15.62 Favored 'General case' 0 CA--C 1.613 3.373 0 CA-C-N 120.811 1.641 . . . . 0.0 109.056 -173.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.7 p -77.4 163.81 26.05 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 126.152 2.158 . . . . 0.0 111.529 157.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -56.28 -43.66 79.05 Favored 'General case' 0 C--O 1.178 -2.679 0 O-C-N 127.107 2.754 . . . . 0.0 108.913 172.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.62 -38.25 77.15 Favored 'General case' 0 N--CA 1.5 2.047 1 O-C-N 129.753 4.408 . . . . 0.0 112.872 -178.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -62.29 -52.07 65.18 Favored 'General case' 0 C--N 1.37 1.466 0 CA-C-O 126.794 3.188 . . . . 0.0 111.032 170.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -55.42 -35.69 65.67 Favored 'General case' 0 C--O 1.265 1.887 0 O-C-N 117.318 -3.364 . . . . 0.0 117.342 176.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -51.43 -49.9 60.78 Favored 'General case' 0 C--N 1.272 -2.791 0 C-N-CA 128.028 2.531 . . . . 0.0 109.879 160.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.31 -33.36 67.31 Favored 'General case' 0 N--CA 1.518 2.939 0 CA-C-N 120.08 1.309 . . . . 0.0 112.196 -175.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.3 mt -79.37 -24.93 12.54 Favored 'Isoleucine or valine' 0 C--O 1.276 2.452 0 CA-C-O 112.489 -3.625 . . . . 0.0 108.943 173.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -80.55 -20.4 43.51 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 123.12 2.691 . . . . 0.0 112.119 172.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -149.58 -1.29 0.45 Allowed 'General case' 0 CA--C 1.604 3.025 1 N-CA-C 125.727 5.455 . . . . 0.0 125.727 -161.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.4 mm -120.11 133.98 65.09 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.967 0 C-N-CA 127.915 2.486 . . . . 0.0 106.259 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.2 t -150.66 179.24 8.35 Favored 'General case' 0 N--CA 1.522 3.165 0 CA-C-N 112.719 -2.037 . . . . 0.0 111.105 175.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.6 tp -145.8 -27.42 0.44 Allowed 'General case' 0 C--O 1.197 -1.667 0 O-C-N 117.435 -3.29 . . . . 0.0 112.56 166.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -127.56 58.13 29.5 Favored Pre-proline 0 N--CA 1.485 1.289 0 CA-C-O 114.704 -2.57 . . . . 0.0 111.367 171.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -67.16 156.23 67.2 Favored 'Trans proline' 0 CA--C 1.581 2.836 0 CA-C-N 125.766 3.095 . . . . 0.0 110.395 -163.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.441 ' HG2' ' HB2' ' A' ' 26' ' ' ALA . 98.0 Cg_endo -70.47 178.04 5.43 Favored 'Trans proline' 0 C--N 1.369 1.618 0 CA-C-N 120.948 1.374 . . . . 0.0 115.57 169.091 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 60.0 mmt-85 -40.27 148.99 0.08 Allowed 'General case' 0 C--N 1.309 -1.162 0 CA-C-O 116.594 -1.67 . . . . 0.0 114.35 146.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.457 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . 80.4 m -69.3 -16.38 63.54 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 127.234 2.214 . . . . 0.0 110.002 178.272 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.1 p -58.33 -29.75 66.17 Favored 'General case' 0 CA--C 1.566 1.562 1 C-N-CA 132.634 4.374 . . . . 0.0 109.02 169.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 32.5 mm -116.9 -41.67 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.656 0 C-N-CA 128.776 2.83 . . . . 0.0 108.919 -179.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.457 ' HB3' ' HA ' ' A' ' 23' ' ' CYS . . . -52.3 -23.5 5.9 Favored 'General case' 0 N--CA 1.52 3.057 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 88.6 mmm -87.03 -26.05 23.93 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 173.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -59.93 -29.53 68.45 Favored 'General case' 0 CA--C 1.557 1.248 0 O-C-N 119.555 -1.965 . . . . 0.0 114.33 -176.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -42.38 -31.89 0.46 Allowed 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.767 2.027 . . . . 0.0 115.394 166.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.1 pt -114.84 -40.17 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.939 0 C-N-CA 125.302 1.441 . . . . 0.0 111.71 173.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -84.07 -14.52 50.27 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 116.753 -1.594 . . . . 0.0 112.327 -161.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -98.53 -11.3 22.37 Favored 'General case' 0 C--O 1.271 2.217 0 CA-C-O 125.283 2.468 . . . . 0.0 114.258 169.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -100.52 -6.42 25.47 Favored 'General case' 0 C--O 1.278 2.589 1 C-N-CA 132.313 4.245 . . . . 0.0 108.922 -168.504 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -140.39 162.5 35.16 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 128.173 3.421 . . . . 0.0 114.173 -170.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.8 p-90 -71.32 -27.09 63.15 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-O 113.747 -3.025 . . . . 0.0 115.203 -164.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -135.37 175.92 9.15 Favored 'General case' 0 C--O 1.267 2.014 0 CA-C-N 123.32 2.782 . . . . 0.0 111.276 163.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.2 m -78.43 119.46 21.78 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.562 ' HE2' ' H3 ' ' A' ' 203' ' ' SGN . 66.9 tttt -67.99 149.14 50.1 Favored 'General case' 0 C--O 1.243 0.76 0 C-N-CA 127.07 2.148 . . . . 0.0 112.396 170.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 62.9 t-20 -75.88 -50.06 16.15 Favored 'General case' 0 CA--C 1.592 2.572 0 O-C-N 125.831 1.957 . . . . 0.0 113.659 -168.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -135.96 155.82 49.68 Favored 'General case' 0 N--CA 1.396 -3.135 0 O-C-N 120.146 -1.596 . . . . 0.0 112.468 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -146.73 173.8 12.04 Favored 'General case' 0 C--O 1.259 1.582 0 O-C-N 117.902 -2.999 . . . . 0.0 108.537 161.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.6 m -133.75 133.3 41.57 Favored 'General case' 0 N--CA 1.51 2.569 0 O-C-N 128.236 3.46 . . . . 0.0 113.455 171.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -122.3 97.42 5.46 Favored 'General case' 0 CA--C 1.577 1.983 1 C-N-CA 132.034 4.133 . . . . 0.0 110.424 178.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.6 mt -59.65 135.29 57.63 Favored 'General case' 0 C--O 1.25 1.124 0 C-N-CA 125.95 1.7 . . . . 0.0 113.147 170.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -93.55 75.38 4.41 Favored 'General case' 0 N--CA 1.517 2.887 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 170.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -149.98 171.65 16.49 Favored 'General case' 0 N--CA 1.512 2.633 0 C-N-CA 124.277 1.031 . . . . 0.0 110.679 171.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.4 p -78.84 145.78 34.06 Favored 'General case' 0 CA--C 1.487 -1.476 0 C-N-CA 125.655 1.582 . . . . 0.0 112.037 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . 0.259 48.2 t80 -57.42 -34.62 69.1 Favored 'General case' 0 CA--C 1.584 2.269 0 O-C-N 118.245 -2.784 . . . . 0.0 111.603 170.622 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.99 -32.12 72.56 Favored 'General case' 0 C--O 1.264 1.851 0 N-CA-C 118.148 2.647 . . . . 0.0 118.148 174.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -68.25 -53.56 23.78 Favored 'General case' 0 CA--C 1.601 2.904 0 O-C-N 119.559 -1.963 . . . . 0.0 112.822 168.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.7 t -53.53 -38.56 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 C-N-CA 124.587 1.155 . . . . 0.0 110.58 175.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.427 HG11 ' CG ' ' A' ' 122' ' ' TYR . 69.3 t -71.3 -37.7 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 CA-C-O 123.221 1.486 . . . . 0.0 113.202 -179.236 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -59.4 -31.26 69.08 Favored 'General case' 0 CA--C 1.589 2.462 0 O-C-N 118.257 -2.777 . . . . 0.0 116.859 161.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.9 t -76.65 -19.37 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 CA-C-O 116.271 -1.823 . . . . 0.0 111.03 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 81.3 m -62.06 -15.12 42.43 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 163.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -108.39 18.02 33.36 Favored Glycine 0 C--N 1.371 2.509 0 O-C-N 119.725 -1.859 . . . . 0.0 112.859 175.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -79.36 171.41 15.21 Favored 'General case' 0 C--N 1.312 -1.046 0 O-C-N 118.597 -2.708 . . . . 0.0 108.365 172.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -30.59 127.15 0.15 Allowed 'General case' 0 C--N 1.385 2.146 0 O-C-N 117.252 -3.405 . . . . 0.0 112.199 170.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.0 m -93.61 72.37 4.31 Favored 'General case' 0 CA--C 1.602 2.97 0 CA-C-O 128.417 3.961 . . . . 0.0 107.318 -173.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 32.7 pt -72.68 -178.42 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 C-N-CA 129.293 3.037 . . . . 0.0 113.595 174.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.4 ptt85 -137.68 148.36 45.63 Favored 'General case' 0 N--CA 1.5 2.062 0 CA-C-O 117.093 -1.432 . . . . 0.0 113.278 -174.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . 0.257 81.8 m -136.18 165.78 33.05 Favored Pre-proline 0 C--N 1.282 -2.326 0 CA-C-N 119.268 0.94 . . . . 0.0 109.466 -169.022 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -63.47 -17.14 58.66 Favored 'Trans proline' 0 C--O 1.2 -1.392 0 N-CA-C 117.683 2.147 . . . . 0.0 117.683 -176.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -124.28 46.33 2.31 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.341 -1.474 . . . . 0.0 114.902 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -149.29 3.36 0.58 Allowed 'General case' 0 C--O 1.275 2.404 0 C-N-CA 128.398 2.679 . . . . 0.0 114.3 -162.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.5 ptt-85 -48.49 -27.14 2.51 Favored 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 116.644 2.09 . . . . 0.0 116.644 177.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.2 p -72.28 -21.33 61.37 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 117.197 -1.382 . . . . 0.0 111.968 -172.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -127.89 -22.77 3.47 Favored 'General case' 0 C--O 1.197 -1.674 0 N-CA-C 118.025 2.602 . . . . 0.0 118.025 163.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 43.2 t30 64.42 35.87 9.31 Favored 'General case' 0 C--O 1.207 -1.184 0 C-N-CA 126.27 1.828 . . . . 0.0 108.833 170.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -137.28 115.54 11.76 Favored 'General case' 0 N--CA 1.489 1.49 1 C-N-CA 131.994 4.118 . . . . 0.0 109.934 173.602 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 32.1 p -147.48 171.16 15.96 Favored 'General case' 0 N--CA 1.533 3.68 0 C-N-CA 131.471 3.908 . . . . 0.0 108.163 173.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -148.08 149.08 31.41 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 118.536 -2.602 . . . . 0.0 108.533 -174.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -111.92 169.71 8.65 Favored 'General case' 0 CA--C 1.571 1.777 0 O-C-N 119.835 -1.791 . . . . 0.0 111.421 159.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.4 p -71.97 174.94 6.33 Favored 'General case' 0 C--N 1.377 1.776 0 O-C-N 127.74 3.15 . . . . 0.0 107.202 -162.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -97.03 -35.39 10.85 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 127.775 2.43 . . . . 0.0 115.968 170.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -148.2 153.18 38.43 Favored 'General case' 0 CA--C 1.611 3.304 0 C-N-CA 127.237 2.215 . . . . 0.0 105.241 -169.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 31.0 mtm180 -78.57 150.4 32.81 Favored 'General case' 0 C--N 1.38 1.903 0 CA-C-O 123.842 1.782 . . . . 0.0 114.178 173.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.1 m -130.6 158.54 74.39 Favored Pre-proline 0 N--CA 1.51 2.527 0 CA-C-N 110.052 -3.249 . . . . 0.0 110.226 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.61 159.68 45.49 Favored 'Trans proline' 0 C--O 1.269 2.067 0 O-C-N 124.506 1.793 . . . . 0.0 110.95 171.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.587 ' C ' HD12 ' A' ' 80' ' ' LEU . 3.4 pp -156.4 170.03 23.24 Favored 'General case' 0 C--N 1.279 -2.474 0 O-C-N 119.629 -1.919 . . . . 0.0 110.754 177.398 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.0 tp -114.03 126.45 55.14 Favored 'General case' 0 C--O 1.265 1.879 0 N-CA-C 118.041 2.608 . . . . 0.0 118.041 161.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -105.24 145.34 30.79 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 127.1 2.16 . . . . 0.0 111.42 165.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 95.8 m -134.92 150.07 50.35 Favored 'General case' 0 C--N 1.368 1.393 0 CA-C-O 116.425 -1.75 . . . . 0.0 113.064 -173.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -152.48 100.87 2.61 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 124.618 3.372 . . . . 0.0 108.37 -143.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.3 tp -64.2 126.29 27.26 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 116.978 -1.487 . . . . 0.0 110.078 178.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 21.7 pt -61.79 -37.91 79.23 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 CA-C-O 114.956 -2.449 . . . . 0.0 115.341 -174.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -148.2 113.46 3.85 Favored Pre-proline 0 N--CA 1.497 1.911 0 O-C-N 126.549 2.406 . . . . 0.0 110.481 -174.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -52.68 -26.87 31.31 Favored 'Trans proline' 0 CA--C 1.487 -1.853 1 CA-C-O 108.88 -4.717 . . . . 0.0 111.712 -178.796 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -37.07 -42.35 0.77 Allowed Glycine 0 N--CA 1.493 2.471 0 CA-C-N 125.019 3.554 . . . . 0.0 120.215 164.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.36 144.53 37.91 Favored 'General case' 0 C--N 1.29 -1.982 0 CA-C-N 121.377 2.589 . . . . 0.0 112.263 -165.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -145.81 -9.48 0.54 Allowed 'General case' 0 N--CA 1.509 2.484 0 N-CA-C 115.917 1.821 . . . . 0.0 115.917 -175.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -93.72 125.49 38.36 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 116.274 -1.822 . . . . 0.0 113.397 168.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 42.1 pt -43.09 -32.67 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 CA-C-N 123.86 3.027 . . . . 0.0 116.141 -179.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.7 m -63.04 -42.57 99.78 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 131.128 3.771 . . . . 0.0 112.105 -175.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . 0.253 18.3 t-20 -104.77 -30.57 9.82 Favored 'General case' 0 N--CA 1.395 -3.18 0 C-N-CA 127.759 2.424 . . . . 0.0 112.011 -177.248 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 60.6 m -52.38 130.29 30.82 Favored 'General case' 0 CA--C 1.568 1.667 0 CA-C-O 126.655 3.121 . . . . 0.0 113.853 168.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -134.36 150.06 50.89 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-N 112.019 -2.355 . . . . 0.0 110.599 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -133.81 157.5 45.75 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 111.786 -2.461 . . . . 0.0 116.802 -167.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.415 ' HB1' ' NH1' ' A' ' 101' ' ' ARG . . . -125.1 153.01 43.62 Favored 'General case' 0 C--O 1.268 2.059 0 CA-C-N 113.81 -1.541 . . . . 0.0 110.599 -173.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -106.96 115.3 29.94 Favored 'General case' 0 C--N 1.289 -2.063 0 C-N-CA 129.495 3.118 . . . . 0.0 109.508 -165.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.415 ' NH1' ' HB1' ' A' ' 99' ' ' ALA . 0.9 OUTLIER -129.51 76.01 79.2 Favored Pre-proline 0 CA--C 1.57 1.723 0 N-CA-C 105.002 -2.221 . . . . 0.0 105.002 -178.232 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -73.17 167.12 28.16 Favored 'Trans proline' 0 C--O 1.267 1.942 0 O-C-N 123.681 1.358 . . . . 0.0 108.977 164.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 168.62 -158.63 31.4 Favored Glycine 1 N--CA 1.525 4.623 0 CA-C-N 112.865 -1.97 . . . . 0.0 110.263 -174.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -146.99 128.69 15.2 Favored 'General case' 0 C--N 1.394 2.517 0 CA-C-O 112.703 -3.523 . . . . 0.0 113.974 -175.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -153.0 160.97 43.06 Favored 'General case' 0 CA--C 1.557 1.248 0 CA-C-N 124.221 3.191 . . . . 0.0 112.183 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -58.43 177.03 0.15 Allowed 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 118.638 2.829 . . . . 0.0 118.638 156.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -138.45 163.07 32.87 Favored 'General case' 0 CA--C 1.583 2.225 0 N-CA-C 116.444 2.016 . . . . 0.0 116.444 167.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.2 t -132.39 131.38 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.18 0 N-CA-C 104.684 -2.339 . . . . 0.0 104.684 176.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.9 m -133.72 149.51 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 C-N-CA 129.169 2.988 . . . . 0.0 111.788 -163.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.84 150.53 30.25 Favored 'General case' 0 C--N 1.366 1.322 0 O-C-N 119.978 -1.701 . . . . 0.0 110.533 161.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 61.1 m -129.06 162.72 27.02 Favored 'General case' 0 C--O 1.25 1.129 0 O-C-N 124.698 1.249 . . . . 0.0 113.921 -178.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -138.82 -178.63 5.41 Favored 'General case' 0 C--O 1.177 -2.746 0 C-N-CA 123.167 0.587 . . . . 0.0 110.602 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -76.04 163.09 27.49 Favored 'General case' 0 CA--C 1.586 2.347 0 N-CA-C 116.007 1.854 . . . . 0.0 116.007 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -61.27 143.13 56.2 Favored 'General case' 0 C--O 1.196 -1.763 0 O-C-N 120.838 -1.164 . . . . 0.0 110.593 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . 0.282 5.5 t70 -65.72 157.2 80.41 Favored Pre-proline 0 C--O 1.189 -2.104 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 149.207 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . 0.348 52.7 Cg_exo -50.65 -34.19 42.5 Favored 'Trans proline' 0 CA--C 1.577 2.665 0 CA-C-O 114.706 -2.289 . . . . 0.0 111.714 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -131.65 -23.47 2.31 Favored 'General case' 0 CA--C 1.494 -1.206 0 CA-C-N 122.729 2.513 . . . . 0.0 115.822 -159.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -84.17 139.86 32.12 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 117.106 -3.497 . . . . 0.0 107.229 -175.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 43.7 m 38.25 61.81 4.44 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 129.906 3.282 . . . . 0.0 110.436 176.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -77.56 10.84 2.37 Favored 'Trans proline' 0 N--CA 1.435 -1.965 0 C-N-CA 124.176 3.251 . . . . 0.0 114.894 -168.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 35.4 ttt-85 -77.94 -14.13 59.64 Favored 'General case' 0 C--O 1.17 -3.09 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 172.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.427 ' CG ' HG11 ' A' ' 52' ' ' VAL . 5.5 m-85 -128.45 131.64 23.89 Favored Pre-proline 0 C--O 1.258 1.521 0 O-C-N 119.191 -2.193 . . . . 0.0 114.974 -164.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -71.52 -16.47 30.61 Favored 'Trans proline' 0 C--N 1.377 2.062 0 CA-C-N 123.113 2.148 . . . . 0.0 112.391 178.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.2 m -149.56 165.84 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.473 0 CA-C-O 116.678 -1.629 . . . . 0.0 114.413 -172.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.58 138.47 10.57 Favored Pre-proline 0 C--O 1.259 1.595 0 O-C-N 124.706 1.254 . . . . 0.0 111.141 -161.102 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -57.31 141.45 94.7 Favored 'Trans proline' 1 N--CA 1.367 -5.914 1 C-N-CA 126.115 4.543 . . . . 0.0 113.297 171.628 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 34.4 m -137.22 -17.74 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.769 0 N-CA-C 118.478 2.77 . . . . 0.0 118.478 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -143.42 158.45 43.63 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 117.154 -1.403 . . . . 0.0 113.898 173.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 22.3 tp -116.7 127.64 54.6 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 113.741 -3.028 . . . . 0.0 110.082 176.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.474 ' O ' ' HB ' ' A' ' 131' ' ' THR . 27.5 t70 -104.58 -35.43 7.85 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-N 123.84 3.018 . . . . 0.0 109.82 -168.244 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.474 ' HB ' ' O ' ' A' ' 130' ' ' ASP . 15.1 t -166.76 -173.99 2.6 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 124.543 1.137 . . . . 0.0 113.049 160.137 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 58.5 p -134.69 144.17 47.63 Favored 'General case' 0 N--CA 1.539 3.976 0 O-C-N 118.953 -2.342 . . . . 0.0 114.056 160.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.35 0.2 OUTLIER . . . . . 0 C--N 1.393 2.486 0 CA-C-N 121.819 2.1 . . . . 0.0 112.891 -162.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 203' ' ' SGN . . . . . 0.562 ' H3 ' ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 . . . . . 0 C--O 1.173 -2.955 0 CA-C-O 113.175 -3.298 . . . . 0.0 113.589 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.14 164.23 20.41 Favored 'Trans proline' 0 C--N 1.388 2.634 1 O-C-N 129.155 4.239 . . . . 0.0 114.071 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -74.42 -24.92 13.64 Favored 'Trans proline' 0 CA--C 1.566 2.085 0 N-CA-C 119.162 2.716 . . . . 0.0 119.162 -169.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -138.69 3.91 2.31 Favored 'General case' 0 N--CA 1.512 2.635 0 N-CA-C 119.804 3.261 . . . . 0.0 119.804 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -144.07 153.23 41.97 Favored 'General case' 0 N--CA 1.511 2.619 0 C-N-CA 124.446 1.098 . . . . 0.0 109.369 177.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.0 p -77.3 162.32 27.4 Favored 'General case' 0 C--O 1.262 1.715 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.18 164.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -62.33 -31.68 72.34 Favored 'General case' 0 CA--C 1.556 1.184 0 CA-C-O 112.99 -3.386 . . . . 0.0 108.06 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.9 -27.49 62.87 Favored 'General case' 0 CA--C 1.609 3.225 0 CA-C-N 122.757 2.526 . . . . 0.0 113.266 176.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -74.53 -37.08 63.16 Favored 'General case' 0 CA--C 1.569 1.687 0 C-N-CA 128.323 2.649 . . . . 0.0 109.606 169.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -70.57 -46.6 63.19 Favored 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 116.638 2.088 . . . . 0.0 116.638 174.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -33.86 -56.54 0.47 Allowed 'General case' 0 N--CA 1.438 -1.025 0 C-N-CA 127.407 2.283 . . . . 0.0 115.53 158.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.25 -51.35 61.36 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 124.893 1.277 . . . . 0.0 112.335 -177.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.0 mt -59.66 -25.61 32.35 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.994 0 O-C-N 127.928 3.268 . . . . 0.0 110.193 -174.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -88.55 -23.74 23.08 Favored 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 117.228 2.307 . . . . 0.0 117.228 174.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -137.42 -12.55 1.58 Allowed 'General case' 0 C--O 1.26 1.634 0 O-C-N 119.748 -1.845 . . . . 0.0 114.089 -166.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.1 mm -114.97 133.9 59.72 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.359 0 O-C-N 116.554 -3.841 . . . . 0.0 112.818 -169.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.1 t -161.94 -178.15 6.27 Favored 'General case' 0 CA--C 1.583 2.231 0 CA-C-N 112.572 -2.104 . . . . 0.0 111.036 -159.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.6 tp -158.31 -22.97 0.08 Allowed 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 112.411 -2.177 . . . . 0.0 113.315 172.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -157.92 72.04 4.14 Favored Pre-proline 0 CA--C 1.592 2.558 0 CA-C-N 124.844 3.474 . . . . 0.0 106.856 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.33 151.98 49.15 Favored 'Trans proline' 0 C--N 1.398 3.144 0 CA-C-O 122.68 1.033 . . . . 0.0 112.233 -165.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -70.48 174.6 9.89 Favored 'Trans proline' 0 CA--C 1.577 2.628 0 CA-C-O 123.662 1.442 . . . . 0.0 111.021 170.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.4 mmt-85 -58.79 152.98 17.87 Favored 'General case' 0 N--CA 1.428 -1.571 1 O-C-N 115.593 -4.442 . . . . 0.0 109.407 175.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.522 ' SG ' ' HA ' ' A' ' 100' ' ' ASP . 5.6 m -48.65 -34.86 12.59 Favored 'General case' 0 C--N 1.399 2.726 0 C-N-CA 127.945 2.498 . . . . 0.0 113.672 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.3 p -48.6 -48.18 39.37 Favored 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 131.462 3.905 . . . . 0.0 108.813 170.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 37.4 mm -89.24 -35.82 8.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 O-C-N 118.247 -2.783 . . . . 0.0 114.438 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.87 -39.91 55.59 Favored 'General case' 0 N--CA 1.511 2.586 0 O-C-N 119.7 -1.875 . . . . 0.0 113.616 -173.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 83.4 mmm -62.99 -16.15 58.7 Favored 'General case' 0 C--N 1.41 3.213 0 O-C-N 120.146 -1.596 . . . . 0.0 112.168 172.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -65.91 -17.72 64.85 Favored 'General case' 0 N--CA 1.508 2.444 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 165.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.71 -36.77 72.46 Favored 'General case' 0 N--CA 1.411 -2.391 0 O-C-N 119.934 -1.729 . . . . 0.0 114.576 171.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 pt -97.87 -59.87 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.547 0 CA-C-O 123.746 1.736 . . . . 0.0 108.679 173.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -76.45 -11.41 59.88 Favored 'General case' 0 CA--C 1.562 1.438 0 O-C-N 116.783 -3.698 . . . . 0.0 114.994 -159.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -102.69 27.09 7.24 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 128.921 2.888 . . . . 0.0 117.53 165.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -144.09 -37.86 0.31 Allowed 'General case' 0 N--CA 1.498 1.972 0 CA-C-O 114.102 -2.856 . . . . 0.0 105.363 -175.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -86.5 163.53 17.47 Favored 'General case' 0 CA--C 1.571 1.767 0 CA-C-N 120.821 1.646 . . . . 0.0 110.16 170.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 16.1 p-90 -57.05 -29.44 63.41 Favored 'General case' 0 N--CA 1.393 -3.318 1 N-CA-C 122.345 4.202 . . . . 0.0 122.345 174.383 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -132.39 170.51 14.99 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 127.599 2.36 . . . . 0.0 114.446 171.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 78.3 m -58.4 172.27 0.49 Allowed 'General case' 0 N--CA 1.5 2.04 0 O-C-N 127.239 2.837 . . . . 0.0 116.966 165.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.45 ' CG ' ' HN ' ' A' ' 203' ' ' SGN . 22.3 tttt -149.54 144.82 26.49 Favored 'General case' 0 CA--C 1.502 -0.896 0 C-N-CA 131.562 3.945 . . . . 0.0 110.343 172.323 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -66.97 -48.82 67.35 Favored 'General case' 0 N--CA 1.403 -2.822 0 N-CA-C 121.52 3.896 . . . . 0.0 121.52 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -141.81 150.91 42.28 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-O 123.464 1.602 . . . . 0.0 106.906 -176.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -151.34 148.97 28.79 Favored 'General case' 0 N--CA 1.503 2.185 0 C-N-CA 127.409 2.284 . . . . 0.0 113.611 163.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.2 m -114.82 142.24 46.82 Favored 'General case' 0 C--O 1.195 -1.797 0 O-C-N 128.685 3.74 . . . . 0.0 108.936 174.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -124.0 151.64 43.49 Favored 'General case' 0 CA--C 1.581 2.168 0 O-C-N 118.07 -2.894 . . . . 0.0 112.397 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.3 mt -136.46 132.59 35.58 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-N 121.531 1.969 . . . . 0.0 113.438 -166.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -92.78 77.82 4.82 Favored 'General case' 0 N--CA 1.395 -3.221 0 C-N-CA 128.612 2.765 . . . . 0.0 111.483 -174.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.9 t -153.14 159.15 42.68 Favored 'General case' 0 CA--C 1.558 1.268 0 CA-C-N 111.894 -2.412 . . . . 0.0 115.446 -178.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.9 p -74.71 127.31 32.83 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-O 114.333 -2.746 . . . . 0.0 110.893 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -40.63 -42.45 1.71 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 128.901 2.88 . . . . 0.0 108.282 170.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.17 -46.27 54.07 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 129.199 2.999 . . . . 0.0 116.307 170.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -69.29 -35.19 75.76 Favored 'General case' 0 C--N 1.282 -2.331 0 CA-C-N 121.326 1.876 . . . . 0.0 110.66 176.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.0 t -68.75 -36.58 74.96 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.289 0 O-C-N 117.78 -3.075 . . . . 0.0 111.217 177.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.41 ' O ' ' HB2' ' A' ' 55' ' ' CYS . 82.0 t -62.28 -47.29 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 125.239 1.587 . . . . 0.0 114.988 161.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . 0.301 21.6 t-20 -52.03 -36.68 50.95 Favored 'General case' 0 CA--C 1.585 2.308 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 165.621 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.1 t -72.36 -36.85 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.993 0 O-C-N 119.468 -2.02 . . . . 0.0 111.943 176.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 63.3 m -56.72 -10.25 0.98 Allowed 'General case' 0 CA--C 1.592 2.591 0 N-CA-C 117.439 2.385 . . . . 0.0 117.439 157.501 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.15 -26.31 19.14 Favored Glycine 1 CA--C 1.583 4.285 0 CA-C-O 126.785 3.436 . . . . 0.0 110.296 176.377 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -62.13 164.16 7.19 Favored 'General case' 0 N--CA 1.506 2.354 0 N-CA-C 118.798 2.888 . . . . 0.0 118.798 170.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -34.32 136.64 0.13 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 128.312 2.645 . . . . 0.0 113.6 174.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 m -73.93 131.32 41.33 Favored 'General case' 0 N--CA 1.525 3.299 0 CA-C-O 117.12 -1.419 . . . . 0.0 112.921 174.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.56 HG13 ' SG ' ' A' ' 71' ' ' CYS . 20.9 pt -136.98 -162.65 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.251 1.183 0 O-C-N 124.456 1.097 . . . . 0.0 108.923 174.143 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -147.46 153.07 39.11 Favored 'General case' 0 N--CA 1.517 2.893 0 C-N-CA 119.517 -0.873 . . . . 0.0 109.539 -175.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 68.0 m -143.88 153.36 57.32 Favored Pre-proline 0 CA--C 1.607 3.146 0 CA-C-O 116.015 -1.945 . . . . 0.0 109.887 -151.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -54.09 -8.88 1.13 Allowed 'Trans proline' 0 C--O 1.244 0.777 1 N-CA-C 122.965 4.179 . . . . 0.0 122.965 177.362 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 53.1 m80 -132.86 27.03 4.3 Favored 'General case' 0 CA--C 1.599 2.839 0 CA-C-O 116.466 -1.73 . . . . 0.0 109.817 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -130.49 -5.51 4.21 Favored 'General case' 0 N--CA 1.515 2.794 0 N-CA-C 116.5 2.037 . . . . 0.0 116.5 -168.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.3 ptt-85 -46.07 -17.16 0.03 OUTLIER 'General case' 0 C--N 1.39 2.338 0 O-C-N 119.585 -1.947 . . . . 0.0 116.161 170.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -43.59 -36.1 1.98 Allowed 'General case' 0 N--CA 1.422 -1.839 0 O-C-N 116.937 -3.602 . . . . 0.0 114.95 155.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -150.17 3.32 0.51 Allowed 'General case' 0 N--CA 1.513 2.682 0 CA-C-N 124.576 3.353 . . . . 0.0 113.558 173.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 44.08 47.19 7.37 Favored 'General case' 0 C--O 1.284 2.885 0 C-N-CA 127.432 2.293 . . . . 0.0 114.203 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -134.36 117.91 16.87 Favored 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 125.029 1.331 . . . . 0.0 112.265 166.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.56 ' SG ' HG13 ' A' ' 60' ' ' ILE . 31.3 p -145.2 -178.16 5.92 Favored 'General case' 0 C--N 1.31 -1.14 0 C-N-CA 129.104 2.961 . . . . 0.0 108.336 175.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.49 ' O ' HG13 ' A' ' 108' ' ' VAL . 96.6 m-70 -148.75 168.92 21.64 Favored 'General case' 0 CA--C 1.446 -3.039 0 C-N-CA 126.138 1.775 . . . . 0.0 112.772 -174.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 29.9 ptt85 -146.33 151.93 38.31 Favored 'General case' 0 N--CA 1.503 2.177 0 CA-C-N 114.08 -1.418 . . . . 0.0 110.474 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 67.8 p -63.77 155.69 29.51 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 126.361 2.288 . . . . 0.0 113.728 -170.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.6 mtt-85 -85.1 -38.03 19.58 Favored 'General case' 0 C--O 1.257 1.456 0 C-N-CA 125.668 1.587 . . . . 0.0 114.263 174.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -142.61 152.06 42.12 Favored 'General case' 0 CA--C 1.574 1.902 1 C-N-CA 132.328 4.251 . . . . 0.0 108.738 -176.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -73.09 167.6 20.8 Favored 'General case' 0 C--O 1.214 -0.776 0 N-CA-C 118.742 2.867 . . . . 0.0 118.742 178.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.2 m -135.85 148.03 63.53 Favored Pre-proline 0 C--N 1.379 1.884 0 CA-C-O 115.873 -2.013 . . . . 0.0 110.137 175.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -60.96 141.02 93.24 Favored 'Trans proline' 0 CA--C 1.511 -0.674 0 O-C-N 128.614 3.955 . . . . 0.0 109.741 168.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 pp -140.45 160.93 38.92 Favored 'General case' 0 CA--C 1.503 -0.852 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 34.6 tp -117.26 124.99 50.38 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 129.848 3.259 . . . . 0.0 110.139 174.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -117.61 138.13 52.16 Favored 'General case' 0 CA--C 1.595 2.707 0 C-N-CA 127.132 2.173 . . . . 0.0 106.424 176.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 97.2 m -114.44 160.33 19.3 Favored 'General case' 0 C--N 1.291 -1.944 0 CA-C-N 113.067 -1.878 . . . . 0.0 110.736 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -158.22 115.56 2.91 Favored 'General case' 0 N--CA 1.505 2.3 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 -156.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 24.0 tp -86.87 129.86 34.7 Favored 'General case' 0 C--N 1.37 1.461 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -177.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.288 35.8 pt -43.8 -41.6 1.62 Allowed 'Isoleucine or valine' 0 C--O 1.283 2.83 0 N-CA-C 119.405 3.113 . . . . 0.0 119.405 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -139.59 109.36 7.3 Favored Pre-proline 0 C--O 1.21 -0.996 0 C-N-CA 131.517 3.927 . . . . 0.0 113.292 177.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -42.09 -24.32 0.31 Allowed 'Trans proline' 0 CA--C 1.57 2.277 1 C-N-CA 128.587 6.191 . . . . 0.0 120.976 166.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -93.19 12.58 69.53 Favored Glycine 0 CA--C 1.565 3.208 0 O-C-N 124.997 1.436 . . . . 0.0 111.806 -176.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -99.25 146.96 25.65 Favored 'General case' 0 N--CA 1.506 2.373 0 O-C-N 118.443 -2.798 . . . . 0.0 110.27 176.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -134.91 -16.07 1.98 Allowed 'General case' 0 CA--C 1.58 2.103 0 O-C-N 117.782 -3.074 . . . . 0.0 108.733 -156.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -114.2 136.23 53.18 Favored 'General case' 0 CA--C 1.588 2.435 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -164.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 9.0 pt -45.91 -46.05 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.132 0 O-C-N 117.532 -3.23 . . . . 0.0 117.756 174.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.5 m -81.58 13.86 2.87 Favored 'General case' 0 C--O 1.276 2.478 0 C-N-CA 128.095 2.558 . . . . 0.0 113.78 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -136.55 -36.56 0.71 Allowed 'General case' 0 C--N 1.37 1.481 0 CA-C-O 114.274 -2.774 . . . . 0.0 107.81 174.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 56.2 m -66.58 141.28 57.89 Favored 'General case' 0 N--CA 1.413 -2.295 0 CA-C-N 123.848 3.022 . . . . 0.0 111.604 175.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -149.83 157.44 43.2 Favored 'General case' 0 N--CA 1.432 -1.33 0 C-N-CA 130.185 3.394 . . . . 0.0 112.655 178.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -139.71 156.01 47.04 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 115.887 1.81 . . . . 0.0 115.887 -163.113 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -122.54 153.81 38.73 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 116.867 -1.54 . . . . 0.0 112.667 172.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.522 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -80.75 146.98 30.73 Favored 'General case' 0 N--CA 1.524 3.234 0 CA-C-N 119.876 1.216 . . . . 0.0 111.348 177.538 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -141.36 75.23 23.2 Favored Pre-proline 0 N--CA 1.424 -1.743 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 160.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . 0.466 13.0 Cg_endo -51.65 143.94 35.44 Favored 'Trans proline' 0 CA--C 1.556 1.579 1 C-N-CA 128.994 6.463 . . . . 0.0 114.175 167.769 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -160.28 -176.14 32.04 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 107.239 -2.344 . . . . 0.0 107.239 -165.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -155.17 119.9 4.8 Favored 'General case' 1 N--CA 1.543 4.211 0 CA-C-N 113.616 -1.292 . . . . 0.0 108.359 163.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 73.2 mtm-85 -137.76 175.98 9.11 Favored 'General case' 0 C--O 1.257 1.485 0 C-N-CA 126.607 1.963 . . . . 0.0 111.982 178.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -87.93 167.67 13.53 Favored 'General case' 0 C--N 1.376 1.719 0 N-CA-C 106.779 -1.563 . . . . 0.0 106.779 167.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -148.25 166.87 26.66 Favored 'General case' 0 C--O 1.247 0.937 0 O-C-N 120.33 -1.481 . . . . 0.0 114.73 -176.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 72' ' ' HIS . 42.6 t -134.43 143.96 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.301 0 C-N-CA 126.26 1.824 . . . . 0.0 106.975 -173.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 10.0 m -141.25 164.58 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.469 -178.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -121.09 153.76 37.02 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 102.047 -3.316 . . . . 0.0 102.047 161.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 77.7 m -139.95 158.24 44.39 Favored 'General case' 0 C--O 1.193 -1.899 0 C-N-CA 126.85 2.06 . . . . 0.0 113.728 -161.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -138.63 173.97 11.03 Favored 'General case' 0 CA--C 1.548 0.865 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 176.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -69.62 158.99 34.25 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 116.918 -3.614 . . . . 0.0 110.863 169.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -66.36 174.55 2.63 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 116.874 2.176 . . . . 0.0 116.874 -175.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -116.16 134.55 22.77 Favored Pre-proline 0 CA--C 1.561 1.369 0 CA-C-N 113.156 -1.838 . . . . 0.0 113.326 164.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -47.45 -13.26 0.15 Allowed 'Trans proline' 1 N--CA 1.542 4.346 1 N-CA-C 122.509 4.003 . . . . 0.0 122.509 177.483 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . 0.269 67.1 mtt85 -133.45 16.27 4.04 Favored 'General case' 0 C--O 1.187 -2.189 0 C-N-CA 126.966 2.106 . . . . 0.0 114.203 -172.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -140.29 145.96 37.94 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-N 112.162 -2.29 . . . . 0.0 114.515 174.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . 0.273 3.5 m 39.28 56.52 6.02 Favored Pre-proline 0 N--CA 1.492 1.642 0 C-N-CA 128.032 2.533 . . . . 0.0 112.694 -177.536 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -55.46 -20.86 27.9 Favored 'Trans proline' 0 C--N 1.381 2.269 1 C-N-CA 127.647 5.565 . . . . 0.0 116.352 -171.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 33.8 ttt85 -67.89 -17.31 64.44 Favored 'General case' 0 CA--C 1.593 2.63 0 CA-C-O 115.146 -2.359 . . . . 0.0 115.996 175.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -126.68 148.81 66.31 Favored Pre-proline 0 N--CA 1.527 3.384 0 CA-C-N 121.077 1.762 . . . . 0.0 113.918 -164.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -78.65 -24.19 7.63 Favored 'Trans proline' 0 CA--C 1.567 2.14 0 CA-C-N 121.378 1.528 . . . . 0.0 114.251 174.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 29.8 m -137.36 160.18 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 CA-C-O 124.614 2.15 . . . . 0.0 110.097 -177.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 4.0 m -126.37 149.25 66.84 Favored Pre-proline 0 C--O 1.29 3.209 0 O-C-N 117.37 -3.331 . . . . 0.0 116.947 171.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -73.16 147.32 42.38 Favored 'Trans proline' 0 C--N 1.3 -2.019 1 C-N-CA 128.109 5.872 . . . . 0.0 110.561 164.357 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.4 m -137.7 -14.35 0.59 Allowed 'Isoleucine or valine' 1 N--CA 1.54 4.027 0 N-CA-C 115.547 1.684 . . . . 0.0 115.547 -174.308 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -161.75 126.42 3.4 Favored 'General case' 0 N--CA 1.51 2.539 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 172.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 8.5 tp -76.32 117.72 18.28 Favored 'General case' 0 C--O 1.187 -2.219 0 C-N-CA 128.858 2.863 . . . . 0.0 103.548 172.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -86.36 -47.53 9.27 Favored 'General case' 0 C--N 1.287 -2.146 0 N-CA-C 116.882 2.179 . . . . 0.0 116.882 174.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 5.2 t -161.91 173.42 14.52 Favored 'General case' 0 C--O 1.205 -1.239 0 CA-C-N 122.385 2.357 . . . . 0.0 113.652 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 64.5 p -126.96 158.74 36.05 Favored 'General case' 0 CA--C 1.491 -1.29 0 O-C-N 126.699 2.5 . . . . 0.0 107.655 169.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.265 0.2 OUTLIER . . . . . 0 N--CA 1.512 2.664 0 CA-C-O 114.309 -2.758 . . . . 0.0 112.101 -173.259 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 203' ' ' SGN . . . . . 0.45 ' HN ' ' CG ' ' A' ' 38' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo . . . . . 0 CA--C 1.576 2.621 0 N-CA-C 115.263 1.217 . . . . 0.0 115.263 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -53.37 -33.15 65.18 Favored 'Trans proline' 0 C--O 1.288 2.992 1 C-N-CA 128.119 5.879 . . . . 0.0 112.139 -168.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -128.73 1.99 5.46 Favored 'General case' 0 CA--C 1.616 3.513 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -173.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.403 ' CZ ' HD13 ' A' ' 13' ' ' ILE . 11.0 m-85 -160.57 170.34 21.08 Favored 'General case' 0 C--N 1.359 0.982 0 O-C-N 117.912 -2.993 . . . . 0.0 111.712 -174.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.0 p -68.3 165.97 17.47 Favored 'General case' 0 C--N 1.291 -1.944 0 O-C-N 126.491 2.369 . . . . 0.0 111.828 161.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -60.71 -56.83 16.54 Favored 'General case' 0 C--N 1.37 1.477 0 O-C-N 119.483 -2.011 . . . . 0.0 107.439 172.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.62 -39.62 68.11 Favored 'General case' 0 CA--C 1.592 2.566 0 N-CA-C 115.749 1.759 . . . . 0.0 115.749 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -68.41 -43.65 76.75 Favored 'General case' 0 N--CA 1.508 2.471 0 C-N-CA 118.314 -1.354 . . . . 0.0 110.663 174.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.25 51.5 t-105 -59.81 -41.54 91.48 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-O 122.346 1.07 . . . . 0.0 109.192 -177.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -57.39 -40.3 77.95 Favored 'General case' 0 C--O 1.265 1.873 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 171.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.57 -50.45 51.64 Favored 'General case' 0 CA--C 1.561 1.381 0 C-N-CA 127.19 2.196 . . . . 0.0 110.552 175.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.403 HD13 ' CZ ' ' A' ' 5' ' ' PHE . 61.4 mt -56.61 -30.52 32.13 Favored 'Isoleucine or valine' 0 C--O 1.26 1.618 0 CA-C-O 113.449 -3.167 . . . . 0.0 110.267 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -86.63 -42.67 13.25 Favored 'General case' 0 N--CA 1.397 -3.114 0 C-N-CA 131.381 3.872 . . . . 0.0 106.952 -178.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -132.73 -7.21 3.19 Favored 'General case' 0 C--N 1.403 2.927 0 N-CA-C 116.937 2.199 . . . . 0.0 116.937 -158.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.5 mm -119.82 112.15 35.72 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.241 0 CA-C-N 121.947 2.158 . . . . 0.0 106.86 -173.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.1 m -158.29 90.27 1.03 Allowed 'General case' 1 N--CA 1.551 4.591 0 N-CA-C 104.78 -2.304 . . . . 0.0 104.78 -152.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.0 tp -71.02 -32.98 69.9 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-O 115.945 -1.979 . . . . 0.0 111.943 -174.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -147.95 69.67 10.98 Favored Pre-proline 0 C--N 1.279 -2.494 0 C-N-CA 125.673 1.589 . . . . 0.0 107.764 -173.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -69.55 167.12 25.09 Favored 'Trans proline' 0 N--CA 1.501 1.966 0 C-N-CA 122.4 2.066 . . . . 0.0 113.687 -172.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -80.06 173.14 13.02 Favored 'Trans proline' 0 C--O 1.21 -0.89 0 C-N-CA 122.881 2.387 . . . . 0.0 114.626 155.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.4 mmt85 -65.53 146.07 55.31 Favored 'General case' 0 CA--C 1.583 2.215 0 C-N-CA 128.844 2.857 . . . . 0.0 110.442 172.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.552 ' SG ' ' HA ' ' A' ' 100' ' ' ASP . 35.5 m -43.23 -43.98 5.04 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 129.085 2.954 . . . . 0.0 116.958 -173.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.6 p -51.04 -29.15 11.89 Favored 'General case' 0 N--CA 1.519 3.016 0 C-N-CA 127.282 2.233 . . . . 0.0 116.236 172.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 mm -91.22 -49.56 13.31 Favored 'Isoleucine or valine' 0 C--N 1.379 1.89 0 C-N-CA 128.568 2.747 . . . . 0.0 112.753 167.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.29 -36.03 74.83 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 125.424 1.703 . . . . 0.0 112.85 -169.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 42.1 mmm -58.92 -32.29 69.42 Favored 'General case' 0 CA--C 1.572 1.805 0 C-N-CA 128.05 2.54 . . . . 0.0 114.635 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.3 35.1 mtt180 -51.37 -27.89 11.1 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 127.163 2.185 . . . . 0.0 115.906 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.87 -3.0 2.94 Favored 'General case' 0 N--CA 1.421 -1.877 0 N-CA-C 117.374 2.361 . . . . 0.0 117.374 176.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.4 pt -143.96 -39.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.386 2.158 0 O-C-N 120.362 -1.461 . . . . 0.0 111.571 165.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -69.23 -27.48 65.51 Favored 'General case' 0 CA--C 1.561 1.4 0 O-C-N 117.786 -3.072 . . . . 0.0 112.641 -171.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -97.55 23.55 7.6 Favored 'General case' 0 N--CA 1.529 3.522 0 C-N-CA 127.038 2.135 . . . . 0.0 112.488 167.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -134.06 -20.35 1.94 Allowed 'General case' 0 CA--C 1.577 2.006 0 O-C-N 124.701 1.251 . . . . 0.0 114.27 173.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -108.65 155.6 20.51 Favored 'General case' 0 CA--C 1.484 -1.57 0 C-N-CA 128.169 2.587 . . . . 0.0 113.592 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -18.06 42.04 Favored 'General case' 0 C--O 1.265 1.872 0 N-CA-C 119.916 3.302 . . . . 0.0 119.916 -166.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -139.86 157.38 45.81 Favored 'General case' 0 N--CA 1.489 1.49 1 C-N-CA 132.232 4.213 . . . . 0.0 113.211 173.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 78.8 m -58.39 120.61 9.07 Favored 'General case' 0 N--CA 1.412 -2.346 0 N-CA-C 117.306 2.336 . . . . 0.0 117.306 159.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -77.64 133.52 38.39 Favored 'General case' 0 C--N 1.367 1.358 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 162.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . 0.266 9.1 t-20 -57.29 -42.1 81.08 Favored 'General case' 0 C--N 1.28 -2.447 0 C-N-CA 126.69 1.996 . . . . 0.0 113.051 -175.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -138.1 141.16 40.23 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 117.871 -3.018 . . . . 0.0 104.785 -163.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -148.64 163.25 37.83 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 116.898 2.184 . . . . 0.0 116.898 161.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.2 m -135.36 135.64 40.87 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 122.9 1.333 . . . . 0.0 109.295 -166.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -143.28 93.95 2.55 Favored 'General case' 0 C--O 1.262 1.726 0 CA-C-O 124.519 2.104 . . . . 0.0 106.783 -160.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.3 mt -71.22 116.93 12.1 Favored 'General case' 1 CA--C 1.631 4.067 0 O-C-N 117.86 -3.025 . . . . 0.0 116.984 -178.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -70.54 62.66 0.25 Allowed 'General case' 0 CA--C 1.581 2.167 0 CA-C-O 124.267 1.984 . . . . 0.0 108.263 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.1 t -138.94 166.84 23.42 Favored 'General case' 0 N--CA 1.525 3.316 0 C-N-CA 125.609 1.564 . . . . 0.0 113.488 172.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . 0.325 10.1 p -84.09 137.77 33.39 Favored 'General case' 0 N--CA 1.519 2.987 1 C-N-CA 132.731 4.412 . . . . 0.0 117.364 174.574 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -57.46 -33.42 67.95 Favored 'General case' 0 C--N 1.38 1.907 0 N-CA-C 117.816 2.524 . . . . 0.0 117.816 -177.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.77 -43.99 27.95 Favored 'General case' 0 N--CA 1.446 -0.656 1 CA-C-O 111.528 -4.082 . . . . 0.0 115.591 172.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -62.94 -43.57 98.42 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 127.304 2.877 . . . . 0.0 111.145 171.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . 0.294 2.7 t -66.79 -37.84 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 CA-C-N 113.842 -1.526 . . . . 0.0 109.317 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 42.5 t -62.43 -32.87 56.55 Favored 'Isoleucine or valine' 0 C--O 1.256 1.447 0 N-CA-C 117.617 2.451 . . . . 0.0 117.617 169.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -67.39 -33.78 75.9 Favored 'General case' 0 C--O 1.202 -1.415 0 CA-C-O 116.003 -1.951 . . . . 0.0 110.123 168.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 51.8 t -75.3 -21.38 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.4 -2.945 0 CA-C-N 123.388 2.813 . . . . 0.0 110.57 -176.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 55.2 m -86.96 25.5 1.3 Allowed 'General case' 0 N--CA 1.4 -2.933 0 C-N-CA 125.555 1.542 . . . . 0.0 113.204 162.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.35 14.19 2.99 Favored Glycine 0 CA--C 1.545 1.961 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 163.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -79.72 171.19 15.46 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 120.674 2.237 . . . . 0.0 105.33 170.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -53.53 137.9 35.31 Favored 'General case' 0 C--O 1.283 2.866 0 O-C-N 126.347 2.279 . . . . 0.0 112.489 173.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 62.3 m -69.18 124.57 24.15 Favored 'General case' 0 N--CA 1.532 3.644 0 CA-C-O 123.204 1.478 . . . . 0.0 114.853 175.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.6 pt -118.73 -168.15 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.36 0 CA-C-O 123.012 1.386 . . . . 0.0 107.44 169.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -140.02 158.33 44.24 Favored 'General case' 0 C--N 1.371 1.53 0 N-CA-C 115.678 1.733 . . . . 0.0 115.678 177.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 49.0 m -128.24 169.44 12.69 Favored Pre-proline 0 C--N 1.391 2.406 0 O-C-N 119.65 -1.906 . . . . 0.0 109.657 -163.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -51.4 -38.93 64.2 Favored 'Trans proline' 0 N--CA 1.491 1.331 1 C-N-CA 127.015 5.143 . . . . 0.0 113.623 -177.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -134.67 71.31 1.44 Allowed 'General case' 0 C--N 1.386 2.182 0 N-CA-C 104.571 -2.381 . . . . 0.0 104.571 -166.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -142.48 3.64 1.51 Allowed 'General case' 0 CA--C 1.559 1.326 0 C-N-CA 125.061 1.344 . . . . 0.0 114.598 -157.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -64.51 -23.52 67.3 Favored 'General case' 0 CA--C 1.574 1.866 0 O-C-N 118.75 -2.469 . . . . 0.0 116.267 -172.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 48.3 p -80.63 7.2 10.63 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 124.091 0.869 . . . . 0.0 112.025 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.321 1.9 pt? -143.24 -20.74 0.62 Allowed 'General case' 0 CA--C 1.618 3.58 0 C-N-CA 117.962 -1.495 . . . . 0.0 112.198 164.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.3 t30 39.63 40.78 0.68 Allowed 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 120.162 3.393 . . . . 0.0 120.162 -159.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -152.85 121.38 6.37 Favored 'General case' 0 N--CA 1.408 -2.556 0 C-N-CA 126.949 2.1 . . . . 0.0 107.706 -170.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 31.2 p -147.18 174.13 11.88 Favored 'General case' 0 CA--C 1.568 1.635 1 C-N-CA 134.087 4.955 . . . . 0.0 109.502 169.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -151.41 155.69 39.15 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -113.93 154.44 27.56 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 125.277 1.611 . . . . 0.0 106.778 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.1 p -71.38 140.94 50.34 Favored 'General case' 0 N--CA 1.384 -3.738 0 O-C-N 128.323 3.514 . . . . 0.0 110.839 -178.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -80.26 -21.61 42.57 Favored 'General case' 0 C--O 1.283 2.857 0 CA-C-O 115.742 -2.075 . . . . 0.0 112.295 -173.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -141.67 167.91 21.03 Favored 'General case' 0 C--O 1.277 2.544 0 N-CA-C 105.033 -2.21 . . . . 0.0 105.033 172.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -75.4 154.75 36.98 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 117.741 -3.1 . . . . 0.0 111.874 -171.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.8 m -135.51 153.28 77.59 Favored Pre-proline 0 C--O 1.274 2.36 0 CA-C-O 118.795 -0.622 . . . . 0.0 111.542 166.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . 0.252 61.2 Cg_endo -62.98 168.03 11.27 Favored 'Trans proline' 0 CA--C 1.546 1.125 0 C-N-CA 124.315 3.343 . . . . 0.0 110.347 170.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -163.05 -177.83 5.68 Favored 'General case' 0 C--O 1.186 -2.246 1 O-C-N 112.245 -6.534 . . . . 0.0 117.638 174.174 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.5 tp -137.9 148.36 45.26 Favored 'General case' 0 C--O 1.194 -1.83 0 CA-C-N 112.978 -1.919 . . . . 0.0 112.347 167.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . 0.265 12.2 t60 -125.88 150.3 48.01 Favored 'General case' 0 C--O 1.263 1.799 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 173.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 77.9 m -131.09 153.61 49.14 Favored 'General case' 0 C--O 1.25 1.088 0 C-N-CA 127.05 2.14 . . . . 0.0 109.439 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -145.64 109.52 4.82 Favored 'General case' 0 CA--C 1.602 2.947 0 C-N-CA 128.541 2.736 . . . . 0.0 113.161 -161.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 16.6 tp -65.27 104.67 0.97 Allowed 'General case' 0 CA--C 1.569 1.701 0 C-N-CA 126.419 1.888 . . . . 0.0 110.818 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.301 0.3 OUTLIER -74.44 -13.2 15.53 Favored 'Isoleucine or valine' 0 C--N 1.395 2.579 0 O-C-N 119.337 -2.102 . . . . 0.0 114.674 -162.732 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -140.4 97.76 7.48 Favored Pre-proline 0 C--N 1.37 1.489 0 C-N-CA 129.023 2.929 . . . . 0.0 107.277 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -48.85 -9.5 0.09 OUTLIER 'Trans proline' 0 N--CA 1.498 1.792 1 C-N-CA 128.851 6.368 . . . . 0.0 115.927 172.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -88.56 -15.83 59.47 Favored Glycine 1 CA--C 1.579 4.063 0 CA-C-N 122.43 2.377 . . . . 0.0 111.579 -177.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.4 ' HB1' ' SG ' ' A' ' 96' ' ' CYS . . . -69.43 135.05 49.72 Favored 'General case' 0 N--CA 1.436 -1.167 1 O-C-N 114.961 -4.846 . . . . 0.0 107.326 168.724 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -119.9 -6.62 10.04 Favored 'General case' 0 C--O 1.267 1.999 0 CA-C-N 111.338 -2.664 . . . . 0.0 113.559 172.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -142.89 159.97 41.22 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 125.416 2.531 . . . . 0.0 113.845 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.6 pt -67.11 -8.43 7.96 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.227 1 O-C-N 116.183 -4.073 . . . . 0.0 119.064 -171.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 55.1 p -78.35 -13.39 59.87 Favored 'General case' 0 C--O 1.25 1.131 0 C-N-CA 127.549 2.34 . . . . 0.0 112.292 171.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -142.84 -20.37 0.66 Allowed 'General case' 0 N--CA 1.416 -2.14 0 N-CA-C 118.562 2.801 . . . . 0.0 118.562 -175.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.4 ' SG ' ' HB1' ' A' ' 90' ' ' ALA . 82.6 m -67.72 137.95 55.88 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.781 0.8 . . . . 0.0 109.302 175.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -145.54 138.19 25.89 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 128.686 2.794 . . . . 0.0 107.856 -162.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.268 27.1 m-85 -135.81 -177.14 4.55 Favored 'General case' 0 C--N 1.353 0.719 0 O-C-N 120.267 -1.52 . . . . 0.0 109.625 -168.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -155.41 165.19 37.39 Favored 'General case' 0 CA--C 1.583 2.232 0 C-N-CA 130.915 3.686 . . . . 0.0 113.805 167.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.552 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 5.4 m-20 -93.31 148.5 21.99 Favored 'General case' 0 C--N 1.382 2.02 0 O-C-N 117.888 -3.008 . . . . 0.0 112.656 -169.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -143.9 84.77 9.5 Favored Pre-proline 0 N--CA 1.538 3.931 0 O-C-N 127.28 2.863 . . . . 0.0 117.128 171.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -79.87 157.74 24.22 Favored 'Trans proline' 0 N--CA 1.415 -3.119 1 C-N-CA 125.495 4.13 . . . . 0.0 112.181 -175.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -172.91 161.77 33.09 Favored Glycine 0 CA--C 1.573 3.662 0 O-C-N 126.952 2.658 . . . . 0.0 114.851 -162.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -138.11 112.7 8.85 Favored 'General case' 0 N--CA 1.518 2.957 0 CA-C-O 127.508 3.527 . . . . 0.0 116.693 171.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 81.9 mtm-85 -148.87 164.22 35.13 Favored 'General case' 0 C--O 1.177 -2.72 0 CA-C-N 112.524 -2.126 . . . . 0.0 112.535 -164.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -76.98 174.2 10.89 Favored 'General case' 0 CA--C 1.576 1.952 0 CA-C-O 116.24 -1.838 . . . . 0.0 109.147 168.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -144.06 163.72 32.72 Favored 'General case' 0 CA--C 1.572 1.79 0 CA-C-O 124.345 2.022 . . . . 0.0 107.747 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.5 t -131.59 126.63 58.14 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.17 0 O-C-N 117.343 -3.348 . . . . 0.0 114.24 -176.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.9 m -137.4 158.34 34.98 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.683 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -168.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -117.96 165.27 13.91 Favored 'General case' 0 C--O 1.255 1.343 0 O-C-N 119.351 -2.093 . . . . 0.0 107.494 174.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 3.3 m -158.91 151.62 21.92 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.507 -158.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -157.33 -178.09 7.09 Favored 'General case' 0 N--CA 1.405 -2.702 0 O-C-N 119.005 -2.309 . . . . 0.0 105.596 -175.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -48.4 159.81 0.19 Allowed 'General case' 0 CA--C 1.587 2.369 0 N-CA-C 118.562 2.801 . . . . 0.0 118.562 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -58.19 169.67 0.8 Allowed 'General case' 0 CA--C 1.609 3.213 0 C-N-CA 124.709 1.204 . . . . 0.0 113.823 161.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -99.13 136.16 20.6 Favored Pre-proline 0 N--CA 1.515 2.79 0 C-N-CA 126.762 2.025 . . . . 0.0 109.341 176.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -48.65 -28.49 12.53 Favored 'Trans proline' 0 C--N 1.367 1.544 0 N-CA-C 117.426 2.048 . . . . 0.0 117.426 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 38.2 mtm105 -121.14 16.41 11.55 Favored 'General case' 0 N--CA 1.517 2.918 0 CA-C-O 116.235 -1.841 . . . . 0.0 107.102 -171.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -139.8 134.47 31.83 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 125.543 3.792 . . . . 0.0 113.56 173.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.9 m 38.95 58.17 5.77 Favored Pre-proline 0 N--CA 1.496 1.839 0 N-CA-C 117.83 2.53 . . . . 0.0 117.83 167.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -54.1 -27.94 48.5 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 123.747 2.965 . . . . 0.0 115.678 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 49.6 tpt85 -43.11 -20.48 0.02 OUTLIER 'General case' 0 C--N 1.356 0.883 0 N-CA-C 117.554 2.428 . . . . 0.0 117.554 -177.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -125.14 110.79 26.8 Favored Pre-proline 0 CA--C 1.573 1.828 0 N-CA-C 105.084 -2.191 . . . . 0.0 105.084 -171.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -67.73 -23.34 42.23 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.988 2.459 . . . . 0.0 113.574 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -141.46 138.55 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 CA-C-N 121.625 2.011 . . . . 0.0 106.192 -174.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 23.2 m -137.25 148.86 63.92 Favored Pre-proline 0 C--O 1.255 1.347 0 C-N-CA 127.494 2.317 . . . . 0.0 109.644 -170.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -66.79 161.2 43.06 Favored 'Trans proline' 0 C--N 1.407 3.62 0 C-N-CA 124.098 3.199 . . . . 0.0 113.875 173.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 33.7 m -162.93 -7.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.51 2.568 0 CA-C-O 116.295 -1.812 . . . . 0.0 113.763 -166.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 40.8 t60 -159.51 172.31 18.1 Favored 'General case' 0 C--N 1.367 1.328 0 CA-C-N 122.372 2.351 . . . . 0.0 110.751 171.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 57.8 tp -132.03 131.37 42.42 Favored 'General case' 0 CA--C 1.585 2.308 0 C-N-CA 127.975 2.51 . . . . 0.0 114.435 -175.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -110.76 -51.8 2.84 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 119.348 -2.095 . . . . 0.0 113.805 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 10.0 t -166.14 177.96 6.62 Favored 'General case' 0 CA--C 1.574 1.888 0 CA-C-N 121.379 1.9 . . . . 0.0 113.484 177.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 81.7 p -137.1 148.16 46.52 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 125.331 1.453 . . . . 0.0 113.206 172.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.586 2.343 0 CA-C-O 114.597 -2.62 . . . . 0.0 108.936 -166.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo . . . . . 0 N--CA 1.521 3.095 0 N-CA-C 121.135 3.475 . . . . 0.0 121.135 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -52.92 -25.31 27.31 Favored 'Trans proline' 0 C--N 1.378 2.12 0 N-CA-C 120.312 3.159 . . . . 0.0 120.312 -174.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -130.64 -14.04 3.68 Favored 'General case' 0 C--N 1.359 0.979 0 CA-C-N 121.956 2.162 . . . . 0.0 113.787 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -142.68 178.41 7.65 Favored 'General case' 0 C--O 1.188 -2.134 0 CA-C-O 126.022 2.82 . . . . 0.0 110.5 -177.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.0 p -84.16 162.92 20.06 Favored 'General case' 0 C--N 1.368 1.407 0 O-C-N 118.623 -2.548 . . . . 0.0 108.188 168.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -61.33 -44.34 97.35 Favored 'General case' 0 N--CA 1.53 3.555 0 CA-C-N 119.32 0.964 . . . . 0.0 111.416 -170.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.01 -34.04 70.96 Favored 'General case' 0 CA--C 1.579 2.071 0 N-CA-C 117.55 2.426 . . . . 0.0 117.55 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -56.77 -44.49 81.86 Favored 'General case' 0 CA--C 1.554 1.108 0 O-C-N 124.957 1.411 . . . . 0.0 111.16 161.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -69.91 -29.62 66.84 Favored 'General case' 0 CA--C 1.593 2.633 0 CA-C-N 122.797 2.544 . . . . 0.0 114.422 173.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -65.57 -45.17 84.34 Favored 'General case' 0 N--CA 1.52 3.059 0 CA-C-N 119.908 1.231 . . . . 0.0 113.168 167.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.45 -59.04 6.09 Favored 'General case' 0 CA--C 1.598 2.824 0 C-N-CA 131.092 3.757 . . . . 0.0 109.597 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.3 mt -44.61 -52.4 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.615 3.472 0 CA-C-N 120.44 1.473 . . . . 0.0 110.397 168.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -73.81 -12.55 60.72 Favored 'General case' 0 C--N 1.392 2.429 0 CA-C-N 120.735 1.607 . . . . 0.0 110.019 -169.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -142.64 -13.5 0.76 Allowed 'General case' 0 CA--C 1.584 2.285 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 -164.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.0 mm -131.42 103.12 6.81 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.297 0 O-C-N 116.366 -3.959 . . . . 0.0 105.03 -158.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.9 m -154.84 118.18 4.49 Favored 'General case' 0 C--N 1.382 1.982 0 CA-C-N 114.381 -1.281 . . . . 0.0 109.036 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.5 tp -63.76 -36.94 85.52 Favored 'General case' 0 C--O 1.253 1.256 0 O-C-N 127.58 3.05 . . . . 0.0 110.868 -177.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -144.55 63.45 10.82 Favored Pre-proline 0 N--CA 1.418 -2.057 0 C-N-CA 125.634 1.573 . . . . 0.0 113.244 -172.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -45.63 162.78 0.1 OUTLIER 'Trans proline' 0 CA--C 1.589 3.226 0 O-C-N 126.756 2.977 . . . . 0.0 114.665 174.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -84.25 -174.45 1.84 Allowed 'Trans proline' 0 CA--C 1.493 -1.53 0 C-N-CA 123.574 2.849 . . . . 0.0 112.569 160.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.6 mmt-85 -54.85 137.64 44.71 Favored 'General case' 0 C--O 1.199 -1.575 0 CA-C-O 117.511 -1.233 . . . . 0.0 112.031 161.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 20.9 m -43.27 -35.47 1.48 Allowed 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 117.79 2.515 . . . . 0.0 117.79 172.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.8 p -61.55 -27.86 68.92 Favored 'General case' 0 C--O 1.257 1.474 0 CA-C-O 117.021 -1.466 . . . . 0.0 113.321 176.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.9 mm -85.82 -40.91 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.664 1.585 . . . . 0.0 113.018 170.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.36 -40.53 85.78 Favored 'General case' 0 C--N 1.395 2.562 0 CA-C-O 126.487 3.042 . . . . 0.0 115.731 -169.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 37.1 mmm -56.4 -18.72 11.99 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 113.004 -1.907 . . . . 0.0 113.277 170.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -63.3 -16.42 60.28 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 117.501 -3.25 . . . . 0.0 117.163 171.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.31 -19.31 65.78 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 117.345 -3.347 . . . . 0.0 115.884 174.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.1 pt -138.44 -32.7 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.513 2.709 0 CA-C-O 114.308 -2.758 . . . . 0.0 118.169 164.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -69.23 -9.5 53.34 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-N 121.723 2.056 . . . . 0.0 106.839 -177.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -104.96 6.14 33.31 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 119.263 -2.148 . . . . 0.0 114.636 175.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -135.45 -37.17 0.77 Allowed 'General case' 0 C--N 1.346 0.42 0 O-C-N 118.401 -2.687 . . . . 0.0 110.156 -175.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.81 147.54 52.42 Favored 'General case' 1 N--CA 1.373 -4.284 0 O-C-N 117.938 -2.976 . . . . 0.0 112.026 158.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -46.38 -36.81 6.81 Favored 'General case' 0 N--CA 1.512 2.652 0 N-CA-C 116.164 1.912 . . . . 0.0 116.164 -175.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -144.26 178.9 7.58 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 125.96 2.79 . . . . 0.0 108.779 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 37.1 m -79.7 113.17 17.65 Favored 'General case' 0 CA--C 1.597 2.758 1 O-C-N 115.952 -4.218 . . . . 0.0 114.442 -177.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -59.11 138.67 57.46 Favored 'General case' 0 N--CA 1.513 2.722 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 164.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -70.02 -49.85 47.33 Favored 'General case' 0 C--O 1.206 -1.199 0 C-N-CA 128.426 2.69 . . . . 0.0 114.772 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -137.93 147.87 44.76 Favored 'General case' 0 C--O 1.272 2.287 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 -177.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -153.09 159.88 42.85 Favored 'General case' 0 N--CA 1.5 2.067 0 C-N-CA 127.311 2.244 . . . . 0.0 112.197 167.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.2 m -144.24 142.44 30.48 Favored 'General case' 0 CA--C 1.568 1.665 0 O-C-N 128.493 3.621 . . . . 0.0 110.366 -173.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -132.35 131.45 41.92 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 127.553 2.341 . . . . 0.0 111.331 -173.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.9 mt -85.4 129.99 34.69 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 123.627 1.679 . . . . 0.0 109.616 175.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -78.74 57.23 2.03 Favored 'General case' 0 CA--C 1.561 1.384 0 CA-C-O 125.317 2.484 . . . . 0.0 111.474 174.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.6 t -141.77 -173.05 3.68 Favored 'General case' 0 N--CA 1.526 3.356 0 O-C-N 118.266 -2.771 . . . . 0.0 107.125 -176.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.5 p -93.98 149.89 20.84 Favored 'General case' 0 C--O 1.203 -1.348 0 N-CA-C 116.627 2.084 . . . . 0.0 116.627 176.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -52.93 -33.94 53.12 Favored 'General case' 0 CA--C 1.563 1.449 0 O-C-N 117.855 -3.028 . . . . 0.0 110.83 168.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.57 -35.22 75.17 Favored 'General case' 0 C--N 1.385 2.125 0 C-N-CA 124.202 1.001 . . . . 0.0 112.138 -176.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -66.33 -34.24 77.54 Favored 'General case' 0 CA--C 1.576 1.971 0 CA-C-O 116.703 -1.618 . . . . 0.0 113.569 169.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.4 t -70.48 -32.53 50.27 Favored 'Isoleucine or valine' 0 C--O 1.259 1.563 0 N-CA-C 115.983 1.845 . . . . 0.0 115.983 173.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.8 t -74.39 -37.6 45.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 C-N-CA 130.569 3.547 . . . . 0.0 110.911 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -53.73 -39.65 65.45 Favored 'General case' 0 CA--C 1.564 1.492 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 157.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.5 t -74.1 -26.29 20.8 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.185 0 O-C-N 120.319 -1.488 . . . . 0.0 108.248 -176.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 34.5 m -67.95 -5.48 17.31 Favored 'General case' 0 CA--C 1.463 -2.373 0 N-CA-C 119.525 3.157 . . . . 0.0 119.525 166.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -119.21 12.99 11.25 Favored Glycine 0 N--CA 1.499 2.873 0 N-CA-C 119.13 2.412 . . . . 0.0 119.13 164.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -66.44 178.74 1.15 Allowed 'General case' 0 CA--C 1.606 3.117 0 N-CA-C 103.414 -2.809 . . . . 0.0 103.414 160.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -46.17 149.49 0.71 Allowed 'General case' 0 CA--C 1.569 1.68 0 C-N-CA 127.151 2.181 . . . . 0.0 113.34 167.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.6 m -79.68 136.51 36.81 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 117.632 2.456 . . . . 0.0 117.632 165.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.9 pt -137.63 176.87 6.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 C-N-CA 127.725 2.41 . . . . 0.0 110.558 173.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -119.91 164.88 15.39 Favored 'General case' 0 N--CA 1.515 2.778 1 O-C-N 115.91 -4.244 . . . . 0.0 111.503 171.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 57.4 m -138.0 160.48 64.29 Favored Pre-proline 0 N--CA 1.486 1.33 0 O-C-N 128.087 3.367 . . . . 0.0 107.606 -172.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -79.8 -9.34 14.49 Favored 'Trans proline' 0 C--O 1.161 -3.336 0 N-CA-C 119.148 2.711 . . . . 0.0 119.148 -164.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -126.17 34.89 4.77 Favored 'General case' 0 C--O 1.269 2.128 0 CA-C-O 123.251 1.5 . . . . 0.0 114.434 170.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -129.52 -14.33 4.19 Favored 'General case' 0 C--N 1.375 1.706 1 O-C-N 116.128 -4.108 . . . . 0.0 113.199 -160.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -50.64 -10.76 0.07 Allowed 'General case' 0 CA--C 1.56 1.349 0 C-N-CA 128.198 2.599 . . . . 0.0 117.206 -163.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.4 p -78.5 -6.83 56.53 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-O 111.874 -3.917 . . . . 0.0 112.51 174.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.51 -6.09 4.19 Favored 'General case' 0 C--N 1.315 -0.912 0 O-C-N 127.694 3.121 . . . . 0.0 113.302 158.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.339 28.5 t30 47.56 36.47 5.34 Favored 'General case' 0 CA--C 1.565 1.555 0 C-N-CA 131.672 3.989 . . . . 0.0 111.49 168.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -148.33 134.3 19.15 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 123.43 1.586 . . . . 0.0 108.433 175.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.2 p -142.31 -172.45 3.6 Favored 'General case' 0 N--CA 1.414 -2.25 0 C-N-CA 129.058 2.943 . . . . 0.0 114.174 162.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -149.29 171.56 16.3 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 125.163 1.385 . . . . 0.0 114.613 -175.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -152.2 167.08 29.72 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 117.394 -3.316 . . . . 0.0 110.225 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.4 p -75.66 144.36 41.7 Favored 'General case' 0 N--CA 1.518 2.95 0 CA-C-O 117.721 -1.133 . . . . 0.0 112.912 -170.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -75.98 -21.06 57.35 Favored 'General case' 0 N--CA 1.419 -2.018 0 CA-C-O 113.963 -2.923 . . . . 0.0 112.414 170.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -146.96 164.31 33.38 Favored 'General case' 0 C--O 1.26 1.611 0 CA-C-N 122.058 2.208 . . . . 0.0 109.334 171.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -65.19 154.35 38.28 Favored 'General case' 0 C--N 1.395 2.544 0 CA-C-O 113.149 -3.31 . . . . 0.0 111.96 -176.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.1 m -133.08 151.81 78.53 Favored Pre-proline 0 C--O 1.275 2.413 0 CA-C-N 121.02 1.736 . . . . 0.0 106.979 166.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -56.28 151.69 42.72 Favored 'Trans proline' 0 C--N 1.389 2.679 0 C-N-CA 121.583 1.522 . . . . 0.0 112.167 161.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.416 HD21 ' HB2' ' A' ' 105' ' ' ARG . 2.4 pp -154.83 168.04 28.24 Favored 'General case' 1 CA--C 1.644 4.576 0 C-N-CA 127.235 2.214 . . . . 0.0 112.224 -175.351 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.2 tp -130.22 141.32 50.64 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 125.072 1.349 . . . . 0.0 111.525 167.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -116.86 143.79 45.28 Favored 'General case' 0 C--N 1.373 1.614 0 O-C-N 125.419 1.699 . . . . 0.0 111.164 170.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . 0.255 61.1 m -125.31 141.73 51.91 Favored 'General case' 0 C--O 1.27 2.17 0 CA-C-O 126.648 3.118 . . . . 0.0 110.051 173.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -133.89 126.22 29.98 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-N 108.894 -3.776 . . . . 0.0 115.666 -161.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.0 tp -88.65 98.4 11.65 Favored 'General case' 0 C--O 1.181 -2.534 0 CA-C-O 123.381 1.562 . . . . 0.0 108.133 -175.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.274 1.5 pt -72.28 -5.14 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.822 0 C-N-CA 127.108 2.163 . . . . 0.0 115.858 -170.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.414 ' HA ' ' HD2' ' A' ' 88' ' ' PRO . 2.2 t30 -145.48 110.1 4.55 Favored Pre-proline 0 C--O 1.269 2.085 0 O-C-N 118.52 -2.612 . . . . 0.0 107.213 167.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 87' ' ' ASN . 72.2 Cg_exo -48.11 -32.47 18.8 Favored 'Trans proline' 0 N--CA 1.5 1.872 1 C-N-CA 131.099 7.866 . . . . 0.0 119.007 169.061 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -56.56 -41.82 89.57 Favored Glycine 0 C--N 1.362 2.008 0 CA-C-N 111.153 -2.749 . . . . 0.0 118.844 173.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.1 128.45 35.87 Favored 'General case' 0 N--CA 1.423 -1.814 0 C-N-CA 130.024 3.329 . . . . 0.0 115.308 177.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -140.54 -4.82 1.24 Allowed 'General case' 0 N--CA 1.526 3.362 0 CA-C-N 122.787 2.539 . . . . 0.0 115.74 175.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -110.72 146.38 36.38 Favored 'General case' 0 CA--C 1.474 -1.969 0 C-N-CA 124.915 1.286 . . . . 0.0 111.531 171.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.4 pt -47.14 -31.59 1.89 Allowed 'Isoleucine or valine' 0 C--O 1.272 2.282 1 O-C-N 114.786 -4.946 . . . . 0.0 118.226 177.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.2 p -60.58 -20.78 61.51 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 120.79 -1.194 . . . . 0.0 113.214 174.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -131.42 -10.79 3.62 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 115.613 1.708 . . . . 0.0 115.613 177.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 86.2 m -57.15 121.4 9.97 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 117.469 2.396 . . . . 0.0 117.469 169.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -137.01 158.39 44.57 Favored 'General case' 0 C--N 1.386 2.185 0 O-C-N 119.396 -2.065 . . . . 0.0 111.706 -175.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -147.74 153.54 39.39 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 118.327 -1.349 . . . . 0.0 111.56 -155.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -133.36 149.17 51.87 Favored 'General case' 0 CA--C 1.574 1.89 0 CA-C-O 123.456 1.598 . . . . 0.0 112.38 166.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.431 ' O ' ' HD2' ' A' ' 101' ' ' ARG . 1.7 m-20 -81.19 151.87 27.98 Favored 'General case' 0 C--N 1.389 2.308 0 CA-C-N 108.899 -3.773 . . . . 0.0 111.206 -174.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.431 ' HD2' ' O ' ' A' ' 100' ' ' ASP . 3.8 mpt_? -159.24 88.69 2.07 Favored Pre-proline 0 N--CA 1.516 2.857 0 C-N-CA 130.118 3.367 . . . . 0.0 113.28 -174.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -87.87 163.98 7.5 Favored 'Trans proline' 0 C--O 1.265 1.832 0 C-N-CA 124.192 3.261 . . . . 0.0 115.469 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -164.77 178.94 39.73 Favored Glycine 0 N--CA 1.432 -1.626 0 N-CA-C 117.441 1.736 . . . . 0.0 117.441 -177.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -144.4 114.18 7.24 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-N 121.846 2.823 . . . . 0.0 110.198 166.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.416 ' HB2' HD21 ' A' ' 80' ' ' LEU . 86.7 mtm-85 -144.61 164.29 31.38 Favored 'General case' 0 CA--C 1.593 2.598 0 CA-C-O 112.793 -3.48 . . . . 0.0 112.16 -163.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -72.56 176.9 5.04 Favored 'General case' 0 CA--C 1.501 -0.942 0 O-C-N 127.003 2.689 . . . . 0.0 114.203 158.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -150.11 159.74 44.18 Favored 'General case' 0 N--CA 1.507 2.405 0 C-N-CA 118.22 -1.392 . . . . 0.0 113.152 -176.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.5 t -137.82 118.03 16.02 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.314 0 CA-C-O 123.12 1.438 . . . . 0.0 108.578 -174.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.3 m -129.7 163.33 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.351 0 CA-C-N 113.823 -1.535 . . . . 0.0 113.611 -177.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -123.68 150.07 44.7 Favored 'General case' 0 CA--C 1.572 1.806 0 O-C-N 119.739 -1.851 . . . . 0.0 108.739 -177.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 68.2 m -142.68 163.68 32.15 Favored 'General case' 0 N--CA 1.514 2.774 0 CA-C-N 121.399 1.909 . . . . 0.0 115.027 -160.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -156.6 -179.45 8.2 Favored 'General case' 0 N--CA 1.425 -1.677 0 O-C-N 119.279 -2.138 . . . . 0.0 112.806 -167.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . 0.279 31.3 t-20 -51.83 152.03 3.17 Favored 'General case' 0 N--CA 1.514 2.772 0 CA-C-O 127.509 3.528 . . . . 0.0 107.679 177.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -57.07 159.69 4.14 Favored 'General case' 0 CA--C 1.604 3.031 0 O-C-N 116.764 -3.71 . . . . 0.0 110.085 164.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -63.59 147.18 95.95 Favored Pre-proline 0 C--N 1.347 0.467 0 N-CA-C 118.176 2.658 . . . . 0.0 118.176 156.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -60.05 -22.24 68.62 Favored 'Trans proline' 0 N--CA 1.488 1.147 0 C-N-CA 123.397 2.731 . . . . 0.0 116.858 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 38.9 mtm105 -142.1 29.46 1.65 Allowed 'General case' 0 N--CA 1.502 2.168 0 CA-C-O 116.434 -1.746 . . . . 0.0 110.461 -158.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -148.58 140.91 24.18 Favored 'General case' 0 N--CA 1.515 2.814 0 CA-C-N 122.664 2.484 . . . . 0.0 111.256 171.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . 0.272 4.7 m 46.77 52.11 11.34 Favored Pre-proline 0 CA--C 1.549 0.911 0 CA-C-N 120.804 1.638 . . . . 0.0 113.791 162.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -37.36 -33.88 0.21 Allowed 'Trans proline' 0 C--N 1.373 1.857 1 C-N-CA 127.421 5.414 . . . . 0.0 114.434 175.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 49.8 tpt85 -59.03 -22.93 61.47 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 118.78 2.882 . . . . 0.0 118.78 -175.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . 0.329 30.2 m-85 -115.11 95.71 43.0 Favored Pre-proline 0 N--CA 1.509 2.485 1 O-C-N 129.37 4.169 . . . . 0.0 109.414 -176.308 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -73.08 -22.43 19.4 Favored 'Trans proline' 0 CA--C 1.57 2.32 0 N-CA-C 114.847 1.056 . . . . 0.0 114.847 -170.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . 0.256 4.3 m -129.87 144.28 38.52 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.813 0 C-N-CA 126.255 1.822 . . . . 0.0 113.559 167.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 25.0 m -143.18 162.48 42.72 Favored Pre-proline 0 C--O 1.259 1.573 0 C-N-CA 124.996 1.319 . . . . 0.0 110.981 -167.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -74.58 146.65 34.82 Favored 'Trans proline' 0 C--N 1.4 3.238 0 C-N-CA 124.204 3.269 . . . . 0.0 111.559 175.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 35.7 m -124.82 -23.33 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 N-CA-C 118.706 2.854 . . . . 0.0 118.706 176.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -152.54 170.79 19.31 Favored 'General case' 0 C--N 1.39 2.35 0 O-C-N 118.242 -2.786 . . . . 0.0 112.877 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 24.4 tp -129.37 151.62 49.82 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 126.765 2.026 . . . . 0.0 107.347 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -121.84 -50.14 2.07 Favored 'General case' 0 N--CA 1.515 2.781 0 CA-C-O 127.62 3.581 . . . . 0.0 115.316 -168.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.3 t -164.74 172.89 12.45 Favored 'General case' 0 N--CA 1.519 2.997 0 O-C-N 117.256 -3.403 . . . . 0.0 109.17 -173.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 76.1 p -150.78 135.07 16.98 Favored 'General case' 0 C--O 1.279 2.625 0 C-N-CA 126.863 2.065 . . . . 0.0 105.85 177.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.441 ' N ' HD13 ' A' ' 133' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.952 0 O-C-N 125.985 2.053 . . . . 0.0 112.741 -160.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo . . . . . 0 N--CA 1.43 -2.256 0 N-CA-C 115.323 1.24 . . . . 0.0 115.323 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.274 21.2 Cg_exo -57.24 -22.25 47.83 Favored 'Trans proline' 0 N--CA 1.448 -1.165 0 C-N-CA 124.453 3.435 . . . . 0.0 115.666 -173.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -132.06 -12.85 3.21 Favored 'General case' 0 N--CA 1.516 2.825 0 CA-C-N 123.621 2.919 . . . . 0.0 113.855 176.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -126.9 179.92 5.15 Favored 'General case' 0 C--O 1.19 -2.071 0 O-C-N 117.88 -3.012 . . . . 0.0 111.038 -176.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.7 p -79.29 167.66 20.61 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.088 -1.632 . . . . 0.0 110.753 152.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -64.04 -51.8 62.43 Favored 'General case' 0 N--CA 1.498 1.973 0 CA-C-O 123.441 1.591 . . . . 0.0 111.836 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.2 -43.37 98.37 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.527 -1.358 . . . . 0.0 110.268 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -63.29 -37.83 88.77 Favored 'General case' 0 CA--C 1.558 1.269 0 O-C-N 118.251 -2.78 . . . . 0.0 116.068 175.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.7 t-105 -56.59 -39.63 73.86 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 121.669 3.951 . . . . 0.0 121.669 165.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -52.49 -48.99 65.61 Favored 'General case' 0 C--O 1.249 1.028 0 C-N-CA 126.641 1.976 . . . . 0.0 112.702 161.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.4 -44.23 96.95 Favored 'General case' 0 N--CA 1.405 -2.712 0 O-C-N 119.242 -2.161 . . . . 0.0 112.302 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 52.3 mt -58.24 -27.55 32.73 Favored 'Isoleucine or valine' 0 C--N 1.401 2.815 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . 0.264 56.3 mt-30 -99.79 -22.61 15.28 Favored 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 174.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -133.23 2.43 3.58 Favored 'General case' 0 C--N 1.378 1.815 0 CA-C-O 114.446 -2.692 . . . . 0.0 116.464 -168.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.8 mm -128.51 127.8 67.36 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-O 124.388 2.042 . . . . 0.0 106.468 -178.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.7 m -169.8 120.77 0.67 Allowed 'General case' 0 CA--C 1.479 -1.786 0 O-C-N 119.923 -1.736 . . . . 0.0 113.04 178.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 tp -67.53 -28.29 67.68 Favored 'General case' 0 C--N 1.389 2.297 0 N-CA-C 118.622 2.823 . . . . 0.0 118.622 -178.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -150.73 73.95 8.72 Favored Pre-proline 0 CA--C 1.56 1.347 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -67.09 151.14 82.14 Favored 'Trans proline' 0 CA--C 1.565 2.032 0 O-C-N 125.628 2.383 . . . . 0.0 109.05 -163.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -70.51 179.47 4.08 Favored 'Trans proline' 0 C--O 1.281 2.629 0 C-N-CA 124.336 3.357 . . . . 0.0 108.553 -173.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.431 ' HA ' ' OD1' ' A' ' 100' ' ' ASP . 46.3 mmt-85 -50.0 137.23 17.46 Favored 'General case' 0 N--CA 1.531 3.579 1 O-C-N 115.606 -4.434 . . . . 0.0 111.357 163.79 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.473 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . 95.7 m -53.66 -25.3 17.39 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 116.982 -3.573 . . . . 0.0 114.705 175.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.3 p -60.68 -29.0 69.04 Favored 'General case' 0 C--O 1.259 1.558 0 CA-C-O 115.293 -2.289 . . . . 0.0 109.593 169.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.4 mm -94.87 -37.47 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.265 0 CA-C-N 122.788 2.54 . . . . 0.0 111.264 167.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.475 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -63.44 -42.24 98.66 Favored 'General case' 0 C--N 1.28 -2.417 0 CA-C-N 121.292 1.86 . . . . 0.0 111.115 -171.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.513 ' HG3' ' CD1' ' A' ' 98' ' ' TYR . 71.7 mmm -61.14 -32.12 71.83 Favored 'General case' 0 C--N 1.312 -1.059 0 O-C-N 117.263 -3.398 . . . . 0.0 110.488 -177.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -51.48 -21.85 2.71 Favored 'General case' 0 N--CA 1.414 -2.264 0 C-N-CA 124.896 1.278 . . . . 0.0 111.283 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.83 -7.04 4.33 Favored 'General case' 0 C--O 1.278 2.56 0 O-C-N 117.39 -3.319 . . . . 0.0 114.571 175.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -137.89 -39.97 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 CA-C-N 114.386 -1.279 . . . . 0.0 112.274 171.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -74.64 -18.37 60.55 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.962 1.305 . . . . 0.0 113.426 -176.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.425 1.8 m120 -100.19 6.57 44.79 Favored 'General case' 0 C--O 1.212 -0.885 0 C-N-CA 127.957 2.503 . . . . 0.0 115.841 166.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -128.9 9.19 5.79 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-O 122.356 1.074 . . . . 0.0 112.522 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -136.07 161.39 35.83 Favored 'General case' 0 C--N 1.289 -2.049 0 O-C-N 118.44 -2.663 . . . . 0.0 107.514 175.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 -65.46 -21.78 66.68 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 119.116 -2.24 . . . . 0.0 114.687 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 70.6 mtt180 -134.36 166.05 23.74 Favored 'General case' 0 C--O 1.191 -2.005 0 CA-C-N 119.914 1.234 . . . . 0.0 113.681 172.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.6 m -67.24 120.95 14.63 Favored 'General case' 0 C--O 1.269 2.093 0 CA-C-N 113.546 -1.661 . . . . 0.0 110.858 170.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -75.04 137.65 41.63 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 127.858 2.463 . . . . 0.0 113.821 160.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -65.8 -40.58 92.03 Favored 'General case' 0 CA--C 1.558 1.27 0 N-CA-C 119.234 3.049 . . . . 0.0 119.234 -178.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -136.67 157.29 47.12 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-N 124.085 3.129 . . . . 0.0 112.281 177.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -151.83 152.7 32.98 Favored 'General case' 0 N--CA 1.526 3.351 0 CA-C-N 121.913 2.142 . . . . 0.0 115.272 155.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.2 m -114.96 148.82 38.25 Favored 'General case' 0 C--O 1.275 2.427 0 C-N-CA 125.173 1.389 . . . . 0.0 111.184 176.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.475 ' CZ ' ' HB1' ' A' ' 26' ' ' ALA . 13.3 m-85 -132.02 120.2 22.09 Favored 'General case' 0 N--CA 1.432 -1.348 0 C-N-CA 128.314 2.646 . . . . 0.0 110.709 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.5 mt -86.66 131.08 34.25 Favored 'General case' 0 N--CA 1.419 -2.01 0 C-N-CA 126.416 1.887 . . . . 0.0 111.747 178.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -91.75 51.13 1.8 Allowed 'General case' 0 C--O 1.253 1.287 0 C-N-CA 127.287 2.235 . . . . 0.0 112.292 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -139.02 165.47 27.03 Favored 'General case' 0 C--O 1.278 2.597 0 O-C-N 120.28 -1.513 . . . . 0.0 110.347 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.0 p -78.68 156.23 29.07 Favored 'General case' 0 C--O 1.197 -1.66 0 CA-C-N 122.056 2.207 . . . . 0.0 109.681 -167.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -61.51 -45.37 94.49 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 119.049 -1.061 . . . . 0.0 110.868 -170.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.88 -26.6 64.41 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-O 115.193 -2.337 . . . . 0.0 113.03 175.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -68.25 -31.87 71.65 Favored 'General case' 0 CA--C 1.583 2.227 0 C-N-CA 114.749 -2.78 . . . . 0.0 113.056 171.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.8 t -74.52 -30.08 24.94 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.913 0 C-N-CA 118.638 -1.225 . . . . 0.0 110.632 177.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.76 -40.5 81.54 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 CA-C-O 116.056 -1.926 . . . . 0.0 109.525 169.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -54.58 -30.88 55.71 Favored 'General case' 0 C--O 1.201 -1.483 0 CA-C-N 119.97 1.259 . . . . 0.0 112.571 170.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.4 t -81.58 -33.28 12.2 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.754 0 O-C-N 119.25 -2.156 . . . . 0.0 106.111 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 38.9 m -57.0 -14.66 3.81 Favored 'General case' 0 CA--C 1.573 1.838 0 N-CA-C 118.2 2.667 . . . . 0.0 118.2 161.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -81.47 -26.27 51.73 Favored Glycine 0 N--CA 1.504 3.193 0 C-N-CA 128.428 2.918 . . . . 0.0 116.749 171.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -67.29 156.78 35.53 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 128.574 2.75 . . . . 0.0 112.408 172.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -63.72 -179.57 0.39 Allowed 'General case' 0 CA--C 1.494 -1.184 0 CA-C-O 116.132 -1.889 . . . . 0.0 112.577 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 m -123.27 155.86 36.37 Favored 'General case' 0 CA--C 1.616 3.484 0 N-CA-C 116.69 2.107 . . . . 0.0 116.69 -167.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 pt -134.0 175.36 11.41 Favored 'Isoleucine or valine' 0 C--O 1.285 2.924 1 C-N-CA 131.887 4.075 . . . . 0.0 111.206 170.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -117.01 158.4 24.2 Favored 'General case' 0 CA--C 1.579 2.086 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 170.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 54.9 m -134.93 163.06 53.93 Favored Pre-proline 0 N--CA 1.508 2.434 0 C-N-CA 127.27 2.228 . . . . 0.0 112.732 -163.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . 0.308 31.5 Cg_exo -57.53 -18.72 33.45 Favored 'Trans proline' 0 C--N 1.372 1.796 0 N-CA-C 119.581 2.877 . . . . 0.0 119.581 -167.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -146.5 35.46 0.96 Allowed 'General case' 0 C--O 1.177 -2.725 0 CA-C-O 127.618 3.58 . . . . 0.0 115.55 -163.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -118.87 19.13 13.16 Favored 'General case' 0 N--CA 1.512 2.65 0 O-C-N 118.529 -2.607 . . . . 0.0 113.052 -152.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.1 ptt-85 -59.18 -42.49 90.95 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-O 115.816 -2.04 . . . . 0.0 110.601 -166.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.5 p -62.47 4.67 0.14 Allowed 'General case' 0 CA--C 1.611 3.309 0 CA-C-O 113.91 -2.948 . . . . 0.0 117.173 178.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 68' ' ' LEU . 1.6 pt? -147.79 -14.4 0.37 Allowed 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 121.258 1.844 . . . . 0.0 112.748 163.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 32.4 t30 46.82 41.02 9.88 Favored 'General case' 0 CA--C 1.58 2.128 0 CA-C-N 121.831 2.105 . . . . 0.0 115.48 -173.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -158.69 123.54 4.2 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 111.898 -2.41 . . . . 0.0 115.283 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.3 p -135.18 175.76 9.28 Favored 'General case' 0 C--O 1.272 2.262 0 C-N-CA 126.689 1.996 . . . . 0.0 107.801 164.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -147.67 145.36 28.89 Favored 'General case' 0 N--CA 1.498 1.954 0 CA-C-O 116.291 -1.814 . . . . 0.0 109.695 -171.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -123.48 152.31 41.83 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 125.257 1.423 . . . . 0.0 110.832 -175.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.0 p -79.11 160.6 26.98 Favored 'General case' 0 N--CA 1.5 2.048 0 C-N-CA 124.477 1.111 . . . . 0.0 113.133 -169.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -91.52 -11.18 38.14 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 117.579 -3.201 . . . . 0.0 109.193 -177.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -153.39 160.85 42.72 Favored 'General case' 0 C--O 1.208 -1.108 0 CA-C-N 120.751 1.614 . . . . 0.0 111.133 -174.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 32.4 mtm180 -67.65 146.57 53.7 Favored 'General case' 0 C--O 1.189 -2.115 0 O-C-N 118.912 -2.367 . . . . 0.0 109.369 175.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.7 m -129.69 155.36 80.48 Favored Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 119.998 -1.689 . . . . 0.0 113.309 165.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -68.26 165.93 27.01 Favored 'Trans proline' 0 CA--C 1.546 1.081 0 N-CA-C 107.048 -1.943 . . . . 0.0 107.048 171.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 pp -165.53 158.39 15.69 Favored 'General case' 0 N--CA 1.504 2.25 1 O-C-N 132.861 6.351 . . . . 0.0 111.506 -167.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 102' ' ' PRO 0.28 47.0 tp -121.54 127.97 51.53 Favored 'General case' 0 C--O 1.191 -2.009 0 O-C-N 125.676 1.86 . . . . 0.0 110.602 156.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -97.12 158.41 15.45 Favored 'General case' 0 C--O 1.182 -2.463 0 O-C-N 118.085 -2.884 . . . . 0.0 113.512 157.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 77.1 m -145.62 141.86 28.55 Favored 'General case' 0 C--O 1.183 -2.396 0 C-N-CA 127.436 2.294 . . . . 0.0 112.966 -169.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -148.04 117.94 7.17 Favored 'General case' 0 CA--C 1.581 2.14 0 CA-C-N 113.617 -1.629 . . . . 0.0 114.776 -150.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 88' ' ' PRO . 25.0 tp -66.71 80.77 0.1 Allowed 'General case' 0 CA--C 1.603 3.008 0 C-N-CA 124.642 1.177 . . . . 0.0 110.816 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 46.0 pt -52.55 -19.91 1.84 Allowed 'Isoleucine or valine' 0 C--O 1.189 -2.105 0 N-CA-C 117.43 2.381 . . . . 0.0 117.43 -169.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -117.53 99.97 52.55 Favored Pre-proline 0 N--CA 1.49 1.554 0 CA-C-O 115.896 -2.002 . . . . 0.0 105.647 159.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.457 ' HA ' HD23 ' A' ' 85' ' ' LEU 0.284 35.2 Cg_exo -54.41 -29.47 58.87 Favored 'Trans proline' 1 N--CA 1.393 -4.432 0 C-N-CA 122.144 1.896 . . . . 0.0 114.789 173.576 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -57.8 22.08 0.02 OUTLIER Glycine 0 C--O 1.192 -2.483 1 C-N-CA 131.442 4.353 . . . . 0.0 114.866 172.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -132.5 137.84 47.33 Favored 'General case' 0 CA--C 1.568 1.648 0 CA-C-N 122.737 3.268 . . . . 0.0 115.254 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -130.38 -3.44 4.34 Favored 'General case' 0 C--N 1.379 1.87 0 N-CA-C 116.677 2.103 . . . . 0.0 116.677 177.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -120.77 130.29 53.96 Favored 'General case' 0 N--CA 1.404 -2.758 0 O-C-N 116.467 -3.896 . . . . 0.0 106.995 -175.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.292 21.8 pt -49.34 -23.12 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 N-CA-C 116.361 1.986 . . . . 0.0 116.361 176.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.0 p -59.16 -12.52 5.29 Favored 'General case' 0 CA--C 1.576 1.959 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 167.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -145.23 -17.35 0.49 Allowed 'General case' 0 N--CA 1.472 0.672 0 O-C-N 127.325 2.891 . . . . 0.0 115.504 -176.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 65.6 m -56.32 145.63 26.44 Favored 'General case' 0 C--N 1.406 3.046 0 O-C-N 119.335 -2.103 . . . . 0.0 111.459 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -141.22 149.64 41.64 Favored 'General case' 0 N--CA 1.506 2.346 0 O-C-N 126.208 2.192 . . . . 0.0 111.089 -174.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.513 ' CD1' ' HG3' ' A' ' 27' ' ' MET . 58.0 m-85 -140.0 -179.02 5.72 Favored 'General case' 0 C--O 1.277 2.525 0 N-CA-C 117.678 2.473 . . . . 0.0 117.678 -168.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -176.24 157.22 1.74 Allowed 'General case' 0 C--N 1.387 2.208 0 CA-C-O 124.34 2.019 . . . . 0.0 110.126 170.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.435 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -81.9 145.02 30.56 Favored 'General case' 0 C--O 1.289 3.16 0 N-CA-C 119.278 3.066 . . . . 0.0 119.278 -173.499 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -148.18 80.24 8.69 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 118.362 -2.711 . . . . 0.0 105.562 177.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 81' ' ' LEU . 57.8 Cg_endo -69.87 176.55 6.7 Favored 'Trans proline' 0 CA--C 1.49 -1.685 0 C-N-CA 123.838 3.025 . . . . 0.0 111.32 177.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 169.23 -170.37 42.51 Favored Glycine 0 C--N 1.392 3.642 0 CA-C-N 122.34 2.336 . . . . 0.0 115.962 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -145.22 120.19 10.01 Favored 'General case' 0 N--CA 1.432 -1.371 0 O-C-N 117.482 -3.364 . . . . 0.0 109.251 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 66.6 mtm-85 -150.34 172.64 15.08 Favored 'General case' 0 CA--C 1.466 -2.254 0 CA-C-N 121.065 1.757 . . . . 0.0 109.297 -178.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . 0.323 58.0 m-85 -72.89 178.68 4.11 Favored 'General case' 0 C--N 1.267 -3.01 0 O-C-N 118.257 -2.777 . . . . 0.0 112.828 157.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -138.64 156.96 46.98 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 126.802 2.041 . . . . 0.0 110.178 176.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.3 t -121.0 139.65 47.57 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.235 0 C-N-CA 127.58 2.352 . . . . 0.0 107.747 166.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.0 m -139.15 167.64 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 O-C-N 118.24 -2.787 . . . . 0.0 108.115 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -124.73 154.64 40.55 Favored 'General case' 0 CA--C 1.468 -2.203 0 CA-C-O 125.95 2.786 . . . . 0.0 104.842 166.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 86.2 m -144.99 170.09 16.83 Favored 'General case' 0 C--O 1.253 1.271 0 CA-C-N 112.606 -2.088 . . . . 0.0 110.182 -164.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -161.14 163.09 31.55 Favored 'General case' 0 N--CA 1.514 2.764 0 C-N-CA 129.552 3.141 . . . . 0.0 108.138 -172.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -42.03 154.36 0.05 Allowed 'General case' 0 CA--C 1.586 2.35 0 O-C-N 127.085 2.741 . . . . 0.0 107.534 160.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -68.85 158.59 34.17 Favored 'General case' 0 CA--C 1.494 -1.175 0 CA-C-O 124.984 2.326 . . . . 0.0 112.773 174.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -60.1 144.25 87.22 Favored Pre-proline 0 C--N 1.276 -2.605 0 O-C-N 119.657 -1.902 . . . . 0.0 115.994 172.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 99.7 Cg_exo -59.76 0.54 0.58 Allowed 'Trans proline' 0 CA--C 1.557 1.669 0 N-CA-C 118.084 2.302 . . . . 0.0 118.084 174.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -148.59 -3.64 0.46 Allowed 'General case' 0 C--O 1.199 -1.586 0 CA-C-N 122.031 2.196 . . . . 0.0 111.103 -170.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -133.92 139.82 46.4 Favored 'General case' 0 N--CA 1.519 2.976 0 O-C-N 120.134 -1.604 . . . . 0.0 114.892 -171.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.2 m 46.87 53.39 13.57 Favored Pre-proline 0 C--O 1.204 -1.297 0 N-CA-C 116.726 2.121 . . . . 0.0 116.726 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -56.6 -5.28 1.09 Allowed 'Trans proline' 0 N--CA 1.497 1.716 0 O-C-N 117.52 -1.884 . . . . 0.0 115.152 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.7 tpt85 -70.96 -10.59 59.99 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 128.659 2.784 . . . . 0.0 117.272 -168.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.14 143.74 17.97 Favored Pre-proline 0 CA--C 1.472 -2.036 0 C-N-CA 125.755 1.622 . . . . 0.0 114.577 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -76.12 -35.04 2.57 Favored 'Trans proline' 0 C--N 1.387 2.576 0 CA-C-O 115.575 -1.927 . . . . 0.0 113.57 -163.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 12.6 m -131.86 156.95 43.02 Favored 'Isoleucine or valine' 0 C--O 1.262 1.728 0 C-N-CA 125.969 1.708 . . . . 0.0 115.02 178.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 17.4 m -144.82 149.66 43.71 Favored Pre-proline 1 N--CA 1.539 4.015 0 C-N-CA 127.77 2.428 . . . . 0.0 109.697 -169.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -83.29 144.32 11.59 Favored 'Trans proline' 0 N--CA 1.526 3.396 0 N-CA-C 104.703 -2.845 . . . . 0.0 104.703 -176.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . 0.274 14.3 m -123.98 -12.97 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 CA-C-N 115.049 -0.978 . . . . 0.0 113.278 -174.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -155.71 135.09 12.36 Favored 'General case' 0 C--O 1.247 0.937 0 CA-C-O 114.285 -2.769 . . . . 0.0 113.474 -173.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 21.2 tp -85.58 120.44 27.03 Favored 'General case' 0 CA--C 1.494 -1.18 0 CA-C-N 123.559 2.89 . . . . 0.0 108.139 164.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -90.84 -42.37 10.68 Favored 'General case' 0 CA--C 1.563 1.467 0 CA-C-N 123.647 2.93 . . . . 0.0 108.638 -176.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 9.2 t -170.11 166.31 9.08 Favored 'General case' 0 N--CA 1.499 1.985 0 C-N-CA 123.978 0.911 . . . . 0.0 111.356 -175.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.3 p -138.69 121.88 16.93 Favored 'General case' 0 C--N 1.284 -2.244 0 C-N-CA 130.254 3.422 . . . . 0.0 112.254 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.48 -1.713 0 N-CA-C 121.158 3.762 . . . . 0.0 121.158 -159.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 31.2 Cg_exo . . . . . 0 CA--C 1.562 1.91 0 N-CA-C 118.159 2.33 . . . . 0.0 118.159 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 2' ' ' PRO . 54.1 Cg_exo -36.93 -16.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.5 1.901 1 C-N-CA 126.056 4.504 . . . . 0.0 119.236 174.711 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 5' ' ' PHE . 33.8 mt-30 -146.72 -10.77 0.46 Allowed 'General case' 0 C--N 1.406 3.063 0 CA-C-O 116.772 -1.585 . . . . 0.0 110.455 171.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 4' ' ' GLN . 22.8 m-85 -142.26 175.27 9.89 Favored 'General case' 0 CA--C 1.605 3.06 2 CA-C-N 127.679 4.763 . . . . 0.0 111.014 -168.563 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.6 p -78.99 159.03 27.83 Favored 'General case' 0 C--O 1.28 2.694 0 O-C-N 120.864 -1.148 . . . . 0.0 109.264 161.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -50.17 -49.18 53.12 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 118.004 -2.935 . . . . 0.0 113.52 165.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.77 -44.06 73.32 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 126.908 2.083 . . . . 0.0 110.736 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -79.95 -39.23 30.64 Favored 'General case' 0 C--O 1.197 -1.707 0 O-C-N 118.805 -2.434 . . . . 0.0 111.82 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.0 t-105 -55.05 -42.75 73.07 Favored 'General case' 0 N--CA 1.419 -2.014 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 167.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -54.85 -40.9 70.12 Favored 'General case' 0 CA--C 1.594 2.658 0 O-C-N 117.792 -3.068 . . . . 0.0 111.563 164.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.89 -33.49 39.88 Favored 'General case' 0 N--CA 1.427 -1.61 0 CA-C-N 123.677 2.944 . . . . 0.0 112.637 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.4 mt -60.54 -27.61 40.66 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.416 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 170.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -88.54 -23.54 23.14 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 172.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -144.06 -14.21 0.62 Allowed 'General case' 0 CA--C 1.572 1.819 0 CA-C-N 124.041 3.109 . . . . 0.0 111.287 -155.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.6 mm -134.46 125.47 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.017 -1.052 . . . . 0.0 112.349 -171.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . 0.356 13.4 m -164.41 154.08 13.92 Favored 'General case' 0 CA--C 1.48 -1.714 0 C-N-CA 126.937 2.095 . . . . 0.0 108.694 167.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.1 tp -86.22 -24.32 26.1 Favored 'General case' 0 C--O 1.181 -2.547 0 O-C-N 127.209 2.818 . . . . 0.0 116.454 -169.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -142.25 101.76 5.68 Favored Pre-proline 0 C--N 1.299 -1.624 0 C-N-CA 130.298 3.439 . . . . 0.0 109.185 146.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -73.41 163.77 36.84 Favored 'Trans proline' 0 C--N 1.381 2.245 0 CA-C-O 117.609 -1.08 . . . . 0.0 109.497 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -48.89 168.18 0.11 Allowed 'Trans proline' 1 C--N 1.437 5.202 1 C-N-CA 127.49 5.46 . . . . 0.0 116.541 163.222 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -65.03 155.15 35.62 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.265 -1.522 . . . . 0.0 109.598 155.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.461 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . 81.6 m -55.42 -27.01 45.16 Favored 'General case' 0 C--O 1.26 1.638 0 CA-C-N 113.418 -1.719 . . . . 0.0 113.386 -178.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.9 p -53.17 -31.59 43.47 Favored 'General case' 0 N--CA 1.509 2.509 0 N-CA-C 116.061 1.875 . . . . 0.0 116.061 172.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.0 mm -106.46 -53.44 6.68 Favored 'Isoleucine or valine' 1 C--O 1.15 -4.15 0 CA-C-N 111.757 -2.474 . . . . 0.0 110.373 177.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.536 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -39.26 -48.15 1.78 Allowed 'General case' 0 N--CA 1.424 -1.746 0 C-N-CA 129.502 3.121 . . . . 0.0 110.273 176.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 78.5 mmm -62.47 -36.17 81.63 Favored 'General case' 0 C--O 1.185 -2.309 0 C-N-CA 126.75 2.02 . . . . 0.0 111.769 -175.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.6 mtt-85 -57.97 -21.86 46.49 Favored 'General case' 0 N--CA 1.419 -2.021 0 O-C-N 119.958 -1.714 . . . . 0.0 110.497 -178.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.91 -8.18 0.93 Allowed 'General case' 0 C--N 1.284 -2.262 0 CA-C-N 124.225 3.193 . . . . 0.0 116.881 170.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.1 pt -142.36 -38.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.81 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -69.76 -23.07 63.32 Favored 'General case' 0 C--N 1.28 -2.414 0 CA-C-O 123.247 1.499 . . . . 0.0 109.809 -174.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -113.66 4.64 16.15 Favored 'General case' 0 CA--C 1.588 2.405 0 CA-C-O 115.778 -2.058 . . . . 0.0 112.801 -176.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -125.04 -36.6 2.52 Favored 'General case' 0 C--O 1.184 -2.352 0 O-C-N 126.643 2.464 . . . . 0.0 116.739 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -77.75 163.15 26.39 Favored 'General case' 0 N--CA 1.427 -1.583 0 O-C-N 117.837 -3.039 . . . . 0.0 113.2 152.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -64.94 -16.52 63.42 Favored 'General case' 0 CA--C 1.573 1.864 0 C-N-CA 126.394 1.878 . . . . 0.0 115.826 -171.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -143.41 164.41 30.38 Favored 'General case' 0 CA--C 1.454 -2.727 0 C-N-CA 125.174 1.39 . . . . 0.0 112.748 176.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 59.9 m -66.72 122.96 18.8 Favored 'General case' 1 N--CA 1.546 4.359 0 C-N-CA 130.033 3.333 . . . . 0.0 111.311 173.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -70.2 135.84 49.45 Favored 'General case' 0 C--N 1.271 -2.806 0 CA-C-O 117.439 -1.267 . . . . 0.0 111.107 167.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -75.63 -33.97 60.52 Favored 'General case' 0 C--O 1.206 -1.202 0 O-C-N 127.715 3.134 . . . . 0.0 112.828 -177.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -132.42 161.08 34.56 Favored 'General case' 0 CA--C 1.592 2.571 0 CA-C-N 124.261 3.21 . . . . 0.0 109.24 171.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -152.76 170.39 20.42 Favored 'General case' 1 N--CA 1.553 4.713 0 O-C-N 118.418 -2.676 . . . . 0.0 110.584 157.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 82' ' ' HIS . 9.1 m -145.68 139.85 26.86 Favored 'General case' 0 C--O 1.244 0.767 0 N-CA-C 103.745 -2.687 . . . . 0.0 103.745 178.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.536 ' CZ ' ' HB1' ' A' ' 26' ' ' ALA . 84.6 m-85 -124.41 129.01 49.91 Favored 'General case' 0 C--N 1.288 -2.084 0 C-N-CA 126.47 1.908 . . . . 0.0 109.741 178.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 mp -108.17 153.2 23.52 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 122.788 2.54 . . . . 0.0 111.058 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -101.93 61.81 0.89 Allowed 'General case' 0 C--O 1.265 1.894 0 C-N-CA 128.318 2.647 . . . . 0.0 113.763 -175.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.1 t -141.39 152.47 44.36 Favored 'General case' 0 C--O 1.19 -2.074 0 C-N-CA 128.601 2.761 . . . . 0.0 110.54 176.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.3 p -61.46 144.73 53.68 Favored 'General case' 0 N--CA 1.501 2.089 0 C-N-CA 129.594 3.158 . . . . 0.0 111.947 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -48.17 -42.95 31.06 Favored 'General case' 0 C--O 1.262 1.741 0 CA-C-O 114.399 -2.715 . . . . 0.0 110.48 160.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.83 -36.99 63.13 Favored 'General case' 0 C--O 1.275 2.444 0 O-C-N 126.727 2.517 . . . . 0.0 115.728 176.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.257 22.4 t-20 -67.91 -38.94 83.58 Favored 'General case' 0 C--O 1.258 1.55 0 N-CA-C 117.365 2.357 . . . . 0.0 117.365 168.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.2 t -62.77 -50.77 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.862 0 CA-C-O 115.716 -2.088 . . . . 0.0 109.025 173.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 42.6 t -54.64 -37.03 37.97 Favored 'Isoleucine or valine' 0 C--N 1.368 1.408 0 C-N-CA 128.906 2.882 . . . . 0.0 111.817 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -62.14 -53.68 51.94 Favored 'General case' 0 C--O 1.263 1.811 0 O-C-N 128.462 3.601 . . . . 0.0 111.218 170.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.1 t -57.34 -37.16 55.55 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.682 0 C-N-CA 126.841 2.056 . . . . 0.0 111.752 176.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 71.2 m -61.3 -18.0 56.39 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-O 114.399 -2.715 . . . . 0.0 112.792 172.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.45 -11.9 49.92 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 125.347 1.654 . . . . 0.0 115.884 173.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -48.97 162.85 0.1 Allowed 'General case' 0 CA--C 1.593 2.618 0 O-C-N 117.83 -3.159 . . . . 0.0 110.024 161.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -57.14 156.92 6.56 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-O 127.49 3.519 . . . . 0.0 110.342 -174.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.8 m -102.93 138.17 40.17 Favored 'General case' 0 N--CA 1.483 1.191 0 O-C-N 117.181 -3.449 . . . . 0.0 110.006 -172.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 9.1 pt -134.73 -172.57 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.715 0 C-N-CA 126.435 1.894 . . . . 0.0 112.557 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.9 ptt-85 -122.0 160.27 25.26 Favored 'General case' 0 C--O 1.255 1.382 0 CA-C-N 120.366 1.439 . . . . 0.0 114.743 166.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 90.7 m -134.56 169.6 13.43 Favored Pre-proline 0 C--N 1.285 -2.202 0 O-C-N 125.93 2.019 . . . . 0.0 110.875 -170.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -62.39 -34.7 75.97 Favored 'Trans proline' 0 N--CA 1.422 -2.7 0 N-CA-C 116.594 1.728 . . . . 0.0 116.594 -169.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 50.4 m170 -122.53 53.34 1.26 Allowed 'General case' 0 CA--C 1.561 1.395 0 CA-C-O 126.639 3.114 . . . . 0.0 111.901 -170.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -134.57 -2.29 2.73 Favored 'General case' 0 C--O 1.267 1.99 1 O-C-N 114.32 -5.237 . . . . 0.0 114.401 -142.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . 0.258 38.8 ptt180 -52.69 -36.03 56.51 Favored 'General case' 0 CA--C 1.556 1.202 0 N-CA-C 118.806 2.891 . . . . 0.0 118.806 -172.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 62.8 p -81.64 -3.24 52.95 Favored 'General case' 0 CA--C 1.483 -1.621 0 C-N-CA 129.592 3.157 . . . . 0.0 112.619 -166.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.567 HD11 ' HB1' ' A' ' 110' ' ' ALA 0.301 2.7 pt? -134.19 -17.24 2.11 Favored 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 115.528 -2.177 . . . . 0.0 112.81 159.225 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.271 59.8 t30 31.59 46.52 0.05 Allowed 'General case' 0 CA--C 1.586 2.354 0 C-N-CA 127.091 2.156 . . . . 0.0 112.551 -167.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -149.8 125.95 10.67 Favored 'General case' 0 CA--C 1.571 1.755 0 O-C-N 128.082 3.364 . . . . 0.0 108.403 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 32.0 p -148.87 162.47 39.77 Favored 'General case' 0 N--CA 1.496 1.862 1 O-C-N 116.201 -4.062 . . . . 0.0 112.43 169.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -140.18 150.18 43.88 Favored 'General case' 0 N--CA 1.508 2.47 1 O-C-N 115.594 -4.441 . . . . 0.0 109.178 -171.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -126.61 140.84 52.12 Favored 'General case' 0 CA--C 1.615 3.462 0 C-N-CA 125.997 1.719 . . . . 0.0 110.886 -173.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 51.3 p -56.43 141.92 40.46 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 117.81 2.522 . . . . 0.0 117.81 -177.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.9 mtt-85 -75.53 -10.68 59.66 Favored 'General case' 0 N--CA 1.532 3.658 0 CA-C-N 110.233 -3.167 . . . . 0.0 109.922 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -162.71 166.29 24.57 Favored 'General case' 0 N--CA 1.514 2.73 0 C-N-CA 131.366 3.866 . . . . 0.0 114.751 -176.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 -77.93 158.08 29.5 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.591 1.956 . . . . 0.0 107.424 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.0 m -135.7 152.25 75.75 Favored Pre-proline 0 C--O 1.276 2.451 0 O-C-N 119.582 -1.949 . . . . 0.0 107.712 176.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -63.76 145.04 90.47 Favored 'Trans proline' 0 CA--C 1.473 -2.57 0 C-N-CA 121.887 1.725 . . . . 0.0 110.323 167.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 pp -154.66 175.52 13.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 117.467 -3.271 . . . . 0.0 108.721 -174.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.9 tp -149.51 112.27 4.8 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-O 127.179 3.371 . . . . 0.0 106.906 -175.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 58.2 t60 -86.68 151.09 23.71 Favored 'General case' 0 C--N 1.384 2.07 0 C-N-CA 129.511 3.125 . . . . 0.0 108.873 173.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 99.2 m -137.75 142.5 40.95 Favored 'General case' 0 N--CA 1.508 2.439 0 CA-C-N 111.859 -2.428 . . . . 0.0 111.355 -178.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . 0.271 13.8 t0 -139.55 154.09 47.57 Favored 'General case' 0 CA--C 1.568 1.672 0 CA-C-N 113.98 -1.464 . . . . 0.0 114.061 -171.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.9 tp -103.78 138.77 39.93 Favored 'General case' 0 C--O 1.304 3.941 0 N-CA-C 104.625 -2.361 . . . . 0.0 104.625 -169.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.332 1.2 pp -81.82 -23.95 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.136 0 O-C-N 119.657 -1.902 . . . . 0.0 112.136 -173.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -123.3 83.83 52.08 Favored Pre-proline 0 CA--C 1.493 -1.212 0 O-C-N 118.979 -2.326 . . . . 0.0 111.225 -172.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . 0.25 26.3 Cg_exo -47.67 19.98 0.01 OUTLIER 'Trans proline' 0 N--CA 1.515 2.783 1 C-N-CA 127.193 5.262 . . . . 0.0 120.148 177.905 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -133.86 -10.43 1.79 Allowed Glycine 0 C--O 1.193 -2.409 0 C-N-CA 127.795 2.617 . . . . 0.0 115.785 170.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.03 133.56 55.48 Favored 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 126.444 1.897 . . . . 0.0 111.593 164.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -141.96 -4.22 1.07 Allowed 'General case' 0 CA--C 1.593 2.622 0 CA-C-O 113.804 -2.998 . . . . 0.0 111.73 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -115.75 136.45 53.04 Favored 'General case' 0 CA--C 1.562 1.442 0 CA-C-N 125.035 3.561 . . . . 0.0 111.405 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.419 HG21 HD13 ' A' ' 93' ' ' ILE . 29.1 pt -48.9 -37.59 9.39 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.875 0 C-N-CA 129.285 3.034 . . . . 0.0 113.011 -175.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.2 p -51.49 -19.2 1.33 Allowed 'General case' 0 N--CA 1.508 2.454 0 O-C-N 116.729 -3.732 . . . . 0.0 116.297 165.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -137.82 -22.28 1.09 Allowed 'General case' 0 CA--C 1.59 2.485 0 CA-C-N 121.125 1.784 . . . . 0.0 114.004 -165.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 77.7 m -69.47 132.31 46.12 Favored 'General case' 0 C--O 1.278 2.583 0 C-N-CA 128.423 2.689 . . . . 0.0 115.766 173.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -139.7 153.56 47.26 Favored 'General case' 0 C--N 1.386 2.183 0 C-N-CA 128.049 2.539 . . . . 0.0 109.182 -177.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -128.29 166.19 19.09 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 116.958 2.207 . . . . 0.0 116.958 -169.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -148.95 159.3 44.33 Favored 'General case' 0 N--CA 1.513 2.679 0 N-CA-C 107.038 -1.468 . . . . 0.0 107.038 170.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -85.9 146.69 26.6 Favored 'General case' 0 CA--C 1.488 -1.405 0 C-N-CA 129.86 3.264 . . . . 0.0 112.841 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -141.66 75.43 21.87 Favored Pre-proline 0 C--N 1.352 0.697 0 O-C-N 118.825 -2.422 . . . . 0.0 107.573 167.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -58.4 157.8 25.21 Favored 'Trans proline' 0 C--N 1.398 3.169 0 N-CA-C 117.332 2.012 . . . . 0.0 117.332 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -166.46 -175.93 37.16 Favored Glycine 0 C--N 1.369 2.364 0 N-CA-C 120.343 2.897 . . . . 0.0 120.343 -173.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -151.92 103.98 2.96 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 127.296 2.239 . . . . 0.0 113.979 172.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 59.8 mtm-85 -138.57 166.16 25.03 Favored 'General case' 0 N--CA 1.52 3.05 0 O-C-N 118.458 -2.651 . . . . 0.0 114.741 -175.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -70.18 167.03 18.73 Favored 'General case' 0 N--CA 1.519 2.978 0 CA-C-N 120.191 1.36 . . . . 0.0 109.208 164.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -139.17 160.41 39.86 Favored 'General case' 0 C--N 1.381 1.937 1 O-C-N 114.669 -5.019 . . . . 0.0 117.249 177.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 25.2 t -132.78 133.99 58.76 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 CA-C-N 109.905 -3.316 . . . . 0.0 110.231 -174.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.5 m -136.34 147.16 27.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 124.744 1.278 . . . . 0.0 112.298 -173.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.567 ' HB1' HD11 ' A' ' 68' ' ' LEU . . . -95.23 157.77 15.75 Favored 'General case' 0 N--CA 1.521 3.088 0 O-C-N 118.131 -2.855 . . . . 0.0 108.902 158.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 30.4 m -150.25 143.9 25.25 Favored 'General case' 0 CA--C 1.584 2.254 0 C-N-CA 128.578 2.751 . . . . 0.0 111.519 -162.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -152.21 165.76 33.84 Favored 'General case' 0 CA--C 1.589 2.478 0 CA-C-N 121.164 1.802 . . . . 0.0 113.686 -168.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -48.44 137.71 11.1 Favored 'General case' 0 C--O 1.259 1.553 0 C-N-CA 126.48 1.912 . . . . 0.0 111.529 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.425 ' HD2' ' HA ' ' A' ' 123' ' ' PRO . 8.1 ptm180 -42.09 152.58 0.08 Allowed 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 121.464 3.876 . . . . 0.0 121.464 170.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -70.87 122.56 87.22 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 118.504 -2.623 . . . . 0.0 107.812 164.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -48.74 -34.93 29.0 Favored 'Trans proline' 0 C--N 1.368 1.583 1 C-N-CA 125.713 4.275 . . . . 0.0 117.872 -177.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 -110.35 18.26 20.03 Favored 'General case' 0 N--CA 1.507 2.377 0 O-C-N 120.692 -1.255 . . . . 0.0 112.102 -168.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -144.78 146.29 32.06 Favored 'General case' 0 N--CA 1.419 -1.978 0 O-C-N 118.484 -2.635 . . . . 0.0 113.707 -172.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . 0.318 6.5 m 50.28 51.46 10.7 Favored Pre-proline 0 CA--C 1.595 2.685 0 N-CA-C 119.515 3.154 . . . . 0.0 119.515 161.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -86.57 19.26 1.42 Allowed 'Trans proline' 0 C--N 1.383 2.377 0 CA-C-N 121.351 1.518 . . . . 0.0 112.87 -160.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -75.1 0.59 15.65 Favored 'General case' 0 CA--C 1.571 1.765 0 O-C-N 118.066 -2.896 . . . . 0.0 116.014 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -146.83 153.27 46.04 Favored Pre-proline 0 C--N 1.377 1.787 0 O-C-N 128.105 3.378 . . . . 0.0 110.291 175.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.425 ' HA ' ' HD2' ' A' ' 114' ' ' ARG . 58.1 Cg_endo -84.26 -15.31 6.6 Favored 'Trans proline' 0 C--O 1.266 1.884 1 C-N-CA 126.546 4.83 . . . . 0.0 112.929 173.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 9.3 m -133.39 166.26 29.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 CA-C-N 118.93 0.786 . . . . 0.0 112.268 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 22.2 m -147.04 153.5 45.47 Favored Pre-proline 0 N--CA 1.535 3.795 0 C-N-CA 126.872 2.069 . . . . 0.0 109.816 -176.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -63.31 152.04 81.86 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 124.679 3.586 . . . . 0.0 113.407 170.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 22.9 m -141.7 -11.33 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.523 3.217 0 C-N-CA 115.665 -2.414 . . . . 0.0 116.389 -177.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -164.19 145.65 8.63 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 113.647 -1.615 . . . . 0.0 112.26 -177.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 20.6 tp -102.18 134.13 45.93 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 116.23 -1.843 . . . . 0.0 113.867 172.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -103.28 -54.28 2.64 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 124.974 1.421 . . . . 0.0 110.819 -171.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.9 t -161.06 169.96 21.43 Favored 'General case' 0 C--N 1.379 1.851 0 CA-C-N 114.232 -1.349 . . . . 0.0 112.387 -175.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 43.1 p -137.28 143.75 42.33 Favored 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 126.161 2.163 . . . . 0.0 110.766 165.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.253 0.2 OUTLIER . . . . . 0 C--O 1.269 2.112 0 N-CA-C 117.331 2.345 . . . . 0.0 117.331 -161.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo . . . . . 0 CA--C 1.572 2.402 0 N-CA-C 115.287 1.226 . . . . 0.0 115.287 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -70.22 -11.21 29.82 Favored 'Trans proline' 0 N--CA 1.416 -3.08 0 C-N-CA 122.844 2.362 . . . . 0.0 112.954 -159.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -145.96 24.18 1.34 Allowed 'General case' 0 CA--C 1.624 3.806 0 O-C-N 119.516 -1.99 . . . . 0.0 113.716 166.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -140.48 155.94 46.51 Favored 'General case' 0 CA--C 1.555 1.146 1 CA-C-O 128.588 4.042 . . . . 0.0 111.58 -175.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.3 p -71.6 159.34 34.6 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 116.31 -3.994 . . . . 0.0 113.418 145.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -60.56 -49.46 77.44 Favored 'General case' 0 C--N 1.361 1.085 0 CA-C-O 111.724 -3.989 . . . . 0.0 111.375 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.439 ' HB2' ' HB ' ' A' ' 125' ' ' VAL 0.277 . . -45.25 -53.15 8.69 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 127.618 3.074 . . . . 0.0 112.11 172.672 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -65.94 -35.26 80.12 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 119.79 -1.819 . . . . 0.0 114.617 -178.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -80.09 -32.55 39.22 Favored 'General case' 0 N--CA 1.499 2.02 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.254 174.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -59.76 -36.02 75.79 Favored 'General case' 0 C--O 1.275 2.434 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 164.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.28 -52.39 14.14 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 120.596 -1.315 . . . . 0.0 109.974 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.8 mt -56.79 -32.0 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.556 0 O-C-N 116.505 -3.872 . . . . 0.0 109.702 -178.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -81.14 -18.9 44.8 Favored 'General case' 0 N--CA 1.519 2.992 0 N-CA-C 116.95 2.204 . . . . 0.0 116.95 176.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -153.84 -9.0 0.15 Allowed 'General case' 0 C--O 1.187 -2.219 0 CA-C-O 113.803 -2.998 . . . . 0.0 116.388 -168.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.4 mm -134.91 102.18 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 127.956 3.285 . . . . 0.0 108.381 -176.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.1 m -154.01 104.73 2.67 Favored 'General case' 0 N--CA 1.486 1.346 1 O-C-N 129.771 4.419 . . . . 0.0 107.071 -159.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.7 tp -76.83 -31.27 56.78 Favored 'General case' 0 C--O 1.253 1.28 0 CA-C-O 114.699 -2.572 . . . . 0.0 113.245 -165.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -143.36 50.83 1.47 Allowed Pre-proline 0 N--CA 1.512 2.631 0 CA-C-N 121.903 2.138 . . . . 0.0 110.893 -173.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -69.26 161.25 46.6 Favored 'Trans proline' 0 C--N 1.296 -2.198 1 C-N-CA 129.368 6.712 . . . . 0.0 116.817 -166.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -81.7 179.89 5.37 Favored 'Trans proline' 0 N--CA 1.413 -3.215 0 C-N-CA 124.558 3.505 . . . . 0.0 108.923 173.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -73.09 172.41 11.1 Favored 'General case' 0 C--N 1.374 1.651 0 C-N-CA 118.36 -1.336 . . . . 0.0 110.987 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 77.1 m -60.82 -25.65 66.76 Favored 'General case' 0 CA--C 1.575 1.91 0 CA-C-O 114.516 -2.659 . . . . 0.0 111.169 -177.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.4 p -47.95 -31.5 5.31 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 128.355 2.662 . . . . 0.0 112.36 168.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.3 mm -115.21 -47.01 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 CA-C-O 122.927 1.346 . . . . 0.0 110.544 -177.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.7 -28.58 68.75 Favored 'General case' 0 C--O 1.267 1.983 0 C-N-CA 130.391 3.476 . . . . 0.0 111.01 -168.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 87.3 mmm -64.49 -32.46 74.1 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 173.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -56.62 -29.58 62.35 Favored 'General case' 0 N--CA 1.509 2.515 0 O-C-N 124.385 1.053 . . . . 0.0 113.229 -166.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -12.61 15.49 Favored 'General case' 0 C--O 1.252 1.227 0 C-N-CA 126.95 2.1 . . . . 0.0 113.928 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.5 pt -129.02 -38.22 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 N-CA-C 104.997 -2.223 . . . . 0.0 104.997 173.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -78.28 -28.44 47.58 Favored 'General case' 0 N--CA 1.511 2.597 0 CA-C-N 123.57 2.896 . . . . 0.0 114.044 -171.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -89.69 -33.88 16.45 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 165.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -80.06 -37.24 34.28 Favored 'General case' 0 C--O 1.169 -3.175 0 C-N-CA 127.648 2.379 . . . . 0.0 111.211 -174.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 -86.42 167.42 14.72 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 124.706 1.202 . . . . 0.0 111.406 170.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.22 -12.04 60.45 Favored 'General case' 0 N--CA 1.52 3.041 0 N-CA-C 117.489 2.403 . . . . 0.0 117.489 -165.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -152.13 153.2 33.42 Favored 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 130.707 3.603 . . . . 0.0 107.287 -174.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 83.4 m -57.37 124.4 18.78 Favored 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 130.21 3.404 . . . . 0.0 115.703 162.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -75.17 145.0 42.47 Favored 'General case' 0 CA--C 1.589 2.457 0 C-N-CA 125.484 1.513 . . . . 0.0 114.272 163.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -78.1 -30.25 49.4 Favored 'General case' 0 C--N 1.297 -1.705 0 C-N-CA 129.754 3.221 . . . . 0.0 110.842 -169.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -151.57 150.22 30.06 Favored 'General case' 0 CA--C 1.612 3.333 1 C-N-CA 132.715 4.406 . . . . 0.0 114.154 -174.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -147.87 169.07 20.62 Favored 'General case' 0 C--O 1.205 -1.255 0 C-N-CA 117.08 -1.848 . . . . 0.0 115.393 158.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.8 m -129.77 132.33 46.52 Favored 'General case' 0 N--CA 1.507 2.417 0 C-N-CA 127.365 2.266 . . . . 0.0 110.966 169.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -119.48 135.3 54.83 Favored 'General case' 0 N--CA 1.443 -0.82 0 O-C-N 123.956 0.785 . . . . 0.0 112.009 164.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.1 mp -98.33 133.95 42.02 Favored 'General case' 0 N--CA 1.392 -3.333 0 CA-C-O 124.153 1.93 . . . . 0.0 107.65 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . 0.259 71.5 mtp180 -76.66 56.43 1.14 Allowed 'General case' 0 C--O 1.194 -1.822 0 N-CA-C 118.428 2.751 . . . . 0.0 118.428 167.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.3 t -133.0 178.84 6.57 Favored 'General case' 0 CA--C 1.577 2.013 0 C-N-CA 124.296 1.038 . . . . 0.0 113.737 172.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.7 p -97.59 157.93 15.76 Favored 'General case' 0 C--N 1.289 -2.064 0 O-C-N 118.171 -2.83 . . . . 0.0 107.698 -169.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -56.9 -40.65 76.66 Favored 'General case' 0 CA--C 1.59 2.496 0 C-N-CA 127.393 2.277 . . . . 0.0 111.705 175.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.65 91.57 Favored 'General case' 0 C--O 1.2 -1.531 0 CA-C-O 117.893 -1.051 . . . . 0.0 112.253 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -49.35 -42.31 41.47 Favored 'General case' 0 C--O 1.268 2.051 0 C-N-CA 125.088 1.355 . . . . 0.0 110.631 171.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . 0.287 1.4 t -63.69 -50.16 79.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 CA-C-O 115.263 -2.303 . . . . 0.0 115.323 173.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.2 t -55.42 -27.01 20.09 Favored 'Isoleucine or valine' 0 C--O 1.269 2.109 0 O-C-N 126.788 2.555 . . . . 0.0 116.943 175.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -68.31 -53.77 22.03 Favored 'General case' 0 C--N 1.374 1.655 0 C-N-CA 128.64 2.776 . . . . 0.0 111.021 167.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.0 t -55.38 -35.31 36.63 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.333 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 171.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 80.3 m -63.32 5.16 0.18 Allowed 'General case' 0 N--CA 1.517 2.894 0 C-N-CA 127.898 2.479 . . . . 0.0 113.973 166.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -132.41 5.13 5.24 Favored Glycine 0 CA--C 1.541 1.689 0 CA-C-N 121.681 2.037 . . . . 0.0 110.782 173.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -66.89 167.97 10.63 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 115.813 1.782 . . . . 0.0 115.813 167.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -47.73 140.98 5.85 Favored 'General case' 0 N--CA 1.406 -2.665 0 N-CA-C 117.727 2.492 . . . . 0.0 117.727 175.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.4 m -91.37 115.33 27.95 Favored 'General case' 0 N--CA 1.5 2.043 0 C-N-CA 126.459 1.903 . . . . 0.0 110.379 -169.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.415 HD13 HG21 ' A' ' 60' ' ' ILE . 18.8 pt -124.12 -175.02 1.04 Allowed 'Isoleucine or valine' 0 C--O 1.259 1.601 0 O-C-N 125.631 1.832 . . . . 0.0 114.973 170.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -124.3 161.99 24.7 Favored 'General case' 0 C--O 1.267 1.994 0 O-C-N 125.247 1.592 . . . . 0.0 106.746 172.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 85.4 m -133.56 165.8 34.04 Favored Pre-proline 0 N--CA 1.4 -2.945 0 O-C-N 117.972 -2.955 . . . . 0.0 111.105 -169.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -84.55 5.63 6.18 Favored 'Trans proline' 0 N--CA 1.501 1.912 0 C-N-CA 123.827 3.018 . . . . 0.0 115.463 -175.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -136.85 34.92 2.62 Favored 'General case' 0 N--CA 1.518 2.965 0 O-C-N 117.816 -3.053 . . . . 0.0 111.787 169.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -126.15 1.72 7.17 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-O 115.894 -2.003 . . . . 0.0 113.224 -162.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.6 ptt85 -59.1 -20.76 56.42 Favored 'General case' 0 N--CA 1.514 2.73 0 C-N-CA 127.206 2.202 . . . . 0.0 114.853 -165.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.5 p -70.04 -11.92 61.23 Favored 'General case' 0 N--CA 1.528 3.463 0 N-CA-C 117.107 2.262 . . . . 0.0 117.107 175.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -144.61 -8.66 0.65 Allowed 'General case' 0 C--N 1.38 1.925 0 N-CA-C 118.736 2.865 . . . . 0.0 118.736 161.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 62.1 t30 56.24 43.82 25.93 Favored 'General case' 0 C--O 1.166 -3.301 1 CA-C-N 126.152 4.069 . . . . 0.0 111.385 165.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -166.47 102.27 0.6 Allowed 'General case' 0 C--N 1.357 0.895 0 CA-C-N 111.269 -2.696 . . . . 0.0 107.064 -169.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.0 p -140.93 174.43 10.53 Favored 'General case' 0 N--CA 1.524 3.259 0 O-C-N 125.18 1.55 . . . . 0.0 107.703 173.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -140.64 152.44 45.4 Favored 'General case' 0 N--CA 1.515 2.814 0 CA-C-O 113.936 -2.935 . . . . 0.0 114.447 -177.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -126.45 153.29 45.26 Favored 'General case' 0 CA--C 1.491 -1.297 0 CA-C-N 122.385 2.357 . . . . 0.0 110.856 177.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.438 ' HB3' ' CE2' ' A' ' 107' ' ' TYR . 73.3 p -67.02 143.58 56.68 Favored 'General case' 0 N--CA 1.427 -1.606 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 -173.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.4 mtt-85 -56.95 -36.31 70.13 Favored 'General case' 0 C--O 1.26 1.652 0 C-N-CA 127.316 2.247 . . . . 0.0 112.871 173.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -135.33 -176.2 4.19 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-O 125.611 2.624 . . . . 0.0 111.454 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 -79.97 151.55 29.99 Favored 'General case' 0 C--N 1.377 1.77 0 O-C-N 119.374 -2.079 . . . . 0.0 109.331 168.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.0 m -132.11 159.9 70.19 Favored Pre-proline 0 C--N 1.362 1.119 0 O-C-N 123.941 0.775 . . . . 0.0 112.211 167.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.08 153.5 74.8 Favored 'Trans proline' 0 C--N 1.386 2.513 0 C-N-CA 124.576 3.518 . . . . 0.0 113.616 171.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.5 pp -156.47 171.62 19.96 Favored 'General case' 0 CA--C 1.594 2.637 0 C-N-CA 126.187 1.795 . . . . 0.0 115.837 -178.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 63.7 tp -125.93 117.3 23.0 Favored 'General case' 0 CA--C 1.559 1.308 0 O-C-N 126.359 2.287 . . . . 0.0 115.939 160.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -85.6 153.1 22.62 Favored 'General case' 0 C--O 1.253 1.267 0 CA-C-N 120.96 1.709 . . . . 0.0 111.377 162.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 86.6 m -143.05 153.86 43.37 Favored 'General case' 0 CA--C 1.585 2.305 0 O-C-N 125.637 1.835 . . . . 0.0 111.927 -173.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.478 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 20.2 t70 -152.84 129.52 10.82 Favored 'General case' 0 N--CA 1.398 -3.056 0 C-N-CA 124.665 1.186 . . . . 0.0 110.193 -154.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.3 tp -76.16 95.59 3.71 Favored 'General case' 0 N--CA 1.42 -1.964 0 CA-C-O 113.606 -3.093 . . . . 0.0 113.756 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.3 pt -54.71 -21.28 6.91 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.73 0 CA-C-N 124.788 3.449 . . . . 0.0 117.934 -172.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -127.28 111.91 21.37 Favored Pre-proline 0 C--O 1.275 2.446 0 CA-C-O 123.546 1.641 . . . . 0.0 110.324 157.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_exo -62.38 -22.93 74.76 Favored 'Trans proline' 0 N--CA 1.502 2.005 0 C-N-CA 124.113 3.208 . . . . 0.0 113.745 173.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -60.35 -7.04 6.64 Favored Glycine 0 C--N 1.355 1.621 0 CA-C-O 113.426 -3.986 . . . . 0.0 118.802 167.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.15 138.98 31.03 Favored 'General case' 0 CA--C 1.592 2.588 0 O-C-N 128.655 3.209 . . . . 0.0 109.865 -166.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -141.64 -40.05 0.38 Allowed 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 118.501 2.778 . . . . 0.0 118.501 -174.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -83.64 138.52 33.3 Favored 'General case' 0 C--O 1.266 1.953 0 C-N-CA 129.435 3.094 . . . . 0.0 114.746 155.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.8 pt -48.43 -13.36 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.576 1.959 0 N-CA-C 120.183 3.401 . . . . 0.0 120.183 174.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.5 p -72.38 -14.05 61.62 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 126.855 2.062 . . . . 0.0 114.13 176.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -128.4 -24.13 3.12 Favored 'General case' 0 CA--C 1.477 -1.831 0 C-N-CA 124.541 1.136 . . . . 0.0 109.237 176.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 57.3 m -68.5 121.84 17.2 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 117.027 -3.546 . . . . 0.0 113.684 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -149.79 166.87 28.14 Favored 'General case' 0 C--O 1.255 1.374 0 C-N-CA 129.133 2.973 . . . . 0.0 105.978 -173.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.478 ' HA ' ' O ' ' A' ' 84' ' ' ASP . 51.4 m-85 -149.38 160.84 43.09 Favored 'General case' 0 CA--C 1.581 2.144 0 O-C-N 119.817 -1.802 . . . . 0.0 107.794 -152.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -147.75 159.69 43.53 Favored 'General case' 0 N--CA 1.405 -2.694 0 CA-C-O 122.754 1.264 . . . . 0.0 111.058 168.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -97.93 148.39 23.5 Favored 'General case' 0 CA--C 1.578 2.052 0 C-N-CA 126.834 2.054 . . . . 0.0 105.461 -149.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -143.18 88.72 8.03 Favored Pre-proline 0 CA--C 1.583 2.239 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.142 164.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -62.79 154.23 67.39 Favored 'Trans proline' 0 C--N 1.384 2.411 0 C-N-CA 122.267 1.978 . . . . 0.0 112.082 175.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -166.3 -172.22 33.37 Favored Glycine 1 CA--C 1.582 4.251 0 O-C-N 119.197 -2.189 . . . . 0.0 111.195 178.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -157.86 104.32 1.93 Allowed 'General case' 0 C--O 1.278 2.603 0 C-N-CA 128.992 2.917 . . . . 0.0 106.932 -176.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 80.6 mtm-85 -142.64 166.23 25.21 Favored 'General case' 0 N--CA 1.501 2.106 0 C-N-CA 125.878 1.671 . . . . 0.0 113.452 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -70.32 171.89 9.17 Favored 'General case' 0 CA--C 1.584 2.264 0 C-N-CA 128.649 2.78 . . . . 0.0 109.787 156.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.438 ' CE2' ' HB3' ' A' ' 74' ' ' SER . 37.2 p90 -148.61 167.71 24.72 Favored 'General case' 0 C--O 1.3 3.735 0 O-C-N 119.688 -1.882 . . . . 0.0 115.237 -175.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.1 t -132.66 135.96 56.65 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.642 0 CA-C-O 122.666 1.222 . . . . 0.0 108.613 175.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.6 m -135.67 148.43 28.18 Favored 'Isoleucine or valine' 0 C--N 1.385 2.146 0 O-C-N 120.832 -1.167 . . . . 0.0 109.441 -174.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -101.56 153.3 19.86 Favored 'General case' 0 N--CA 1.5 2.055 0 C-N-CA 116.177 -2.209 . . . . 0.0 105.701 164.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 12.5 m -134.47 173.72 11.34 Favored 'General case' 0 C--O 1.271 2.191 0 N-CA-C 116.56 2.059 . . . . 0.0 116.56 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . 0.255 25.3 t0 -152.99 164.44 37.97 Favored 'General case' 0 C--O 1.262 1.74 0 O-C-N 127.068 2.73 . . . . 0.0 111.175 -171.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -88.31 170.16 11.22 Favored 'General case' 0 CA--C 1.579 2.087 0 CA-C-O 115.947 -1.978 . . . . 0.0 111.953 -162.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -63.87 128.39 35.6 Favored 'General case' 0 CA--C 1.562 1.413 0 CA-C-N 121.386 1.903 . . . . 0.0 111.906 -174.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -71.71 129.74 88.02 Favored Pre-proline 0 N--CA 1.504 2.246 0 CA-C-O 116.883 -1.532 . . . . 0.0 111.032 171.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -64.65 -13.01 36.54 Favored 'Trans proline' 0 CA--C 1.573 2.427 0 C-N-CA 123.062 2.508 . . . . 0.0 112.78 -172.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 44.3 mtm180 -111.71 9.08 20.92 Favored 'General case' 0 CA--C 1.565 1.548 0 CA-C-O 113.597 -3.096 . . . . 0.0 114.884 172.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -146.38 151.12 36.95 Favored 'General case' 0 CA--C 1.593 2.597 0 CA-C-N 122.591 2.451 . . . . 0.0 114.581 174.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.6 m 55.36 43.35 1.27 Allowed Pre-proline 0 N--CA 1.515 2.789 0 C-N-CA 126.223 1.809 . . . . 0.0 115.082 169.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -56.28 -11.07 5.46 Favored 'Trans proline' 0 CA--C 1.563 1.975 0 N-CA-C 118.081 2.3 . . . . 0.0 118.081 -176.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -74.64 -14.76 60.8 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 119.477 -2.014 . . . . 0.0 112.107 -177.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -130.46 142.47 45.58 Favored Pre-proline 0 CA--C 1.585 2.318 0 CA-C-N 120.336 1.426 . . . . 0.0 111.401 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.86 -16.34 18.41 Favored 'Trans proline' 0 CA--C 1.576 2.584 0 O-C-N 115.834 -2.771 . . . . 0.0 115.191 -176.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.4 m -141.0 154.09 20.89 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.162 0 O-C-N 127.531 3.019 . . . . 0.0 112.708 -172.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.439 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 17.2 m -131.79 151.72 79.07 Favored Pre-proline 0 CA--C 1.58 2.099 0 CA-C-N 123.813 3.006 . . . . 0.0 110.948 171.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.9 158.34 34.74 Favored 'Trans proline' 0 N--CA 1.521 3.146 0 C-N-CA 122.558 2.172 . . . . 0.0 113.645 172.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 35.7 m -138.63 -27.49 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.443 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -173.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -153.06 156.42 38.72 Favored 'General case' 0 C--N 1.282 -2.367 0 C-N-CA 131.508 3.923 . . . . 0.0 115.268 -176.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.13 130.02 40.61 Favored 'General case' 0 C--O 1.251 1.144 0 CA-C-N 124.036 3.107 . . . . 0.0 105.614 176.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -85.52 -48.96 8.45 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 129.119 2.967 . . . . 0.0 115.958 -177.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.7 t -165.05 -174.51 3.32 Favored 'General case' 0 C--O 1.192 -1.957 0 C-N-CA 125.49 1.516 . . . . 0.0 114.278 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 78.2 p -132.85 144.05 49.94 Favored 'General case' 0 C--O 1.286 2.986 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.098 165.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.276 0.2 OUTLIER . . . . . 0 N--CA 1.516 2.846 0 N-CA-C 120.185 3.402 . . . . 0.0 120.185 -176.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo . . . . . 0 N--CA 1.443 -1.493 0 CA-C-O 117.63 -1.071 . . . . 0.0 114.344 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -44.03 -20.19 0.27 Allowed 'Trans proline' 1 N--CA 1.38 -5.167 1 C-N-CA 127.517 5.478 . . . . 0.0 122.332 -179.567 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -157.77 13.37 0.22 Allowed 'General case' 0 CA--C 1.581 2.156 0 O-C-N 119.133 -2.23 . . . . 0.0 115.245 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -140.01 169.19 18.16 Favored 'General case' 0 CA--C 1.59 2.519 0 C-N-CA 126.884 2.074 . . . . 0.0 108.598 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 53.2 p -89.8 157.55 17.89 Favored 'General case' 0 N--CA 1.507 2.418 0 CA-C-O 123.676 1.703 . . . . 0.0 112.958 157.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -48.72 -32.86 9.13 Favored 'General case' 0 C--N 1.406 3.045 0 O-C-N 119.597 -1.94 . . . . 0.0 114.012 174.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.66 -44.33 64.47 Favored 'General case' 0 CA--C 1.566 1.576 0 C-N-CA 128.961 2.904 . . . . 0.0 110.233 176.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -70.15 -41.41 73.9 Favored 'General case' 0 CA--C 1.558 1.265 0 CA-C-O 125.709 2.671 . . . . 0.0 111.463 -177.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.348 65.1 t-105 -71.1 -27.11 63.36 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 116.483 -3.886 . . . . 0.0 114.093 174.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -61.06 -50.4 73.44 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 119.408 -2.058 . . . . 0.0 109.807 161.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.27 -48.47 80.35 Favored 'General case' 0 C--N 1.371 1.54 0 N-CA-C 117.977 2.584 . . . . 0.0 117.977 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . 0.255 27.6 mt -57.68 -34.44 47.6 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.07 0 C-N-CA 127.773 2.429 . . . . 0.0 116.767 172.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -78.33 -22.09 48.57 Favored 'General case' 0 C--N 1.286 -2.183 0 CA-C-O 117.526 -1.226 . . . . 0.0 114.163 170.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.356 93.6 m-70 -137.26 -32.34 0.78 Allowed 'General case' 0 N--CA 1.505 2.277 0 N-CA-C 119.718 3.229 . . . . 0.0 119.718 -159.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.9 mm -119.49 113.62 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 117.889 -3.007 . . . . 0.0 114.027 -169.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -157.52 111.29 2.57 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-N 111.034 -2.803 . . . . 0.0 105.281 -170.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.287 13.1 tp -59.15 -15.62 15.51 Favored 'General case' 0 CA--C 1.565 1.546 0 N-CA-C 118.23 2.678 . . . . 0.0 118.23 175.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -156.28 67.31 4.51 Favored Pre-proline 0 C--N 1.407 3.072 0 CA-C-O 126.589 3.09 . . . . 0.0 114.147 173.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -66.92 132.63 28.81 Favored 'Trans proline' 0 C--O 1.283 2.77 1 C-N-CA 128.095 5.863 . . . . 0.0 110.635 -174.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -68.32 -176.52 1.13 Allowed 'Trans proline' 0 C--O 1.186 -2.095 0 C-N-CA 124.93 3.754 . . . . 0.0 109.989 -174.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 56.3 mmt-85 -45.71 140.25 3.56 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 126.993 3.283 . . . . 0.0 108.27 164.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 55.4 m -66.01 -26.84 67.72 Favored 'General case' 0 CA--C 1.582 2.189 0 O-C-N 117.394 -3.316 . . . . 0.0 109.632 -178.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.0 p -38.91 -46.12 1.27 Allowed 'General case' 0 C--O 1.177 -2.731 0 C-N-CA 126.462 1.905 . . . . 0.0 114.595 159.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.1 mm -89.25 -54.19 8.13 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.51 0 CA-C-O 116.492 -1.718 . . . . 0.0 110.317 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.49 -42.74 83.3 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 116.947 -1.501 . . . . 0.0 108.552 -169.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.428 ' HG3' ' CD1' ' A' ' 98' ' ' TYR . 27.2 mmm -48.81 -36.81 17.55 Favored 'General case' 0 N--CA 1.426 -1.667 0 CA-C-N 121.941 2.155 . . . . 0.0 114.97 179.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -57.27 -31.41 65.57 Favored 'General case' 0 C--O 1.274 2.355 0 C-N-CA 129.282 3.033 . . . . 0.0 112.861 -173.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.53 -29.09 9.78 Favored 'General case' 1 CA--C 1.634 4.192 0 C-N-CA 129.762 3.225 . . . . 0.0 112.452 179.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.9 pt -125.99 -45.14 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.414 -2.25 0 C-N-CA 126.921 2.089 . . . . 0.0 111.946 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -59.41 -11.97 5.24 Favored 'General case' 0 C--O 1.195 -1.798 0 N-CA-C 116.638 2.088 . . . . 0.0 116.638 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -116.74 -2.64 11.84 Favored 'General case' 0 CA--C 1.589 2.476 0 O-C-N 118.249 -2.782 . . . . 0.0 112.836 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -105.34 -4.66 21.26 Favored 'General case' 0 CA--C 1.572 1.812 0 C-N-CA 128.524 2.73 . . . . 0.0 113.083 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -139.13 170.84 15.23 Favored 'General case' 1 N--CA 1.56 5.063 0 C-N-CA 125.606 1.563 . . . . 0.0 110.479 178.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -53.28 -32.51 48.97 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 118.033 2.605 . . . . 0.0 118.033 -173.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -143.73 170.04 16.61 Favored 'General case' 0 C--O 1.2 -1.514 0 CA-C-O 126.633 3.111 . . . . 0.0 110.813 -167.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 89.3 m -79.94 103.26 9.71 Favored 'General case' 0 CA--C 1.565 1.54 0 O-C-N 119.333 -2.105 . . . . 0.0 108.858 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -67.72 136.13 53.8 Favored 'General case' 0 C--N 1.378 1.812 0 N-CA-C 101.812 -3.403 . . . . 0.0 101.812 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -62.02 -47.62 83.95 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 117.911 2.56 . . . . 0.0 117.911 176.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -130.24 157.42 42.55 Favored 'General case' 0 C--N 1.283 -2.317 0 O-C-N 116.939 -3.601 . . . . 0.0 106.859 -177.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -164.45 166.66 20.33 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 125.837 1.96 . . . . 0.0 115.684 159.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.8 m -139.62 133.2 30.35 Favored 'General case' 0 CA--C 1.562 1.425 0 C-N-CA 117.199 -1.8 . . . . 0.0 108.618 -165.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -136.17 109.69 7.97 Favored 'General case' 0 C--O 1.185 -2.309 0 C-N-CA 125.579 1.551 . . . . 0.0 108.86 -165.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -101.02 143.1 31.56 Favored 'General case' 0 CA--C 1.463 -2.402 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 -160.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -95.09 63.75 2.69 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 -171.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.8 t -141.23 -166.59 2.21 Favored 'General case' 0 CA--C 1.572 1.821 0 C-N-CA 126.886 2.074 . . . . 0.0 109.315 -178.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.2 p -141.55 150.4 42.06 Favored 'General case' 0 C--O 1.194 -1.822 0 O-C-N 119.283 -2.135 . . . . 0.0 114.667 -175.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.487 ' CZ ' ' HD2' ' A' ' 126' ' ' PRO . 44.3 t80 -55.04 -51.48 66.17 Favored 'General case' 0 C--O 1.188 -2.158 0 N-CA-C 115.907 1.817 . . . . 0.0 115.907 -165.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.89 -43.83 49.59 Favored 'General case' 0 CA--C 1.569 1.699 0 O-C-N 117.977 -2.952 . . . . 0.0 111.462 166.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -69.43 -21.65 63.73 Favored 'General case' 0 CA--C 1.505 -0.76 0 O-C-N 117.069 -3.519 . . . . 0.0 115.823 174.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 43.2 t -75.8 -40.87 39.76 Favored 'Isoleucine or valine' 0 CA--C 1.61 3.254 0 O-C-N 120.005 -1.685 . . . . 0.0 112.79 168.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.5 t -58.61 -31.12 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 118.032 -2.917 . . . . 0.0 107.472 177.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -56.1 -23.45 34.11 Favored 'General case' 0 N--CA 1.518 2.963 0 CA-C-N 122.995 2.634 . . . . 0.0 116.337 167.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.5 t -76.99 -31.99 19.19 Favored 'Isoleucine or valine' 0 C--N 1.362 1.129 0 O-C-N 116.774 -3.704 . . . . 0.0 112.222 171.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 63.8 m -70.03 -0.23 7.21 Favored 'General case' 0 CA--C 1.579 2.093 0 O-C-N 124.324 1.015 . . . . 0.0 109.027 175.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -109.12 2.12 31.4 Favored Glycine 0 C--O 1.265 2.081 0 C-N-CA 127.857 2.646 . . . . 0.0 111.571 168.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -78.57 -176.58 4.9 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 120.792 2.296 . . . . 0.0 111.44 174.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -61.37 154.59 23.65 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 119.356 -2.09 . . . . 0.0 110.928 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.1 m -84.27 126.74 33.45 Favored 'General case' 0 C--O 1.26 1.627 0 CA-C-O 127.676 3.608 . . . . 0.0 113.968 169.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 14.6 pt -124.68 -179.29 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.843 0 CA-C-N 111.772 -2.467 . . . . 0.0 111.158 166.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -125.37 144.26 50.59 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 -173.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 69.6 m -140.97 155.54 68.81 Favored Pre-proline 0 CA--C 1.578 2.048 0 C-N-CA 126.6 1.96 . . . . 0.0 112.929 -160.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -74.7 -11.74 22.1 Favored 'Trans proline' 0 C--N 1.408 3.659 0 N-CA-C 117.589 2.111 . . . . 0.0 117.589 -170.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -136.49 40.24 2.62 Favored 'General case' 0 N--CA 1.504 2.25 0 C-N-CA 118.324 -1.351 . . . . 0.0 109.843 -174.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -128.21 -4.11 5.58 Favored 'General case' 0 CA--C 1.602 2.953 0 C-N-CA 129.781 3.232 . . . . 0.0 116.273 -159.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -50.1 -35.05 23.96 Favored 'General case' 0 C--O 1.185 -2.319 0 C-N-CA 128.937 2.895 . . . . 0.0 113.134 -164.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.2 p -64.11 -10.7 24.14 Favored 'General case' 0 C--N 1.385 2.134 1 O-C-N 129.211 4.069 . . . . 0.0 118.646 177.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -135.94 -18.28 1.6 Allowed 'General case' 0 C--N 1.381 1.965 0 CA-C-O 115.679 -2.105 . . . . 0.0 111.959 167.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.423 38.9 t-20 60.91 20.69 10.97 Favored 'General case' 0 CA--C 1.569 1.676 1 C-N-CA 131.882 4.073 . . . . 0.0 115.14 -177.944 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -135.75 130.09 33.58 Favored 'General case' 0 C--N 1.28 -2.453 0 C-N-CA 126.523 1.929 . . . . 0.0 110.815 -174.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 30.3 p -154.1 171.99 18.25 Favored 'General case' 0 CA--C 1.59 2.507 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 -178.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -148.15 143.57 27.19 Favored 'General case' 0 N--CA 1.507 2.398 0 O-C-N 118.893 -2.379 . . . . 0.0 108.211 -167.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -113.96 148.76 36.34 Favored 'General case' 0 C--N 1.385 2.149 0 C-N-CA 126.461 1.904 . . . . 0.0 108.65 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.3 p -71.16 143.11 50.64 Favored 'General case' 0 N--CA 1.501 2.111 0 CA-C-O 125.346 2.498 . . . . 0.0 112.772 -171.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.5 mtt-85 -63.99 -24.51 67.75 Favored 'General case' 0 C--O 1.25 1.1 0 CA-C-O 125.73 2.681 . . . . 0.0 116.079 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -140.36 174.34 10.61 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-O 112.438 -3.649 . . . . 0.0 113.45 -177.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -81.76 150.81 27.74 Favored 'General case' 0 C--O 1.266 1.958 0 O-C-N 127.7 3.125 . . . . 0.0 113.515 166.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 104' ' ' ARG . 3.3 m -119.65 153.49 54.33 Favored Pre-proline 0 C--O 1.274 2.392 0 O-C-N 127.193 2.808 . . . . 0.0 110.628 177.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -68.61 146.61 67.89 Favored 'Trans proline' 0 CA--C 1.557 1.674 0 N-CA-C 104.324 -2.991 . . . . 0.0 104.324 155.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.436 HD22 HG21 ' A' ' 132' ' ' THR . 2.8 pp -153.08 154.16 34.29 Favored 'General case' 0 C--O 1.255 1.374 0 O-C-N 119.876 -1.765 . . . . 0.0 111.533 173.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . 0.288 19.1 tp -108.36 110.68 22.31 Favored 'General case' 0 CA--C 1.485 -1.537 0 CA-C-N 112.13 -2.305 . . . . 0.0 110.328 170.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . 0.268 70.7 t60 -88.61 141.73 28.28 Favored 'General case' 0 C--O 1.2 -1.523 0 N-CA-C 102.655 -3.091 . . . . 0.0 102.655 162.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 84.9 m -113.66 154.57 27.02 Favored 'General case' 0 C--N 1.267 -2.992 0 C-N-CA 127.918 2.487 . . . . 0.0 111.983 171.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . 0.262 57.7 t0 -139.5 173.07 11.92 Favored 'General case' 0 N--CA 1.409 -2.521 0 C-N-CA 129.961 3.304 . . . . 0.0 112.238 -178.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.0 tp -128.9 124.86 36.29 Favored 'General case' 0 C--O 1.266 1.969 0 C-N-CA 131.409 3.884 . . . . 0.0 108.25 -172.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.271 29.3 pt -72.73 -16.94 18.18 Favored 'Isoleucine or valine' 0 C--N 1.376 1.75 0 N-CA-C 116.424 2.009 . . . . 0.0 116.424 -171.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -141.46 106.47 6.01 Favored Pre-proline 0 C--O 1.207 -1.155 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . 0.326 9.4 Cg_endo -53.98 -12.83 3.82 Favored 'Trans proline' 1 N--CA 1.551 4.858 1 C-N-CA 126.987 5.125 . . . . 0.0 116.596 167.992 . . . . . . . . 4 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -77.26 -37.35 32.19 Favored Glycine 0 C--O 1.249 1.045 0 O-C-N 125.016 1.448 . . . . 0.0 115.408 173.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -49.94 127.32 16.17 Favored 'General case' 0 C--O 1.271 2.217 0 O-C-N 128.66 3.212 . . . . 0.0 113.49 -177.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . 0.255 40.0 mt-30 -134.64 0.64 3.01 Favored 'General case' 0 N--CA 1.529 3.513 0 O-C-N 118.196 -2.815 . . . . 0.0 116.578 -176.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -131.99 136.27 47.16 Favored 'General case' 0 C--O 1.27 2.18 0 C-N-CA 128.58 2.752 . . . . 0.0 105.597 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 8.8 pt -55.61 -22.05 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.499 0 O-C-N 118.884 -2.385 . . . . 0.0 115.294 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.4 p -65.39 -14.02 59.95 Favored 'General case' 1 N--CA 1.561 5.122 0 C-N-CA 125.645 1.578 . . . . 0.0 114.006 172.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -125.24 -44.1 1.9 Allowed 'General case' 0 N--CA 1.427 -1.606 0 C-N-CA 129.52 3.128 . . . . 0.0 116.906 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 57.8 m -53.6 126.56 22.18 Favored 'General case' 1 C--O 1.311 4.33 1 O-C-N 129.388 4.18 . . . . 0.0 114.597 173.132 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 46.5 mtt180 -148.11 153.86 39.42 Favored 'General case' 0 C--N 1.37 1.469 0 CA-C-O 125.977 2.798 . . . . 0.0 105.116 -172.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.428 ' CD1' ' HG3' ' A' ' 27' ' ' MET . 55.3 m-85 -129.97 161.09 31.7 Favored 'General case' 0 N--CA 1.434 -1.275 0 CA-C-N 113.163 -1.835 . . . . 0.0 113.992 -155.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -140.25 146.47 38.65 Favored 'General case' 0 C--O 1.25 1.099 0 O-C-N 125.228 1.58 . . . . 0.0 112.721 -171.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.507 ' C ' ' HD2' ' A' ' 101' ' ' ARG . 7.1 m-20 -97.99 141.21 31.23 Favored 'General case' 0 CA--C 1.469 -2.141 0 CA-C-O 125.777 2.703 . . . . 0.0 110.39 -172.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.507 ' HD2' ' C ' ' A' ' 100' ' ' ASP . 2.7 mpt_? -144.72 73.86 15.08 Favored Pre-proline 0 N--CA 1.494 1.769 0 CA-C-N 111.213 -2.722 . . . . 0.0 113.663 175.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -57.32 159.08 16.69 Favored 'Trans proline' 0 CA--C 1.544 1.015 0 C-N-CA 124.016 3.144 . . . . 0.0 118.608 171.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -178.89 175.57 47.42 Favored Glycine 1 CA--C 1.61 5.971 0 N-CA-C 117.987 1.955 . . . . 0.0 117.987 172.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 78' ' ' VAL . 31.3 ttt180 -122.27 111.92 17.51 Favored 'General case' 0 C--O 1.281 2.721 0 O-C-N 126.978 2.222 . . . . 0.0 113.923 178.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 86.8 mtm-85 -158.13 163.63 37.41 Favored 'General case' 0 C--O 1.247 0.973 0 CA-C-O 116.219 -1.848 . . . . 0.0 114.736 -172.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -67.77 176.58 2.44 Favored 'General case' 0 CA--C 1.573 1.835 0 C-N-CA 125.943 1.697 . . . . 0.0 106.838 165.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -160.46 170.5 20.85 Favored 'General case' 0 N--CA 1.512 2.634 0 O-C-N 124.279 0.987 . . . . 0.0 109.261 -173.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 74.7 t -147.99 130.69 7.43 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.427 0 O-C-N 125.447 1.717 . . . . 0.0 106.742 -163.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.2 m -142.1 169.81 13.03 Favored 'Isoleucine or valine' 0 C--O 1.258 1.529 0 C-N-CA 126.192 1.797 . . . . 0.0 111.751 -172.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -126.81 145.12 50.75 Favored 'General case' 0 C--O 1.27 2.164 0 C-N-CA 127.723 2.409 . . . . 0.0 113.035 165.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 50.9 m -133.88 159.03 41.92 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 128.84 3.837 . . . . 0.0 119.519 -167.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -130.87 158.29 40.59 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 112.606 -2.088 . . . . 0.0 113.511 -175.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -75.56 149.91 38.22 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-O 115.853 -2.023 . . . . 0.0 108.301 178.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -45.29 136.67 5.13 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 119.673 3.212 . . . . 0.0 119.673 175.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -69.63 131.85 89.5 Favored Pre-proline 0 C--N 1.267 -3.016 0 O-C-N 124.496 1.123 . . . . 0.0 108.09 175.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -67.65 -8.23 21.72 Favored 'Trans proline' 0 N--CA 1.41 -3.411 0 N-CA-C 117.919 2.238 . . . . 0.0 117.919 175.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -133.51 10.35 4.04 Favored 'General case' 0 N--CA 1.507 2.392 0 C-N-CA 128.429 2.692 . . . . 0.0 112.63 -174.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -146.75 140.4 25.84 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 128.684 2.794 . . . . 0.0 116.933 172.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.0 m 46.86 59.09 16.66 Favored Pre-proline 0 N--CA 1.495 1.778 0 N-CA-C 118.432 2.753 . . . . 0.0 118.432 168.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -29.3 -22.19 0.0 OUTLIER 'Trans proline' 0 CA--C 1.564 2.015 1 N-CA-C 126.858 5.676 . . . . 0.0 126.858 170.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -73.86 -24.94 59.81 Favored 'General case' 0 C--O 1.199 -1.564 0 C-N-CA 126.799 2.04 . . . . 0.0 109.454 -161.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -120.1 102.82 45.84 Favored Pre-proline 0 CA--C 1.559 1.32 0 CA-C-O 116.633 -1.651 . . . . 0.0 111.961 -166.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . 0.251 36.0 Cg_exo -49.02 -25.91 9.57 Favored 'Trans proline' 0 N--CA 1.438 -1.737 1 C-N-CA 125.307 4.005 . . . . 0.0 118.817 174.427 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.7 m -147.84 153.51 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.714 1 N-CA-C 99.488 -4.264 . . . . 0.0 99.488 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 18.3 m -138.77 143.01 35.9 Favored Pre-proline 0 CA--C 1.59 2.51 0 C-N-CA 129.958 3.303 . . . . 0.0 106.989 -175.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.487 ' HD2' ' CZ ' ' A' ' 48' ' ' PHE . 88.9 Cg_endo -79.93 142.57 15.74 Favored 'Trans proline' 0 N--CA 1.426 -2.455 0 C-N-CA 123.216 2.611 . . . . 0.0 111.846 176.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 31.2 m -124.38 -12.08 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.221 0 N-CA-C 119.223 3.046 . . . . 0.0 119.223 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -164.4 152.45 12.4 Favored 'General case' 0 N--CA 1.509 2.508 0 C-N-CA 125.501 1.52 . . . . 0.0 111.467 -171.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 66.6 tp -120.51 131.5 54.74 Favored 'General case' 0 N--CA 1.505 2.286 0 C-N-CA 127.842 2.457 . . . . 0.0 112.466 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -97.57 -50.45 4.49 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 14.9 t -172.74 161.16 4.68 Favored 'General case' 0 C--O 1.248 1.009 0 CA-C-O 123.738 1.732 . . . . 0.0 108.51 -164.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.436 HG21 HD22 ' A' ' 80' ' ' LEU . 77.3 p -128.66 129.83 46.38 Favored 'General case' 0 N--CA 1.522 3.13 0 N-CA-C 101.514 -3.513 . . . . 0.0 101.514 175.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 112.931 -3.414 . . . . 0.0 115.426 -173.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo . . . . . 0 CA--C 1.549 1.235 0 N-CA-C 118.729 2.55 . . . . 0.0 118.729 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -52.47 -11.6 1.29 Allowed 'Trans proline' 0 C--N 1.392 2.855 0 O-C-N 127.764 3.507 . . . . 0.0 119.414 -176.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -141.35 -6.39 1.05 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 118.128 2.64 . . . . 0.0 118.128 174.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -128.15 164.64 22.04 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 120.864 -1.148 . . . . 0.0 112.959 -172.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 59.7 p -73.42 160.06 32.34 Favored 'General case' 1 N--CA 1.555 4.812 0 O-C-N 117.479 -3.263 . . . . 0.0 103.678 157.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -59.4 -28.56 67.02 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-O 115.211 -2.328 . . . . 0.0 113.12 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.47 -32.18 24.15 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 126.21 2.194 . . . . 0.0 113.104 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.17 -44.2 95.22 Favored 'General case' 0 C--O 1.274 2.349 0 O-C-N 118.952 -2.343 . . . . 0.0 108.018 168.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -60.02 -39.91 87.49 Favored 'General case' 0 C--O 1.18 -2.56 0 N-CA-C 119.474 3.139 . . . . 0.0 119.474 168.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -53.71 -46.35 70.73 Favored 'General case' 0 C--O 1.253 1.258 0 CA-C-O 127.297 3.427 . . . . 0.0 112.762 164.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.47 -36.28 63.31 Favored 'General case' 0 CA--C 1.566 1.564 0 O-C-N 117.183 -3.448 . . . . 0.0 112.085 -168.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.7 mt -68.94 -35.26 68.35 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.091 0 C-N-CA 118.121 -1.431 . . . . 0.0 112.162 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -67.01 -26.22 66.67 Favored 'General case' 0 CA--C 1.57 1.715 0 CA-C-O 114.694 -2.574 . . . . 0.0 114.348 174.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -150.8 -7.59 0.27 Allowed 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 117.659 2.466 . . . . 0.0 117.659 -161.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.401 HD12 HG21 ' A' ' 51' ' ' VAL . 32.0 mm -119.1 110.37 29.57 Favored 'Isoleucine or valine' 0 C--O 1.259 1.564 0 O-C-N 118.008 -2.932 . . . . 0.0 107.567 -174.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.2 m -150.86 124.08 8.84 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 120.146 -1.596 . . . . 0.0 112.601 155.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.6 tp -42.17 -36.49 1.2 Allowed 'General case' 0 C--N 1.385 2.152 0 N-CA-C 118.712 2.856 . . . . 0.0 118.712 169.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -142.25 80.53 14.87 Favored Pre-proline 0 C--O 1.188 -2.147 0 O-C-N 126.027 2.08 . . . . 0.0 111.483 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.45 170.58 19.6 Favored 'Trans proline' 0 CA--C 1.565 2.062 0 O-C-N 123.22 1.116 . . . . 0.0 112.209 -174.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -86.42 171.6 7.41 Favored 'Trans proline' 0 CA--C 1.567 2.153 0 C-N-CA 122.383 2.055 . . . . 0.0 110.513 176.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -49.93 138.32 15.44 Favored 'General case' 0 C--N 1.295 -1.803 0 CA-C-O 116.862 -1.542 . . . . 0.0 114.168 161.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 64.3 m -56.31 -29.41 61.2 Favored 'General case' 0 N--CA 1.527 3.406 0 O-C-N 125.846 1.966 . . . . 0.0 115.339 -169.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.8 p -45.1 -30.92 1.21 Allowed 'General case' 1 N--CA 1.539 4.022 0 N-CA-C 119.786 3.254 . . . . 0.0 119.786 166.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 30.8 mm -97.06 -45.81 12.78 Favored 'Isoleucine or valine' 1 C--O 1.142 -4.603 0 CA-C-O 126.622 3.106 . . . . 0.0 109.368 177.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.87 -41.55 58.15 Favored 'General case' 0 C--N 1.393 2.474 0 O-C-N 116.901 -3.624 . . . . 0.0 113.098 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 79.9 mmm -66.67 -18.44 65.37 Favored 'General case' 0 CA--C 1.572 1.812 1 CA-C-N 126.327 4.148 . . . . 0.0 110.702 -173.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -71.97 -29.58 64.4 Favored 'General case' 0 C--O 1.243 0.761 0 O-C-N 119.394 -2.066 . . . . 0.0 110.116 -163.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.3 -11.47 6.57 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 117.539 2.422 . . . . 0.0 117.539 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.8 pt -130.35 -36.73 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.261 0 C-N-CA 127.39 2.276 . . . . 0.0 112.182 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -73.23 -24.43 60.49 Favored 'General case' 0 C--N 1.379 1.871 0 O-C-N 118.362 -2.711 . . . . 0.0 111.776 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -97.3 14.34 26.41 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 126.487 1.915 . . . . 0.0 111.39 173.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -139.27 -6.17 1.4 Allowed 'General case' 1 N--CA 1.553 4.719 0 O-C-N 119.599 -1.938 . . . . 0.0 111.217 -168.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -140.15 168.2 20.36 Favored 'General case' 0 CA--C 1.591 2.552 0 O-C-N 119.344 -2.097 . . . . 0.0 108.667 -176.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.1 p-90 -55.02 -23.64 20.6 Favored 'General case' 0 CA--C 1.568 1.656 0 N-CA-C 116.454 2.02 . . . . 0.0 116.454 -167.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . 0.316 88.3 mtt180 -152.33 -179.7 7.78 Favored 'General case' 0 C--O 1.27 2.165 1 O-C-N 115.813 -4.304 . . . . 0.0 111.377 179.036 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 59.0 m -79.99 130.99 35.71 Favored 'General case' 0 CA--C 1.559 1.312 0 O-C-N 118.626 -2.547 . . . . 0.0 107.832 173.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -75.33 142.29 43.22 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 117.628 -3.17 . . . . 0.0 105.846 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -64.21 -54.46 33.21 Favored 'General case' 0 C--O 1.184 -2.38 0 CA-C-N 114.111 -1.404 . . . . 0.0 112.376 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -138.48 143.54 39.64 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 126.408 2.318 . . . . 0.0 111.428 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -141.77 172.74 12.28 Favored 'General case' 0 CA--C 1.492 -1.263 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 167.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . 0.301 1.6 m -139.78 145.21 37.92 Favored 'General case' 0 C--O 1.275 2.415 0 C-N-CA 128.45 2.7 . . . . 0.0 111.421 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -140.41 133.69 29.74 Favored 'General case' 0 C--O 1.28 2.683 0 CA-C-O 123.943 1.83 . . . . 0.0 113.555 166.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.5 mt -100.01 139.82 35.11 Favored 'General case' 0 C--N 1.378 1.838 0 O-C-N 117.105 -3.497 . . . . 0.0 109.465 -168.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -85.97 61.98 7.17 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 126.468 1.907 . . . . 0.0 107.827 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.8 t -152.67 161.0 43.15 Favored 'General case' 0 C--O 1.193 -1.892 0 CA-C-O 114.369 -2.729 . . . . 0.0 110.055 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.3 p -110.87 160.48 16.73 Favored 'General case' 0 N--CA 1.509 2.5 0 CA-C-O 127.939 3.733 . . . . 0.0 110.337 -163.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -61.83 -29.88 70.46 Favored 'General case' 0 C--O 1.261 1.685 0 O-C-N 118.19 -2.819 . . . . 0.0 112.629 -164.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.16 -25.68 59.87 Favored 'General case' 0 N--CA 1.434 -1.238 0 C-N-CA 126.119 1.768 . . . . 0.0 108.123 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -89.29 -20.29 24.27 Favored 'General case' 0 CA--C 1.557 1.25 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.401 HG21 HD12 ' A' ' 16' ' ' ILE . 59.8 t -82.25 -40.77 17.45 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.825 0 N-CA-C 104.024 -2.584 . . . . 0.0 104.024 175.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 25.3 t -57.37 -29.51 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 120.923 -1.111 . . . . 0.0 110.943 172.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -69.23 -26.02 64.6 Favored 'General case' 0 N--CA 1.508 2.466 0 O-C-N 120.096 -1.627 . . . . 0.0 113.795 170.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.2 t -78.41 -37.91 22.18 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 O-C-N 124.703 1.252 . . . . 0.0 112.787 168.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 63.1 m -59.54 5.17 0.03 OUTLIER 'General case' 0 CA--C 1.586 2.359 0 CA-C-O 125.407 2.527 . . . . 0.0 116.91 158.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -123.61 38.36 2.47 Favored Glycine 0 N--CA 1.476 1.314 0 N-CA-C 121.143 3.217 . . . . 0.0 121.143 161.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.262 44.6 t-20 -113.99 179.75 3.87 Favored 'General case' 0 N--CA 1.513 2.697 0 C-N-CA 117.295 -1.762 . . . . 0.0 107.739 169.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -56.74 148.34 20.63 Favored 'General case' 0 C--N 1.382 2.017 0 O-C-N 120.332 -1.48 . . . . 0.0 113.231 -178.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.6 m -79.84 117.37 20.66 Favored 'General case' 0 N--CA 1.405 -2.689 0 C-N-CA 127.582 2.353 . . . . 0.0 109.611 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 19.5 pt -119.0 176.32 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 130.655 3.582 . . . . 0.0 113.205 171.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.5 ptt-85 -107.48 149.36 28.05 Favored 'General case' 0 N--CA 1.51 2.571 1 O-C-N 116.278 -4.014 . . . . 0.0 113.263 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 92.3 m -144.29 150.12 47.2 Favored Pre-proline 0 CA--C 1.566 1.576 0 CA-C-N 120.016 1.28 . . . . 0.0 112.356 176.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -56.39 -24.02 49.88 Favored 'Trans proline' 0 C--O 1.216 -0.601 1 C-N-CA 127.617 5.545 . . . . 0.0 114.36 -161.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -122.84 37.56 4.38 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 -169.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -147.13 -8.66 0.45 Allowed 'General case' 0 C--N 1.369 1.441 0 O-C-N 119.92 -1.737 . . . . 0.0 112.499 -152.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 46.6 ptt85 -49.63 -19.96 0.7 Allowed 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 120.896 3.665 . . . . 0.0 120.896 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.3 p -58.07 -46.44 85.44 Favored 'General case' 0 C--N 1.286 -2.189 0 CA-C-N 122.257 2.299 . . . . 0.0 110.124 168.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -104.52 -17.97 14.53 Favored 'General case' 0 CA--C 1.563 1.446 0 CA-C-N 119.501 1.046 . . . . 0.0 110.435 176.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.2 t30 43.83 42.25 4.34 Favored 'General case' 0 C--N 1.392 2.451 0 C-N-CA 126.489 1.915 . . . . 0.0 115.592 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -141.78 103.82 4.42 Favored 'General case' 0 C--N 1.283 -2.303 0 O-C-N 126.502 2.377 . . . . 0.0 113.387 -173.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 24.7 p -125.74 175.36 7.67 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 118.79 -2.444 . . . . 0.0 109.401 174.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -145.84 162.51 37.54 Favored 'General case' 0 C--O 1.277 2.533 0 CA-C-O 115.758 -2.068 . . . . 0.0 112.66 175.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -119.63 153.14 35.97 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 126.648 1.979 . . . . 0.0 111.272 177.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.462 ' HB3' ' CE2' ' A' ' 107' ' ' TYR . 93.6 p -62.46 152.06 35.52 Favored 'General case' 0 C--O 1.26 1.654 0 C-N-CA 125.851 1.66 . . . . 0.0 114.358 175.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 66.1 mtt-85 -71.53 -9.17 57.79 Favored 'General case' 0 N--CA 1.525 3.29 0 N-CA-C 104.175 -2.528 . . . . 0.0 104.175 -175.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.449 ' HA ' ' CE2' ' A' ' 106' ' ' PHE . 0.3 OUTLIER -174.65 168.05 3.75 Favored 'General case' 0 N--CA 1.51 2.546 0 N-CA-C 115.525 1.676 . . . . 0.0 115.525 -155.857 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 64.5 mtm180 -74.33 145.75 43.64 Favored 'General case' 0 C--O 1.186 -2.242 0 O-C-N 118.727 -2.483 . . . . 0.0 112.31 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.7 m -121.21 141.57 33.3 Favored Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 118.041 -2.912 . . . . 0.0 114.557 164.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -67.83 134.61 32.85 Favored 'Trans proline' 0 C--O 1.282 2.712 0 CA-C-O 126.982 2.826 . . . . 0.0 109.698 159.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.1 pp -130.28 160.75 32.98 Favored 'General case' 0 CA--C 1.584 2.267 0 CA-C-N 111.168 -2.742 . . . . 0.0 114.381 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 tp -116.72 107.47 14.7 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 168.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -86.33 136.97 32.94 Favored 'General case' 0 CA--C 1.566 1.578 0 O-C-N 118.651 -2.53 . . . . 0.0 114.073 172.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 87.2 m -124.0 136.38 54.25 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 124.383 1.052 . . . . 0.0 110.995 -175.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -135.5 111.0 9.14 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 127.792 3.182 . . . . 0.0 111.152 -157.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.402 ' CD1' ' HB3' ' A' ' 96' ' ' CYS . 25.9 tp -75.73 86.63 2.76 Favored 'General case' 0 CA--C 1.574 1.869 0 C-N-CA 130.016 3.327 . . . . 0.0 106.839 173.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.307 13.4 pt -56.33 -0.26 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.516 2.825 0 C-N-CA 130.492 3.517 . . . . 0.0 119.069 -172.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -140.01 129.12 13.49 Favored Pre-proline 0 CA--C 1.612 3.36 0 N-CA-C 116.944 2.202 . . . . 0.0 116.944 -165.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -89.96 16.91 1.62 Allowed 'Trans proline' 0 CA--C 1.572 2.422 0 CA-C-O 115.313 -2.036 . . . . 0.0 115.406 -175.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -125.31 -13.47 3.52 Favored Glycine 0 C--O 1.19 -2.609 0 N-CA-C 108.713 -1.755 . . . . 0.0 108.713 173.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . 0.268 . . -57.99 143.43 43.19 Favored 'General case' 0 C--N 1.4 2.787 0 CA-C-N 119.796 1.798 . . . . 0.0 111.662 170.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -144.85 -23.3 0.51 Allowed 'General case' 0 C--N 1.305 -1.336 0 O-C-N 119.577 -1.952 . . . . 0.0 115.832 174.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -136.8 153.83 50.7 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 116.826 2.158 . . . . 0.0 116.826 174.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 27.7 pt -55.92 -21.01 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.623 0 C-N-CA 130.346 3.458 . . . . 0.0 114.497 -174.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.1 p -66.09 12.58 0.06 Allowed 'General case' 0 N--CA 1.496 1.828 0 CA-C-O 115.436 -2.221 . . . . 0.0 112.548 159.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -161.92 -39.48 0.04 OUTLIER 'General case' 0 C--N 1.281 -2.41 0 CA-C-N 123.032 2.651 . . . . 0.0 113.377 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.402 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 11.8 m -36.75 97.93 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 130.428 3.491 . . . . 0.0 113.266 165.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -83.18 163.93 20.49 Favored 'General case' 0 N--CA 1.528 3.461 0 C-N-CA 129.024 2.93 . . . . 0.0 108.261 162.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -144.18 151.87 40.1 Favored 'General case' 0 C--N 1.383 2.059 0 C-N-CA 125.592 1.557 . . . . 0.0 112.108 -169.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -135.6 143.95 45.87 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.907 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.64 143.69 49.68 Favored 'General case' 0 CA--C 1.58 2.131 0 C-N-CA 125.254 1.422 . . . . 0.0 111.956 175.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -137.65 89.58 15.36 Favored Pre-proline 0 CA--C 1.589 2.444 0 C-N-CA 127.668 2.387 . . . . 0.0 113.677 167.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -63.75 151.73 83.78 Favored 'Trans proline' 0 N--CA 1.491 1.367 1 C-N-CA 126.568 4.845 . . . . 0.0 110.538 174.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -163.73 174.81 39.95 Favored Glycine 0 N--CA 1.498 2.82 0 C-N-CA 130.652 3.977 . . . . 0.0 118.245 163.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -144.6 112.74 6.42 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 173.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 56.4 mtm-85 -148.49 176.03 10.65 Favored 'General case' 0 C--O 1.2 -1.511 0 C-N-CA 126.148 1.779 . . . . 0.0 112.783 -175.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.449 ' CE2' ' HA ' ' A' ' 76' ' ' PHE . 64.3 m-85 -85.61 175.42 8.78 Favored 'General case' 0 C--N 1.287 -2.111 0 O-C-N 118.115 -2.866 . . . . 0.0 110.295 164.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.462 ' CE2' ' HB3' ' A' ' 74' ' ' SER . 8.6 p90 -148.03 158.43 44.06 Favored 'General case' 0 C--O 1.285 2.95 0 O-C-N 125.64 1.837 . . . . 0.0 108.371 -173.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 23.2 t -132.25 126.15 55.36 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.053 0 O-C-N 127.083 2.74 . . . . 0.0 109.763 -170.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.7 m -127.75 176.67 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.059 0 N-CA-C 114.552 1.316 . . . . 0.0 114.552 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -136.66 151.65 49.53 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.256 -0.903 . . . . 0.0 110.088 169.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 22.2 m -134.13 -177.52 4.62 Favored 'General case' 0 C--O 1.273 2.333 0 C-N-CA 127.64 2.376 . . . . 0.0 114.223 -163.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -156.44 171.57 20.03 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 113.08 -1.873 . . . . 0.0 115.359 -175.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -73.33 142.54 47.08 Favored 'General case' 0 N--CA 1.517 2.895 0 C-N-CA 123.434 0.694 . . . . 0.0 110.78 173.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -45.13 148.84 0.54 Allowed 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 127.64 2.376 . . . . 0.0 115.883 173.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -67.98 137.9 92.4 Favored Pre-proline 0 C--O 1.258 1.543 0 N-CA-C 116.352 1.982 . . . . 0.0 116.352 169.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -69.21 -3.18 11.12 Favored 'Trans proline' 0 N--CA 1.404 -3.788 0 C-N-CA 122.332 2.021 . . . . 0.0 115.626 -172.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -145.75 10.78 1.22 Allowed 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 116.42 -1.753 . . . . 0.0 112.817 -172.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -135.59 129.02 32.26 Favored 'General case' 0 C--N 1.366 1.323 0 C-N-CA 125.82 1.648 . . . . 0.0 111.856 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 71.5 m 71.37 62.19 0.42 Allowed Pre-proline 0 N--CA 1.518 2.961 0 N-CA-C 121.083 3.735 . . . . 0.0 121.083 162.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -53.94 -12.83 3.77 Favored 'Trans proline' 0 CA--C 1.589 3.246 0 C-N-CA 124.55 3.5 . . . . 0.0 116.744 175.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -60.28 -23.51 64.21 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 116.761 -3.712 . . . . 0.0 116.878 178.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -138.37 128.66 15.16 Favored Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 118.89 -2.382 . . . . 0.0 114.087 -175.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.51 -27.1 23.32 Favored 'Trans proline' 0 C--N 1.372 1.801 0 C-N-CA 121.902 1.735 . . . . 0.0 115.606 -174.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 18.4 m -143.88 152.21 16.13 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.711 0 C-N-CA 128.417 2.687 . . . . 0.0 104.582 -178.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 3.2 m -133.15 147.17 64.1 Favored Pre-proline 0 C--O 1.271 2.214 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -72.58 149.76 49.95 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 O-C-N 124.499 1.789 . . . . 0.0 110.463 174.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 26.6 m -134.13 -12.67 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.453 0 N-CA-C 119.006 2.965 . . . . 0.0 119.006 175.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -151.37 160.17 43.9 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 125.613 1.565 . . . . 0.0 111.489 172.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 19.6 tp -126.28 107.84 10.71 Favored 'General case' 0 N--CA 1.506 2.331 0 C-N-CA 128.971 2.908 . . . . 0.0 107.573 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -82.86 -52.99 6.21 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 117.193 2.294 . . . . 0.0 117.193 -170.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.0 t -162.27 179.57 7.78 Favored 'General case' 0 CA--C 1.566 1.561 0 CA-C-N 112.887 -1.961 . . . . 0.0 113.839 -176.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 53.4 p -149.11 141.21 23.91 Favored 'General case' 0 C--O 1.253 1.284 1 C-N-CA 133.692 4.797 . . . . 0.0 111.08 -175.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.435 -1.223 1 C-N-CA 132.646 4.379 . . . . 0.0 118.849 -168.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo . . . . . 0 N--CA 1.431 -2.182 0 CA-C-O 117.693 -1.045 . . . . 0.0 111.328 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -56.06 -6.62 1.34 Allowed 'Trans proline' 0 CA--C 1.546 1.108 2 C-N-CA 126.794 4.996 . . . . 0.0 123.142 -171.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -162.6 16.92 0.08 Allowed 'General case' 0 N--CA 1.428 -1.573 0 O-C-N 126.539 2.399 . . . . 0.0 113.598 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -145.25 -169.29 3.17 Favored 'General case' 0 C--N 1.391 2.379 0 CA-C-O 122.664 1.221 . . . . 0.0 109.015 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.0 p -90.87 165.98 13.32 Favored 'General case' 0 N--CA 1.507 2.421 0 C-N-CA 127.438 2.295 . . . . 0.0 114.438 148.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -50.75 -46.49 59.32 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 167.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.79 -47.69 83.99 Favored 'General case' 0 CA--C 1.581 2.148 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.253 -174.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -71.64 -32.04 67.5 Favored 'General case' 0 C--O 1.259 1.591 0 CA-C-N 112.851 -1.977 . . . . 0.0 110.345 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 48.2 t-105 -75.82 -35.13 60.1 Favored 'General case' 0 CA--C 1.474 -1.955 0 CA-C-N 122.513 2.415 . . . . 0.0 114.0 175.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -45.0 -65.11 0.57 Allowed 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 116.845 -1.55 . . . . 0.0 110.361 154.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.23 83.02 Favored 'General case' 0 N--CA 1.39 -3.448 0 C-N-CA 124.282 1.033 . . . . 0.0 111.086 -168.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.2 mt -57.04 -29.15 30.73 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.501 0 C-N-CA 125.845 1.658 . . . . 0.0 112.885 173.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -92.17 -22.48 19.82 Favored 'General case' 0 C--O 1.281 2.726 0 CA-C-O 115.241 -2.314 . . . . 0.0 112.323 -176.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -138.26 -22.95 1.02 Allowed 'General case' 0 CA--C 1.594 2.656 0 N-CA-C 119.193 3.034 . . . . 0.0 119.193 -169.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . 0.372 49.8 mm -120.53 80.66 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.582 2.208 0 CA-C-N 120.521 1.509 . . . . 0.0 108.024 -159.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.2 m -130.15 112.87 13.81 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 125.254 1.422 . . . . 0.0 109.49 -170.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 tp -67.19 -26.24 66.53 Favored 'General case' 0 CA--C 1.571 1.755 0 CA-C-N 122.472 2.397 . . . . 0.0 117.128 -165.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -149.01 57.57 3.0 Favored Pre-proline 0 C--N 1.318 -0.786 0 O-C-N 118.792 -2.443 . . . . 0.0 116.298 177.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -56.71 169.84 1.61 Allowed 'Trans proline' 0 C--O 1.272 2.202 0 C-N-CA 122.916 2.411 . . . . 0.0 111.442 -170.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . 0.281 0.3 OUTLIER -71.96 179.53 4.77 Favored 'Trans proline' 0 CA--C 1.565 2.054 1 C-N-CA 130.171 7.247 . . . . 0.0 112.868 164.336 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -54.42 147.44 13.8 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 165.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.492 ' SG ' ' HA ' ' A' ' 100' ' ' ASP . 88.9 m -47.43 -30.69 3.51 Favored 'General case' 0 C--O 1.282 2.807 0 N-CA-C 119.493 3.146 . . . . 0.0 119.493 169.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 p -52.49 -46.17 66.47 Favored 'General case' 0 C--N 1.397 2.672 0 CA-C-N 119.745 1.157 . . . . 0.0 112.301 169.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.8 mm -83.79 -43.64 17.97 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.894 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 174.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.01 -32.68 74.52 Favored 'General case' 0 C--N 1.313 -0.992 0 O-C-N 118.478 -2.639 . . . . 0.0 117.824 -175.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 84.4 mmm -57.16 -29.71 63.85 Favored 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 163.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -61.79 -22.78 65.74 Favored 'General case' 0 C--N 1.376 1.749 0 CA-C-O 117.78 -1.105 . . . . 0.0 110.821 -177.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.67 -18.48 54.1 Favored 'General case' 0 N--CA 1.513 2.68 0 N-CA-C 115.018 1.488 . . . . 0.0 115.018 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.1 pt -127.63 -38.15 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 126.097 1.759 . . . . 0.0 111.016 175.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.274 48.7 m-20 -73.73 -20.49 60.5 Favored 'General case' 0 CA--C 1.493 -1.229 0 CA-C-O 115.372 -2.251 . . . . 0.0 111.68 -175.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -110.19 19.02 19.36 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 123.742 2.974 . . . . 0.0 109.647 172.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -120.53 -5.71 9.78 Favored 'General case' 0 C--O 1.272 2.263 0 C-N-CA 130.325 3.45 . . . . 0.0 115.943 169.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -134.41 162.99 30.7 Favored 'General case' 0 N--CA 1.511 2.61 0 C-N-CA 127.287 2.235 . . . . 0.0 112.855 175.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -57.39 -22.66 44.3 Favored 'General case' 1 C--O 1.308 4.157 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 -171.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -139.6 156.81 46.65 Favored 'General case' 0 C--O 1.259 1.592 0 C-N-CA 127.674 2.39 . . . . 0.0 113.497 -171.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.1 m -82.21 111.82 18.66 Favored 'General case' 0 C--N 1.362 1.139 0 CA-C-O 116.11 -1.9 . . . . 0.0 113.88 174.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.435 ' HE2' ' O ' ' A' ' 40' ' ' GLN . 78.7 tttt -54.94 135.5 48.38 Favored 'General case' 0 CA--C 1.484 -1.584 0 C-N-CA 125.23 1.412 . . . . 0.0 111.428 171.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -76.67 -32.95 58.27 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 129.856 3.262 . . . . 0.0 112.483 -175.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.435 ' O ' ' HE2' ' A' ' 38' ' ' LYS . 88.7 mm-40 -145.36 143.72 30.29 Favored 'General case' 0 CA--C 1.573 1.862 0 N-CA-C 104.458 -2.423 . . . . 0.0 104.458 -173.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.412 ' ND2' ' CE1' ' A' ' 43' ' ' PHE . 15.5 t30 -155.64 161.24 40.83 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.183 -1.573 . . . . 0.0 109.273 168.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -136.62 137.72 40.41 Favored 'General case' 0 C--O 1.267 1.988 0 CA-C-N 112.515 -2.13 . . . . 0.0 112.16 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.412 ' CE1' ' ND2' ' A' ' 41' ' ' ASN . 14.9 m-85 -131.08 143.13 50.44 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 128.228 2.611 . . . . 0.0 107.613 -172.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mp -134.44 137.87 44.33 Favored 'General case' 0 C--N 1.401 2.821 0 C-N-CA 117.361 -1.735 . . . . 0.0 108.608 -165.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -96.36 42.51 1.09 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.346 1.458 . . . . 0.0 114.21 -174.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 t -106.01 167.39 9.83 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 129.957 3.303 . . . . 0.0 110.262 165.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.3 p -95.79 160.71 14.34 Favored 'General case' 0 CA--C 1.583 2.235 0 CA-C-N 121.867 2.121 . . . . 0.0 110.142 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -54.76 -52.95 60.96 Favored 'General case' 0 C--N 1.388 2.259 0 CA-C-N 114.876 -1.057 . . . . 0.0 113.061 -176.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.55 -29.06 67.65 Favored 'General case' 0 C--N 1.388 2.259 0 O-C-N 118.696 -2.503 . . . . 0.0 115.019 176.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -62.0 -38.91 90.37 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 120.892 1.678 . . . . 0.0 114.893 164.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.1 t -71.98 -34.84 52.06 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.018 0 CA-C-O 116.888 -1.53 . . . . 0.0 111.52 171.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.6 t -67.06 -35.14 73.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 CA-C-N 121.68 2.036 . . . . 0.0 110.137 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -66.83 -28.95 68.77 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-O 111.703 -3.999 . . . . 0.0 114.234 164.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.79 -37.37 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.322 0 CA-C-N 123.434 2.834 . . . . 0.0 114.947 163.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 35.3 m -50.09 -28.79 7.72 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 119.381 -2.074 . . . . 0.0 115.504 165.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.21 17.18 59.59 Favored Glycine 0 C--N 1.373 2.62 0 CA-C-O 114.418 -3.434 . . . . 0.0 116.576 170.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -84.54 166.41 17.23 Favored 'General case' 0 CA--C 1.593 2.604 0 CA-C-O 125.11 2.386 . . . . 0.0 108.552 167.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -44.67 147.8 0.57 Allowed 'General case' 0 CA--C 1.551 1.013 0 O-C-N 118.809 -2.432 . . . . 0.0 115.872 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.5 m -102.09 142.69 32.97 Favored 'General case' 0 C--O 1.273 2.294 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 -167.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.5 pt -150.65 -179.03 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.582 2.2 0 CA-C-N 113.237 -1.801 . . . . 0.0 109.791 -171.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.9 ptt-85 -115.99 152.68 33.04 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 126.926 2.09 . . . . 0.0 114.438 176.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 83.5 m -147.11 153.95 45.78 Favored Pre-proline 0 C--N 1.409 3.167 0 CA-C-O 124.22 1.962 . . . . 0.0 109.346 -171.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -74.04 -8.94 21.72 Favored 'Trans proline' 0 CA--C 1.591 3.356 0 O-C-N 116.965 -2.176 . . . . 0.0 117.726 -165.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -120.25 37.05 4.35 Favored 'General case' 0 C--O 1.265 1.882 0 O-C-N 126.581 2.425 . . . . 0.0 114.471 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -140.66 0.42 1.63 Allowed 'General case' 0 C--O 1.263 1.793 0 O-C-N 118.599 -2.563 . . . . 0.0 111.795 -152.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -57.03 -37.06 71.22 Favored 'General case' 0 CA--C 1.597 2.772 0 N-CA-C 117.668 2.47 . . . . 0.0 117.668 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.2 p -41.96 -30.0 0.25 Allowed 'General case' 0 C--O 1.176 -2.766 0 C-N-CA 127.824 2.45 . . . . 0.0 116.554 175.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -134.51 5.3 3.44 Favored 'General case' 0 N--CA 1.519 2.988 0 O-C-N 126.426 2.329 . . . . 0.0 115.563 168.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 31.44 52.92 0.2 Allowed 'General case' 0 N--CA 1.536 3.872 1 C-N-CA 131.749 4.02 . . . . 0.0 113.209 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -159.65 125.82 4.34 Favored 'General case' 0 CA--C 1.595 2.696 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 15.7 p -138.58 176.69 8.47 Favored 'General case' 0 CA--C 1.57 1.739 0 O-C-N 126.499 2.374 . . . . 0.0 112.704 169.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -155.33 163.43 40.13 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-O 116.589 -1.672 . . . . 0.0 112.48 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -130.62 151.49 51.02 Favored 'General case' 1 N--CA 1.54 4.067 0 C-N-CA 129.207 3.003 . . . . 0.0 116.009 170.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.9 p -64.65 154.05 37.64 Favored 'General case' 0 N--CA 1.432 -1.366 0 N-CA-C 116.733 2.123 . . . . 0.0 116.733 -173.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -76.25 -21.66 56.07 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 -169.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -150.58 178.55 8.97 Favored 'General case' 0 N--CA 1.416 -2.142 0 C-N-CA 128.787 2.835 . . . . 0.0 115.49 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -84.12 155.09 22.79 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-O 122.318 1.056 . . . . 0.0 109.86 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.8 m -149.95 148.4 24.97 Favored Pre-proline 0 CA--C 1.563 1.463 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 171.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -54.02 146.69 46.55 Favored 'Trans proline' 0 N--CA 1.498 1.789 0 O-C-N 118.748 -1.238 . . . . 0.0 111.865 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 pp -155.52 -171.91 3.95 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 125.41 1.484 . . . . 0.0 111.558 176.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 102' ' ' PRO . 47.5 tp -144.55 135.7 25.22 Favored 'General case' 0 CA--C 1.602 2.965 0 O-C-N 128.292 3.495 . . . . 0.0 108.98 -178.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -122.08 150.55 41.99 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 127.398 2.279 . . . . 0.0 109.296 169.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 62.9 m -129.19 153.42 47.75 Favored 'General case' 0 C--O 1.183 -2.441 0 CA-C-N 119.913 1.233 . . . . 0.0 111.671 -172.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -139.37 125.66 20.18 Favored 'General case' 0 CA--C 1.57 1.732 0 CA-C-O 125.735 2.683 . . . . 0.0 109.443 -175.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.0 tp -72.31 94.31 1.59 Allowed 'General case' 0 CA--C 1.595 2.699 0 C-N-CA 129.434 3.093 . . . . 0.0 107.064 172.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 28.6 pt -58.35 -25.42 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 CA-C-O 112.923 -3.417 . . . . 0.0 110.219 -161.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -125.1 104.54 29.36 Favored Pre-proline 0 N--CA 1.415 -2.196 0 CA-C-N 123.377 2.808 . . . . 0.0 111.495 -156.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . 0.284 94.8 Cg_exo -37.8 -39.23 0.78 Allowed 'Trans proline' 0 C--O 1.273 2.257 1 C-N-CA 128.021 5.814 . . . . 0.0 117.81 177.42 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -75.25 -29.36 60.39 Favored Glycine 1 CA--C 1.617 6.445 0 N-CA-C 119.258 2.463 . . . . 0.0 119.258 -177.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . 0.334 . . -74.15 130.96 40.79 Favored 'General case' 0 C--O 1.252 1.185 0 C-N-CA 125.386 1.474 . . . . 0.0 109.391 -171.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -138.08 -21.56 1.08 Allowed 'General case' 0 N--CA 1.51 2.528 0 CA-C-O 115.104 -2.379 . . . . 0.0 114.319 171.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -93.82 133.15 37.52 Favored 'General case' 0 CA--C 1.572 1.801 0 CA-C-O 124.839 2.257 . . . . 0.0 110.961 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.1 pt -41.58 -29.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.38 1.898 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 176.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 84.9 p -65.47 -24.56 67.19 Favored 'General case' 0 C--O 1.27 2.177 0 CA-C-N 121.115 1.779 . . . . 0.0 113.204 178.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -115.14 -37.18 4.17 Favored 'General case' 0 N--CA 1.517 2.899 0 N-CA-C 105.432 -2.062 . . . . 0.0 105.432 -160.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 74.4 m -53.28 136.13 37.34 Favored 'General case' 0 CA--C 1.62 3.652 0 CA-C-O 122.396 1.093 . . . . 0.0 112.73 -174.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -136.3 158.22 44.94 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 105.364 -2.087 . . . . 0.0 105.364 173.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -152.03 149.0 28.37 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 128.156 3.41 . . . . 0.0 113.471 -156.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -141.62 142.34 33.44 Favored 'General case' 0 N--CA 1.411 -2.406 0 C-N-CA 127.062 2.145 . . . . 0.0 114.466 -174.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.492 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 3.1 m-20 -84.13 158.56 21.33 Favored 'General case' 0 C--O 1.267 2.0 0 O-C-N 119.856 -1.777 . . . . 0.0 110.374 -172.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -145.41 82.86 9.4 Favored Pre-proline 0 CA--C 1.495 -1.137 0 C-N-CA 128.24 2.616 . . . . 0.0 108.598 162.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 81' ' ' LEU . 29.7 Cg_exo -58.95 179.6 0.19 Allowed 'Trans proline' 0 N--CA 1.5 1.885 1 C-N-CA 125.395 4.063 . . . . 0.0 110.582 174.787 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 161.86 -170.13 37.47 Favored Glycine 0 N--CA 1.515 3.951 0 CA-C-O 116.231 -2.427 . . . . 0.0 113.441 172.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 66.3 ttt-85 -146.57 123.05 11.05 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 121.029 2.415 . . . . 0.0 112.498 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -156.04 161.43 40.43 Favored 'General case' 0 N--CA 1.531 3.614 0 CA-C-N 124.878 3.49 . . . . 0.0 111.661 -166.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -66.3 162.76 19.45 Favored 'General case' 0 CA--C 1.569 1.687 0 CA-C-N 120.997 1.726 . . . . 0.0 107.639 162.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -139.45 156.9 46.66 Favored 'General case' 0 N--CA 1.399 -2.983 0 O-C-N 118.299 -2.751 . . . . 0.0 109.911 -173.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.6 t -120.98 135.3 61.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 -175.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.1 m -140.1 168.9 16.86 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.86 0 O-C-N 118.079 -2.888 . . . . 0.0 109.63 -166.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -131.87 146.51 52.16 Favored 'General case' 0 CA--C 1.588 2.43 0 O-C-N 120.751 -1.218 . . . . 0.0 109.822 159.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 24.3 m -133.91 163.22 30.0 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-O 125.381 2.515 . . . . 0.0 109.275 -176.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -143.9 167.9 21.22 Favored 'General case' 0 N--CA 1.424 -1.766 0 O-C-N 119.899 -1.751 . . . . 0.0 113.368 175.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -58.79 142.57 49.86 Favored 'General case' 0 C--N 1.278 -2.506 0 C-N-CA 127.87 2.468 . . . . 0.0 114.989 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . 0.305 11.0 ptm180 -35.44 121.78 0.6 Allowed 'General case' 0 C--N 1.304 -1.383 0 O-C-N 127.403 2.939 . . . . 0.0 113.162 171.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -49.14 130.69 16.18 Favored Pre-proline 0 C--N 1.307 -1.261 0 C-N-CA 129.903 3.281 . . . . 0.0 111.364 166.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . 0.324 55.1 Cg_endo -61.49 -10.24 15.7 Favored 'Trans proline' 0 C--O 1.187 -2.051 0 C-N-CA 123.585 2.857 . . . . 0.0 117.037 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 59.1 mtm180 -134.85 8.68 3.54 Favored 'General case' 0 CA--C 1.563 1.453 0 O-C-N 117.768 -3.083 . . . . 0.0 114.982 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . 0.277 33.3 t70 -139.22 156.05 47.36 Favored 'General case' 0 N--CA 1.513 2.699 0 N-CA-C 119.543 3.164 . . . . 0.0 119.543 177.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 38.0 m 33.81 58.87 1.89 Allowed Pre-proline 0 CA--C 1.563 1.445 0 C-N-CA 128.692 2.797 . . . . 0.0 117.795 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -49.47 -22.49 6.27 Favored 'Trans proline' 1 N--CA 1.575 6.321 0 CA-C-N 122.301 1.857 . . . . 0.0 111.7 174.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.466 ' NE ' ' HA ' ' A' ' 121' ' ' ARG 0.269 2.3 tpm_? -62.73 -17.86 61.58 Favored 'General case' 0 CA--C 1.559 1.321 0 C-N-CA 127.975 2.51 . . . . 0.0 112.796 177.529 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -125.72 92.28 46.76 Favored Pre-proline 0 C--N 1.287 -2.145 0 C-N-CA 129.046 2.939 . . . . 0.0 116.655 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . 0.285 71.8 Cg_endo -65.93 -19.92 58.06 Favored 'Trans proline' 0 CA--C 1.586 3.098 1 C-N-CA 126.148 4.566 . . . . 0.0 113.126 -169.83 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 1.5 m -136.34 151.82 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.715 0 CA-C-N 111.632 -2.531 . . . . 0.0 105.978 175.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 9.7 m -150.42 143.75 16.77 Favored Pre-proline 0 N--CA 1.394 -3.246 0 CA-C-O 115.183 -2.342 . . . . 0.0 113.382 -172.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -72.14 152.14 56.08 Favored 'Trans proline' 0 N--CA 1.425 -2.513 0 C-N-CA 124.001 3.134 . . . . 0.0 109.348 -174.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 26.7 m -128.46 -11.78 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.533 3.688 0 C-N-CA 125.408 1.483 . . . . 0.0 110.792 174.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -167.25 172.21 10.06 Favored 'General case' 0 CA--C 1.58 2.121 0 O-C-N 116.386 -3.946 . . . . 0.0 110.595 -167.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.7 tp -147.37 122.58 10.21 Favored 'General case' 0 C--O 1.208 -1.114 0 C-N-CA 129.457 3.103 . . . . 0.0 108.097 175.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -113.49 -26.75 8.16 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 119.531 3.16 . . . . 0.0 119.531 -167.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.5 t -174.37 176.63 2.38 Favored 'General case' 0 CA--C 1.495 -1.173 0 C-N-CA 126.666 1.987 . . . . 0.0 112.778 171.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 43.1 p -143.19 146.99 34.18 Favored 'General case' 0 CA--C 1.596 2.748 0 CA-C-O 114.502 -2.666 . . . . 0.0 113.971 174.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.254 1.332 0 CA-C-O 116.046 -1.931 . . . . 0.0 113.834 -168.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo . . . . . 0 C--O 1.273 2.243 0 N-CA-C 109.242 -1.099 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.35 68.2 Cg_exo -36.35 -34.1 0.15 Allowed 'Trans proline' 0 N--CA 1.417 -2.99 0 C-N-CA 123.681 2.921 . . . . 0.0 119.167 175.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -143.17 15.96 1.89 Allowed 'General case' 0 C--O 1.187 -2.2 0 O-C-N 118.627 -2.546 . . . . 0.0 115.953 -173.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -139.26 166.27 24.99 Favored 'General case' 0 C--O 1.194 -1.848 0 CA-C-O 126.358 2.98 . . . . 0.0 110.659 -169.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.3 p -80.63 164.88 22.54 Favored 'General case' 0 C--N 1.407 3.085 1 O-C-N 116.262 -4.024 . . . . 0.0 109.152 148.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -62.27 -31.98 72.63 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 174.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.48 -28.44 31.18 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 119.958 -1.714 . . . . 0.0 111.588 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -63.62 -38.3 90.6 Favored 'General case' 0 C--N 1.385 2.116 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 160.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -60.26 -48.18 82.84 Favored 'General case' 0 CA--C 1.575 1.908 0 O-C-N 118.181 -2.824 . . . . 0.0 112.187 172.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -52.62 -41.63 63.87 Favored 'General case' 0 CA--C 1.561 1.374 0 CA-C-O 116.488 -1.72 . . . . 0.0 111.463 174.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.79 -49.06 64.41 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-O 114.367 -2.73 . . . . 0.0 104.743 -177.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.5 mt -59.82 -46.51 93.61 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 CA-C-O 126.287 2.946 . . . . 0.0 116.113 -161.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -65.9 -37.98 87.51 Favored 'General case' 0 N--CA 1.411 -2.395 0 CA-C-N 112.531 -2.122 . . . . 0.0 116.083 175.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -133.58 -4.93 2.91 Favored 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 119.595 3.184 . . . . 0.0 119.595 -156.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.6 mm -125.81 108.13 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 C-N-CA 124.911 1.284 . . . . 0.0 111.866 174.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.8 m -149.02 129.34 13.76 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.086 2.155 . . . . 0.0 109.41 172.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 tp -73.17 -41.4 63.92 Favored 'General case' 0 N--CA 1.504 2.248 0 C-N-CA 128.111 2.564 . . . . 0.0 113.559 -176.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.5 p-10 -140.84 52.37 3.05 Favored Pre-proline 0 CA--C 1.578 2.032 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -173.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -69.1 165.53 29.91 Favored 'Trans proline' 0 N--CA 1.503 2.076 0 C-N-CA 122.331 2.021 . . . . 0.0 113.815 -161.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -79.23 -177.8 4.15 Favored 'Trans proline' 0 C--O 1.257 1.461 0 C-N-CA 124.148 3.232 . . . . 0.0 107.858 167.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.1 mtt-85 -63.92 155.4 30.9 Favored 'General case' 1 N--CA 1.545 4.306 0 C-N-CA 125.245 1.418 . . . . 0.0 113.909 176.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 73.2 m -58.2 -32.3 68.15 Favored 'General case' 0 N--CA 1.428 -1.575 0 O-C-N 116.614 -3.803 . . . . 0.0 119.685 -176.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.5 p -40.76 -26.83 0.04 OUTLIER 'General case' 0 N--CA 1.505 2.28 0 N-CA-C 119.194 3.035 . . . . 0.0 119.194 159.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 23.4 mm -109.74 -47.74 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.303 0 CA-C-N 118.82 0.736 . . . . 0.0 110.275 170.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.56 -43.23 45.88 Favored 'General case' 0 CA--C 1.562 1.411 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -176.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 10.2 mmm -65.13 -22.3 66.91 Favored 'General case' 0 N--CA 1.509 2.519 0 O-C-N 121.66 -0.65 . . . . 0.0 110.155 -176.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -63.73 -22.53 66.95 Favored 'General case' 0 C--N 1.38 1.901 0 CA-C-O 117.605 -1.188 . . . . 0.0 112.6 -174.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.55 -27.26 64.39 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 176.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.441 ' H ' HD13 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -111.32 -25.31 3.57 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.303 0 N-CA-C 119.471 3.138 . . . . 0.0 119.471 160.249 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -83.0 -23.63 33.23 Favored 'General case' 0 CA--C 1.588 2.432 0 O-C-N 118.464 -2.647 . . . . 0.0 115.404 -174.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -100.92 22.74 11.67 Favored 'General case' 0 C--O 1.196 -1.743 0 CA-C-N 114.724 -1.125 . . . . 0.0 113.435 166.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -136.72 -59.57 0.71 Allowed 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 114.621 -2.609 . . . . 0.0 107.368 -169.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -65.02 163.27 15.04 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 122.27 2.305 . . . . 0.0 111.779 172.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -69.28 -7.86 40.77 Favored 'General case' 0 CA--C 1.579 2.086 0 C-N-CA 128.535 2.734 . . . . 0.0 113.024 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -147.96 146.31 28.92 Favored 'General case' 0 CA--C 1.596 2.749 0 C-N-CA 126.295 1.838 . . . . 0.0 110.653 -170.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 88.2 m -65.94 127.19 31.07 Favored 'General case' 0 N--CA 1.502 2.158 0 CA-C-O 124.698 2.19 . . . . 0.0 111.521 167.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -75.61 132.78 40.86 Favored 'General case' 0 N--CA 1.516 2.872 0 C-N-CA 127.575 2.35 . . . . 0.0 111.272 172.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -72.25 -53.79 11.48 Favored 'General case' 0 C--N 1.373 1.609 0 CA-C-N 112.836 -1.984 . . . . 0.0 108.232 -168.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -128.13 152.69 47.71 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-O 116.373 -1.775 . . . . 0.0 115.315 -175.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -157.61 155.51 30.26 Favored 'General case' 0 C--O 1.269 2.09 0 CA-C-N 125.13 3.604 . . . . 0.0 111.592 170.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.2 m -126.65 141.65 51.79 Favored 'General case' 0 N--CA 1.506 2.364 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -178.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.427 ' HE1' ' SG ' ' A' ' 83' ' ' CYS . 94.7 m-85 -133.77 125.55 28.75 Favored 'General case' 0 C--O 1.195 -1.795 0 CA-C-O 117.261 -1.352 . . . . 0.0 109.59 -172.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.1 mt -103.74 135.43 45.3 Favored 'General case' 0 N--CA 1.424 -1.727 0 CA-C-O 115.776 -2.059 . . . . 0.0 108.959 -166.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . 0.314 63.8 mtp180 -82.1 64.73 6.91 Favored 'General case' 0 N--CA 1.511 2.578 0 C-N-CA 128.898 2.879 . . . . 0.0 109.749 174.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.7 t -133.7 -165.63 1.66 Allowed 'General case' 0 C--N 1.371 1.514 0 C-N-CA 126.36 1.864 . . . . 0.0 109.771 170.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.6 p -140.44 145.52 37.09 Favored 'General case' 0 CA--C 1.607 3.172 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -51.13 -45.96 61.79 Favored 'General case' 0 CA--C 1.481 -1.703 0 CA-C-O 117.115 -1.422 . . . . 0.0 111.385 -175.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.8 1.08 1.45 Allowed 'General case' 0 N--CA 1.414 -2.273 0 O-C-N 125.973 2.046 . . . . 0.0 112.146 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -119.04 -6.93 10.44 Favored 'General case' 0 N--CA 1.431 -1.4 0 CA-C-O 124.797 2.237 . . . . 0.0 115.426 172.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.6 t -84.66 -28.07 6.81 Favored 'Isoleucine or valine' 0 C--N 1.388 2.272 0 C-N-CA 130.655 3.582 . . . . 0.0 111.732 169.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.2 t -55.96 -35.05 39.48 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.197 0 O-C-N 118.176 -2.828 . . . . 0.0 112.045 173.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -68.13 -25.11 65.12 Favored 'General case' 0 N--CA 1.507 2.409 0 O-C-N 127.811 3.194 . . . . 0.0 117.619 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.1 t -67.69 -30.92 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.382 0 O-C-N 117.226 -3.421 . . . . 0.0 114.94 174.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 72.6 m -65.79 -31.75 72.89 Favored 'General case' 0 C--O 1.208 -1.08 0 CA-C-O 115.619 -2.134 . . . . 0.0 106.088 175.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.02 -13.69 45.23 Favored Glycine 0 C--N 1.38 3.004 0 CA-C-O 127.006 3.559 . . . . 0.0 112.698 -168.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -55.07 173.06 0.1 Allowed 'General case' 0 C--N 1.301 -1.513 0 O-C-N 117.396 -3.414 . . . . 0.0 111.056 163.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -51.97 142.85 14.85 Favored 'General case' 0 N--CA 1.512 2.657 1 O-C-N 116.068 -4.145 . . . . 0.0 117.003 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.6 m -82.02 143.71 31.38 Favored 'General case' 0 N--CA 1.495 1.786 1 O-C-N 113.878 -5.514 . . . . 0.0 114.517 -178.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . 0.269 7.3 pt -137.06 -174.5 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.204 -1.333 0 C-N-CA 131.216 3.807 . . . . 0.0 109.966 177.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.2 ptt-85 -131.84 141.73 49.51 Favored 'General case' 0 N--CA 1.478 0.942 1 C-N-CA 131.711 4.004 . . . . 0.0 116.056 173.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 76.7 m -128.35 155.53 78.31 Favored Pre-proline 0 N--CA 1.392 -3.35 0 C-N-CA 128.893 2.877 . . . . 0.0 115.824 -174.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -91.29 18.19 1.27 Allowed 'Trans proline' 0 CA--C 1.547 1.128 0 O-C-N 124.902 2.001 . . . . 0.0 112.931 -162.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -140.08 39.75 1.95 Allowed 'General case' 0 N--CA 1.508 2.454 0 C-N-CA 124.877 1.271 . . . . 0.0 109.014 -177.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -154.15 12.42 0.42 Allowed 'General case' 0 N--CA 1.519 2.984 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -160.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -51.42 -18.58 1.08 Allowed 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 115.706 1.743 . . . . 0.0 115.706 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.9 p -56.12 -24.45 40.7 Favored 'General case' 0 N--CA 1.51 2.568 0 CA-C-O 125.31 2.481 . . . . 0.0 117.423 171.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -154.7 -10.67 0.13 Allowed 'General case' 0 C--O 1.245 0.863 0 O-C-N 119.772 -1.83 . . . . 0.0 114.468 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 58.8 t30 54.89 47.12 22.98 Favored 'General case' 0 CA--C 1.492 -1.276 0 O-C-N 118.843 -2.411 . . . . 0.0 116.135 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -155.66 120.95 4.86 Favored 'General case' 0 C--O 1.253 1.281 0 O-C-N 117.645 -3.159 . . . . 0.0 108.586 175.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 24.6 p -138.23 -175.61 4.17 Favored 'General case' 0 CA--C 1.621 3.704 0 C-N-CA 129.48 3.112 . . . . 0.0 105.723 174.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -157.45 172.97 17.62 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 125.573 1.549 . . . . 0.0 108.663 -170.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -149.28 157.2 43.15 Favored 'General case' 0 CA--C 1.57 1.715 0 O-C-N 118.245 -2.784 . . . . 0.0 115.483 178.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 27.6 p -70.64 153.52 42.77 Favored 'General case' 0 CA--C 1.49 -1.346 0 C-N-CA 126.019 1.727 . . . . 0.0 113.864 -171.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.9 mtt-85 -86.68 -13.25 46.0 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 118.93 -2.356 . . . . 0.0 111.606 -175.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -164.78 170.71 15.15 Favored 'General case' 0 CA--C 1.58 2.11 0 C-N-CA 126.383 1.873 . . . . 0.0 114.623 -170.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -88.44 143.7 26.83 Favored 'General case' 0 CA--C 1.498 -1.045 0 C-N-CA 125.322 1.449 . . . . 0.0 110.904 -169.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.9 m -127.88 144.99 53.39 Favored Pre-proline 0 N--CA 1.519 3.021 0 C-N-CA 130.055 3.342 . . . . 0.0 110.329 173.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -57.05 144.14 90.76 Favored 'Trans proline' 0 N--CA 1.441 -1.595 1 C-N-CA 126.353 4.702 . . . . 0.0 109.474 162.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -134.22 173.62 11.4 Favored 'General case' 0 C--O 1.272 2.264 1 C-N-CA 134.108 4.963 . . . . 0.0 113.457 175.773 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.8 tp -128.77 154.38 46.44 Favored 'General case' 0 N--CA 1.509 2.479 0 C-N-CA 125.787 1.635 . . . . 0.0 107.355 157.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -136.14 139.25 42.77 Favored 'General case' 0 C--O 1.257 1.493 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 167.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.427 ' SG ' ' HE1' ' A' ' 43' ' ' PHE . 69.3 m -109.5 148.73 30.7 Favored 'General case' 0 CA--C 1.491 -1.308 0 C-N-CA 125.792 1.637 . . . . 0.0 111.059 -173.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -144.94 88.88 1.92 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 127.0 2.12 . . . . 0.0 110.325 -159.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 17.7 tp -61.74 108.91 1.08 Allowed 'General case' 0 CA--C 1.577 2.001 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 177.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.5 pt -59.65 -9.83 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.581 2.146 0 N-CA-C 117.737 2.495 . . . . 0.0 117.737 -177.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -127.35 122.5 22.91 Favored Pre-proline 0 CA--C 1.592 2.585 0 O-C-N 119.246 -2.159 . . . . 0.0 110.52 -171.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -65.83 -13.69 41.03 Favored 'Trans proline' 0 C--O 1.196 -1.583 1 C-N-CA 125.45 4.1 . . . . 0.0 112.805 172.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -108.63 -25.55 5.68 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 126.208 1.861 . . . . 0.0 115.049 -167.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.02 128.16 34.79 Favored 'General case' 0 CA--C 1.573 1.863 0 C-N-CA 118.971 -1.092 . . . . 0.0 109.61 -174.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -138.82 -2.66 1.7 Allowed 'General case' 0 C--O 1.262 1.736 0 C-N-CA 125.183 1.393 . . . . 0.0 108.847 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -114.4 134.27 55.11 Favored 'General case' 0 C--O 1.284 2.905 0 N-CA-C 116.644 2.091 . . . . 0.0 116.644 164.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 37.2 pt -63.42 -10.44 6.59 Favored 'Isoleucine or valine' 0 C--O 1.273 2.316 0 C-N-CA 124.135 0.974 . . . . 0.0 112.178 -168.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.3 p -48.59 -31.09 6.08 Favored 'General case' 0 CA--C 1.467 -2.246 0 N-CA-C 117.561 2.43 . . . . 0.0 117.561 162.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -139.48 -20.64 0.93 Allowed 'General case' 0 CA--C 1.574 1.903 0 CA-C-O 116.457 -1.735 . . . . 0.0 113.291 -164.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 4.2 m -70.93 120.65 16.81 Favored 'General case' 0 C--O 1.27 2.15 0 O-C-N 125.518 1.761 . . . . 0.0 111.628 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.2 mtt-85 -128.04 165.22 20.73 Favored 'General case' 0 C--O 1.257 1.494 0 C-N-CA 126.805 2.042 . . . . 0.0 111.025 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -144.55 162.11 37.41 Favored 'General case' 0 CA--C 1.586 2.341 0 CA-C-O 123.882 1.801 . . . . 0.0 107.999 -156.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.04 157.9 36.74 Favored 'General case' 0 C--N 1.385 2.118 0 CA-C-N 112.016 -2.356 . . . . 0.0 116.072 163.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -112.8 106.61 14.98 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-O 126.467 3.032 . . . . 0.0 105.918 -163.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -103.8 88.56 1.91 Allowed Pre-proline 0 N--CA 1.534 3.768 0 O-C-N 117.559 -3.213 . . . . 0.0 113.226 172.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -46.99 173.37 0.03 OUTLIER 'Trans proline' 0 CA--C 1.586 3.123 0 C-N-CA 123.366 2.711 . . . . 0.0 116.575 165.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 177.58 -173.01 45.77 Favored Glycine 1 CA--C 1.581 4.159 0 O-C-N 120.066 -1.646 . . . . 0.0 112.125 156.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 56.7 ttt-85 -140.26 103.27 4.55 Favored 'General case' 0 C--N 1.4 2.784 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 -176.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 86.7 mtm-85 -151.43 150.08 30.01 Favored 'General case' 0 N--CA 1.509 2.524 0 N-CA-C 116.327 1.973 . . . . 0.0 116.327 -166.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -62.27 168.64 3.3 Favored 'General case' 0 N--CA 1.499 1.98 0 CA-C-N 112.871 -1.968 . . . . 0.0 109.244 169.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -151.15 154.45 36.93 Favored 'General case' 0 C--O 1.21 -1.0 0 O-C-N 120.399 -1.438 . . . . 0.0 112.893 -177.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.49 132.27 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.184 0 N-CA-C 105.793 -1.929 . . . . 0.0 105.793 -165.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.7 m -148.96 157.88 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 CA-C-O 124.542 2.115 . . . . 0.0 108.348 -164.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -123.47 162.76 22.21 Favored 'General case' 0 C--N 1.373 1.617 0 O-C-N 119.144 -2.223 . . . . 0.0 110.551 167.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 10.6 m -134.95 -179.66 5.75 Favored 'General case' 0 CA--C 1.587 2.402 0 CA-C-N 113.094 -1.867 . . . . 0.0 112.959 -162.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -144.13 164.12 31.59 Favored 'General case' 0 C--O 1.208 -1.127 0 C-N-CA 131.147 3.779 . . . . 0.0 113.454 -176.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -62.11 146.94 49.04 Favored 'General case' 0 C--O 1.262 1.711 0 C-N-CA 125.287 1.435 . . . . 0.0 107.435 169.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -45.06 141.67 2.2 Favored 'General case' 0 N--CA 1.503 2.197 0 CA-C-N 122.199 2.272 . . . . 0.0 112.723 163.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -63.68 152.66 85.74 Favored Pre-proline 0 C--O 1.263 1.779 0 C-N-CA 125.512 1.525 . . . . 0.0 110.696 -171.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -47.97 -27.1 8.3 Favored 'Trans proline' 0 CA--C 1.559 1.766 0 C-N-CA 124.007 3.138 . . . . 0.0 116.118 168.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 61.3 mtm180 -147.97 -32.61 0.26 Allowed 'General case' 0 N--CA 1.531 3.617 0 N-CA-C 119.397 3.11 . . . . 0.0 119.397 168.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -65.02 159.49 23.02 Favored 'General case' 0 N--CA 1.514 2.754 0 CA-C-N 121.869 2.122 . . . . 0.0 116.201 -177.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 48.9 m 40.63 49.91 3.46 Favored Pre-proline 0 C--N 1.369 1.437 0 N-CA-C 118.877 2.917 . . . . 0.0 118.877 170.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -73.14 -10.84 24.79 Favored 'Trans proline' 0 C--N 1.321 -0.919 0 N-CA-C 118.827 2.587 . . . . 0.0 118.827 -169.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -42.47 -28.99 0.25 Allowed 'General case' 0 CA--C 1.475 -1.922 0 CA-C-O 114.727 -2.558 . . . . 0.0 112.742 158.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -124.08 134.62 25.56 Favored Pre-proline 0 N--CA 1.516 2.857 0 CA-C-N 124.05 3.114 . . . . 0.0 112.535 -174.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -73.74 -11.72 24.07 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 O-C-N 127.874 3.565 . . . . 0.0 115.939 -176.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.2 m -141.94 163.42 19.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.771 1 C-N-CA 132.544 4.338 . . . . 0.0 109.041 -174.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 10.0 m -136.56 147.95 61.78 Favored Pre-proline 0 N--CA 1.509 2.519 0 CA-C-O 116.7 -1.619 . . . . 0.0 113.814 156.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -84.44 135.75 6.22 Favored 'Trans proline' 0 CA--C 1.573 2.435 1 C-N-CA 125.559 4.173 . . . . 0.0 108.31 168.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 18.0 m -146.03 6.37 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.265 1.903 1 O-C-N 129.146 4.029 . . . . 0.0 118.57 -163.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -163.26 136.95 5.84 Favored 'General case' 0 CA--C 1.569 1.693 1 O-C-N 115.013 -4.805 . . . . 0.0 109.141 172.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 57.8 tp -84.59 140.56 31.3 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 128.453 2.701 . . . . 0.0 112.078 169.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . 0.267 23.0 t70 -113.83 -54.48 2.6 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 176.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 14.1 t -165.22 175.68 9.06 Favored 'General case' 0 CA--C 1.593 2.632 0 O-C-N 123.973 0.796 . . . . 0.0 110.62 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 49.6 p -131.8 146.93 52.42 Favored 'General case' 0 CA--C 1.58 2.133 0 C-N-CA 126.772 2.029 . . . . 0.0 109.712 163.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.518 2.929 0 N-CA-C 119.355 3.094 . . . . 0.0 119.355 -175.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo . . . . . 0 CA--C 1.536 0.578 0 CA-C-O 124.287 1.703 . . . . 0.0 112.624 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -42.97 -11.22 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.384 1 C-N-CA 127.806 5.671 . . . . 0.0 119.764 -175.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -163.86 5.01 0.04 OUTLIER 'General case' 0 C--O 1.263 1.77 0 O-C-N 118.151 -2.843 . . . . 0.0 114.87 -174.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -147.4 164.21 34.04 Favored 'General case' 0 N--CA 1.504 2.239 0 CA-C-O 123.983 1.849 . . . . 0.0 109.172 178.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.7 p -67.56 167.25 13.29 Favored 'General case' 0 CA--C 1.571 1.775 0 O-C-N 120.234 -1.541 . . . . 0.0 110.23 164.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -78.01 -30.55 50.08 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 117.513 -3.242 . . . . 0.0 105.245 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.43 -42.56 78.28 Favored 'General case' 0 N--CA 1.42 -1.975 0 C-N-CA 127.194 2.198 . . . . 0.0 110.469 171.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -73.42 -44.14 58.97 Favored 'General case' 0 CA--C 1.586 2.328 0 C-N-CA 125.468 1.507 . . . . 0.0 109.851 176.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -69.87 -41.82 74.3 Favored 'General case' 0 N--CA 1.483 1.185 1 O-C-N 116.119 -4.113 . . . . 0.0 114.453 -173.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -53.05 -48.05 67.96 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-O 123.367 1.556 . . . . 0.0 112.842 168.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . 0.257 . . -58.42 -59.01 6.01 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-O 114.843 -2.503 . . . . 0.0 113.76 170.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.82 -16.01 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.279 0 CA-C-N 121.327 1.876 . . . . 0.0 112.407 -177.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -90.95 -14.16 32.1 Favored 'General case' 0 C--N 1.377 1.778 0 C-N-CA 115.958 -2.297 . . . . 0.0 113.163 174.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -169.05 -5.21 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.232 0 CA-C-N 124.832 3.469 . . . . 0.0 115.707 -145.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.424 HG23 HG23 ' A' ' 46' ' ' THR . 16.7 mm -127.72 99.51 5.3 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.842 0 CA-C-N 124.196 3.18 . . . . 0.0 110.877 -178.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -147.57 105.95 3.78 Favored 'General case' 0 C--O 1.208 -1.118 0 O-C-N 118.068 -2.895 . . . . 0.0 108.219 -170.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.1 tp -50.46 -42.06 53.82 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 129.385 3.074 . . . . 0.0 115.223 -174.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . 0.318 44.6 p-10 -147.85 54.64 1.93 Allowed Pre-proline 0 C--O 1.195 -1.816 0 CA-C-N 119.421 1.01 . . . . 0.0 108.36 -162.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -68.67 167.87 21.63 Favored 'Trans proline' 0 N--CA 1.506 2.255 1 C-N-CA 125.776 4.318 . . . . 0.0 114.576 -157.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -85.91 -166.07 0.31 Allowed 'Trans proline' 0 C--O 1.253 1.252 0 C-N-CA 122.626 2.217 . . . . 0.0 113.141 176.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.4 mtt-85 -68.1 147.72 51.94 Favored 'General case' 0 N--CA 1.417 -2.125 0 C-N-CA 124.759 1.224 . . . . 0.0 110.659 171.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 79.0 m -52.25 -23.06 5.07 Favored 'General case' 0 N--CA 1.507 2.41 0 N-CA-C 119.284 3.068 . . . . 0.0 119.284 168.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.5 p -50.4 -37.81 39.58 Favored 'General case' 0 C--N 1.307 -1.247 0 C-N-CA 125.637 1.575 . . . . 0.0 113.144 163.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.6 mm -99.73 -53.57 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.295 0 N-CA-C 105.67 -1.974 . . . . 0.0 105.67 -172.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . 0.269 . . -66.71 -33.73 76.29 Favored 'General case' 0 CA--C 1.602 2.947 0 C-N-CA 124.543 1.137 . . . . 0.0 113.552 -169.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.7 mmm -71.06 -14.54 62.36 Favored 'General case' 0 N--CA 1.533 3.702 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 176.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -58.08 -34.05 69.74 Favored 'General case' 0 N--CA 1.507 2.42 0 N-CA-C 105.789 -1.93 . . . . 0.0 105.789 177.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.294 . . -57.15 -15.1 4.84 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 126.165 1.786 . . . . 0.0 114.506 -173.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.75 -30.16 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 CA-C-N 120.994 1.724 . . . . 0.0 108.549 167.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -86.46 -22.01 26.72 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-O 126.418 3.009 . . . . 0.0 117.208 -168.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -88.48 -7.75 56.02 Favored 'General case' 0 CA--C 1.581 2.146 0 O-C-N 116.681 -3.762 . . . . 0.0 108.509 171.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -111.57 -19.12 12.64 Favored 'General case' 0 N--CA 1.527 3.397 0 C-N-CA 130.28 3.432 . . . . 0.0 115.335 -169.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -118.21 153.16 34.34 Favored 'General case' 0 C--O 1.252 1.237 0 CA-C-O 124.591 2.139 . . . . 0.0 113.266 170.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -65.06 -3.38 3.56 Favored 'General case' 0 N--CA 1.51 2.544 0 N-CA-C 120.005 3.335 . . . . 0.0 120.005 -170.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -145.98 168.28 21.25 Favored 'General case' 0 C--N 1.368 1.405 0 CA-C-O 125.483 2.563 . . . . 0.0 111.479 158.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 76.9 m -61.9 112.7 2.42 Favored 'General case' 0 N--CA 1.511 2.611 0 O-C-N 117.496 -3.253 . . . . 0.0 112.55 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -62.15 122.28 15.19 Favored 'General case' 0 CA--C 1.597 2.782 0 CA-C-O 114.971 -2.442 . . . . 0.0 112.424 165.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -55.59 -32.6 63.2 Favored 'General case' 0 N--CA 1.414 -2.268 0 N-CA-C 118.652 2.834 . . . . 0.0 118.652 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -147.09 154.17 40.82 Favored 'General case' 0 C--N 1.381 1.944 0 N-CA-C 117.154 2.279 . . . . 0.0 117.154 171.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -163.43 170.95 16.67 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 118.624 -1.231 . . . . 0.0 112.331 164.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 75.9 m -136.59 151.63 49.57 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-O 122.748 1.261 . . . . 0.0 110.273 -173.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -132.44 119.93 21.3 Favored 'General case' 0 CA--C 1.488 -1.442 0 CA-C-N 109.837 -3.347 . . . . 0.0 111.771 -178.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.4 mt -95.52 124.9 39.77 Favored 'General case' 0 C--O 1.197 -1.666 0 N-CA-C 105.444 -2.058 . . . . 0.0 105.444 -167.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -76.96 74.31 3.55 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-O 117.384 -1.293 . . . . 0.0 110.301 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.424 HG23 HG23 ' A' ' 16' ' ' ILE . 14.1 t -149.2 -173.53 4.4 Favored 'General case' 0 N--CA 1.515 2.798 0 C-N-CA 128.515 2.726 . . . . 0.0 111.478 -175.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 34.5 p -137.07 133.29 35.25 Favored 'General case' 0 C--O 1.272 2.238 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -49.92 -36.31 27.11 Favored 'General case' 0 C--O 1.248 0.997 0 O-C-N 118.017 -2.927 . . . . 0.0 115.741 -162.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.4 -27.32 62.28 Favored 'General case' 0 N--CA 1.537 3.908 0 CA-C-O 115.487 -2.197 . . . . 0.0 116.291 174.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -62.32 -43.57 98.51 Favored 'General case' 0 N--CA 1.404 -2.728 0 O-C-N 126.935 2.647 . . . . 0.0 111.016 166.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.2 t -61.36 -32.42 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.537 3.913 0 CA-C-O 116.86 -1.543 . . . . 0.0 110.28 174.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.7 t -69.24 -35.11 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.808 0 CA-C-O 113.523 -3.132 . . . . 0.0 114.86 169.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -63.32 -30.71 71.79 Favored 'General case' 0 C--O 1.191 -2.023 0 C-N-CA 115.059 -2.657 . . . . 0.0 111.8 167.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 32.5 t -67.28 -27.94 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.593 0 O-C-N 119.365 -2.084 . . . . 0.0 111.153 175.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . 0.286 28.5 m -61.41 -8.45 4.07 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 127.373 2.269 . . . . 0.0 113.681 165.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -112.17 -20.11 6.85 Favored Glycine 0 CA--C 1.459 -3.412 0 CA-C-O 116.851 -2.083 . . . . 0.0 116.855 165.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -52.14 163.65 0.36 Allowed 'General case' 0 CA--C 1.59 2.514 0 CA-C-N 120.147 1.973 . . . . 0.0 114.034 165.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -57.66 158.46 6.08 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 -160.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 74.1 m -89.29 131.33 35.43 Favored 'General case' 0 CA--C 1.575 1.913 0 CA-C-O 123.345 1.545 . . . . 0.0 107.674 -176.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.9 pt -133.78 177.4 7.09 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.774 0 C-N-CA 130.326 3.45 . . . . 0.0 109.03 172.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -122.61 142.6 50.46 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 119.002 -2.311 . . . . 0.0 111.789 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 89.9 m -131.07 147.27 65.61 Favored Pre-proline 0 CA--C 1.561 1.369 0 N-CA-C 108.174 -1.046 . . . . 0.0 108.174 -164.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -67.39 -2.24 7.89 Favored 'Trans proline' 0 C--N 1.299 -2.046 1 C-N-CA 128.566 6.177 . . . . 0.0 117.038 -171.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -135.6 34.54 2.95 Favored 'General case' 0 C--O 1.294 3.414 0 C-N-CA 126.285 1.834 . . . . 0.0 109.879 -169.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.276 9.4 t-20 -131.97 16.3 4.69 Favored 'General case' 0 C--O 1.277 2.531 0 CA-C-O 115.354 -2.26 . . . . 0.0 114.562 -156.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 -51.77 -11.54 0.15 Allowed 'General case' 0 N--CA 1.497 1.905 0 C-N-CA 128.021 2.528 . . . . 0.0 114.921 175.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.5 p -72.75 -22.95 60.78 Favored 'General case' 0 C--O 1.244 0.779 0 O-C-N 125.24 1.587 . . . . 0.0 109.696 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -155.54 -20.56 0.11 Allowed 'General case' 0 CA--C 1.575 1.929 0 N-CA-C 119.634 3.198 . . . . 0.0 119.634 -178.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.353 11.6 t-20 76.72 10.58 2.72 Favored 'General case' 1 N--CA 1.561 5.116 0 CA-C-N 113.784 -1.553 . . . . 0.0 115.121 177.972 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -131.62 145.48 51.71 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 125.963 1.705 . . . . 0.0 107.309 -177.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . 0.268 22.8 p -151.23 -179.34 7.26 Favored 'General case' 0 C--O 1.202 -1.438 1 C-N-CA 132.714 4.406 . . . . 0.0 107.657 170.942 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -150.89 165.8 32.53 Favored 'General case' 0 CA--C 1.588 2.411 1 CA-C-N 105.816 -5.175 . . . . 0.0 115.036 -177.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -145.85 145.36 30.72 Favored 'General case' 0 N--CA 1.531 3.577 0 C-N-CA 130.257 3.423 . . . . 0.0 112.206 -174.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.2 p -57.09 140.28 49.78 Favored 'General case' 1 C--N 1.237 -4.31 0 C-N-CA 126.111 1.765 . . . . 0.0 112.798 -175.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -52.69 -40.27 62.76 Favored 'General case' 0 CA--C 1.557 1.248 0 O-C-N 128.658 3.724 . . . . 0.0 113.94 168.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -139.63 159.46 42.11 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.191 -1.568 . . . . 0.0 109.754 -174.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 73.6 mtm180 -65.51 161.43 20.14 Favored 'General case' 0 N--CA 1.426 -1.662 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 173.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.3 m -133.46 145.14 55.2 Favored Pre-proline 0 C--N 1.359 0.993 0 CA-C-N 114.237 -1.347 . . . . 0.0 114.483 161.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -40.25 153.55 0.06 OUTLIER 'Trans proline' 0 C--O 1.205 -1.134 0 O-C-N 115.919 -2.727 . . . . 0.0 111.042 153.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.74 179.07 9.56 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 117.332 2.345 . . . . 0.0 117.332 171.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.8 tp -134.18 104.64 6.28 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 124.313 1.045 . . . . 0.0 112.267 178.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -75.44 154.01 37.31 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 117.174 -1.393 . . . . 0.0 112.147 163.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 60.5 m -142.83 147.61 35.71 Favored 'General case' 0 CA--C 1.475 -1.929 0 C-N-CA 125.096 1.359 . . . . 0.0 109.452 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -156.64 123.52 5.18 Favored 'General case' 0 C--N 1.315 -0.904 0 O-C-N 125.108 1.505 . . . . 0.0 110.532 -153.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.9 tp -73.59 103.47 4.21 Favored 'General case' 0 CA--C 1.578 2.042 0 O-C-N 127.872 3.233 . . . . 0.0 111.023 177.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.366 32.1 pt -74.04 32.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.266 1.968 0 C-N-CA 128.381 2.672 . . . . 0.0 112.493 174.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -148.02 106.39 3.65 Favored Pre-proline 0 C--O 1.256 1.402 0 CA-C-O 115.13 -2.367 . . . . 0.0 111.031 169.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -77.2 19.81 0.69 Allowed 'Trans proline' 0 CA--C 1.561 1.875 0 O-C-N 125.486 2.308 . . . . 0.0 115.631 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -136.14 -13.13 1.05 Allowed Glycine 0 N--CA 1.418 -2.515 1 CA-C-O 111.308 -5.162 . . . . 0.0 112.327 164.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.14 149.03 29.23 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 123.246 3.523 . . . . 0.0 112.588 170.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -143.84 -8.37 0.72 Allowed 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 175.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -122.61 137.51 54.87 Favored 'General case' 0 N--CA 1.499 2.0 0 C-N-CA 130.101 3.361 . . . . 0.0 110.31 -174.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 38.0 pt -63.72 -18.79 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.329 0 O-C-N 116.394 -3.941 . . . . 0.0 113.185 -171.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 64.5 p -56.29 -18.08 9.55 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 118.025 2.602 . . . . 0.0 118.025 160.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -132.52 -13.14 3.01 Favored 'General case' 0 C--N 1.382 2.015 0 N-CA-C 116.307 1.966 . . . . 0.0 116.307 -177.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 72.4 m -74.15 108.16 6.78 Favored 'General case' 0 CA--C 1.565 1.545 0 CA-C-N 111.642 -2.526 . . . . 0.0 109.808 178.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -117.81 146.65 43.7 Favored 'General case' 0 C--O 1.193 -1.87 0 CA-C-N 112.97 -1.923 . . . . 0.0 109.082 -179.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -128.68 162.11 28.12 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 119.392 -2.067 . . . . 0.0 109.052 -163.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -129.17 139.44 51.9 Favored 'General case' 0 C--O 1.248 0.993 0 C-N-CA 127.247 2.219 . . . . 0.0 108.463 169.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . 0.294 1.6 m-20 -66.1 111.66 3.5 Favored 'General case' 0 C--N 1.288 -2.067 0 C-N-CA 129.58 3.152 . . . . 0.0 110.78 158.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -109.27 99.95 38.76 Favored Pre-proline 0 CA--C 1.558 1.276 0 C-N-CA 127.074 2.15 . . . . 0.0 107.788 162.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -71.88 171.9 15.64 Favored 'Trans proline' 0 C--O 1.292 3.203 1 C-N-CA 125.47 4.113 . . . . 0.0 113.819 176.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -175.96 -173.08 41.33 Favored Glycine 0 N--CA 1.512 3.755 1 C-N-CA 130.87 4.081 . . . . 0.0 114.79 174.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -157.67 115.25 3.04 Favored 'General case' 0 C--N 1.403 2.907 0 CA-C-O 113.451 -3.166 . . . . 0.0 106.595 175.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 85.5 mtm-85 -150.2 148.39 28.86 Favored 'General case' 0 CA--C 1.569 1.708 1 O-C-N 131.406 5.441 . . . . 0.0 107.074 -168.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -65.48 164.67 13.49 Favored 'General case' 0 N--CA 1.502 2.168 0 C-N-CA 124.91 1.284 . . . . 0.0 108.415 156.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -151.67 151.63 31.72 Favored 'General case' 0 N--CA 1.52 3.049 0 O-C-N 120.037 -1.664 . . . . 0.0 112.118 -170.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 39.6 t -128.22 125.38 64.17 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.286 0 O-C-N 125.013 1.446 . . . . 0.0 110.476 -160.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.6 m -132.64 170.5 19.84 Favored 'Isoleucine or valine' 0 C--O 1.275 2.423 0 O-C-N 120.862 -1.149 . . . . 0.0 108.315 -171.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -122.08 159.42 27.14 Favored 'General case' 0 N--CA 1.512 2.639 0 CA-C-O 122.664 1.221 . . . . 0.0 109.071 159.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 22.4 m -134.84 151.91 51.31 Favored 'General case' 0 N--CA 1.436 -1.145 0 O-C-N 119.457 -2.027 . . . . 0.0 112.304 -173.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -118.26 170.49 8.85 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 120.873 -1.142 . . . . 0.0 112.432 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -57.98 144.71 38.56 Favored 'General case' 0 N--CA 1.401 -2.884 0 C-N-CA 128.256 2.622 . . . . 0.0 111.337 167.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -39.83 150.25 0.05 Allowed 'General case' 0 N--CA 1.52 3.074 0 CA-C-N 113.557 -1.656 . . . . 0.0 114.447 170.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -72.35 143.62 85.81 Favored Pre-proline 0 N--CA 1.524 3.241 0 CA-C-O 114.852 -2.499 . . . . 0.0 108.019 175.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -47.05 -28.3 7.19 Favored 'Trans proline' 0 N--CA 1.428 -2.341 0 C-N-CA 124.702 3.601 . . . . 0.0 113.237 175.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 34.7 mtm105 -133.47 -37.88 0.94 Allowed 'General case' 0 N--CA 1.513 2.692 0 O-C-N 119.522 -1.986 . . . . 0.0 111.135 -166.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.6 158.81 15.29 Favored 'General case' 0 CA--C 1.574 1.873 0 CA-C-O 124.752 2.215 . . . . 0.0 106.674 -161.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.9 m 42.46 67.62 3.31 Favored Pre-proline 0 C--O 1.293 3.361 0 N-CA-C 116.632 2.086 . . . . 0.0 116.632 175.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -76.16 -2.96 13.23 Favored 'Trans proline' 0 CA--C 1.58 2.79 0 N-CA-C 119.195 2.729 . . . . 0.0 119.195 -169.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . 0.288 23.7 ttm180 -73.6 -14.37 61.17 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.01 -1.681 . . . . 0.0 114.575 174.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 11.0 m-30 -114.63 132.17 23.02 Favored Pre-proline 0 N--CA 1.42 -1.954 0 C-N-CA 127.337 2.255 . . . . 0.0 106.97 -173.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -85.78 -30.58 0.42 Allowed 'Trans proline' 0 N--CA 1.417 -3.003 0 C-N-CA 124.809 3.673 . . . . 0.0 112.645 166.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.44 145.3 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 CA-C-O 116.491 -1.719 . . . . 0.0 107.799 175.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 19.4 m -133.92 149.15 70.94 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 127.789 3.181 . . . . 0.0 118.261 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -79.41 144.53 18.08 Favored 'Trans proline' 0 C--O 1.28 2.625 0 C-N-CA 124.413 3.409 . . . . 0.0 108.156 -171.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 16.1 m -138.08 -32.18 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.268 2.079 0 C-N-CA 126.754 2.022 . . . . 0.0 114.453 -165.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -144.04 162.53 35.98 Favored 'General case' 0 C--N 1.294 -1.82 0 C-N-CA 125.47 1.508 . . . . 0.0 109.762 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 19.9 tp -137.02 130.58 31.61 Favored 'General case' 0 C--O 1.196 -1.735 0 CA-C-O 112.039 -3.838 . . . . 0.0 106.87 -176.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.75 -46.15 3.16 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 123.001 2.637 . . . . 0.0 114.606 -170.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.0 t -148.06 171.01 16.52 Favored 'General case' 0 CA--C 1.598 2.79 0 O-C-N 124.548 1.155 . . . . 0.0 109.006 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 33.5 p -137.03 138.86 40.93 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 103.181 -2.896 . . . . 0.0 103.181 167.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.502 2.171 0 C-N-CA 125.104 1.362 . . . . 0.0 114.516 -173.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo . . . . . 0 CA--C 1.592 3.411 0 CA-C-O 122.788 1.078 . . . . 0.0 112.577 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 0.0 OUTLIER -47.89 -44.25 27.71 Favored 'Trans proline' 0 N--CA 1.503 2.055 0 C-N-CA 125.167 3.912 . . . . 0.0 116.873 -144.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -131.22 14.6 5.12 Favored 'General case' 0 CA--C 1.567 1.633 0 CA-C-O 113.019 -3.372 . . . . 0.0 117.784 175.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -139.95 163.8 31.69 Favored 'General case' 0 C--N 1.308 -1.232 1 O-C-N 129.3 4.125 . . . . 0.0 110.485 -165.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . 0.265 3.0 p -75.41 152.5 38.0 Favored 'General case' 0 N--CA 1.533 3.705 0 O-C-N 119.438 -2.039 . . . . 0.0 112.763 153.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -58.87 -37.01 75.57 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 117.333 -1.318 . . . . 0.0 113.214 -175.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . 0.298 . . -54.27 -53.78 49.01 Favored 'General case' 0 C--N 1.365 1.242 0 O-C-N 126.958 2.661 . . . . 0.0 115.216 166.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -56.81 -58.02 9.94 Favored 'General case' 0 CA--C 1.444 -3.113 0 CA-C-O 124.391 2.043 . . . . 0.0 114.725 175.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.268 4.8 t-105 -46.37 -28.42 1.34 Allowed 'General case' 0 C--N 1.416 3.464 0 O-C-N 118.174 -2.829 . . . . 0.0 115.398 168.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.429 ' CE2' ' HB2' ' A' ' 126' ' ' PRO . 35.9 t80 -76.19 -36.72 58.54 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 126.372 1.869 . . . . 0.0 110.561 175.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.06 -34.32 24.25 Favored 'General case' 0 N--CA 1.416 -2.131 0 O-C-N 125.66 1.85 . . . . 0.0 109.749 -170.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.5 mt -60.1 -38.46 77.02 Favored 'Isoleucine or valine' 0 C--N 1.359 1.004 0 C-N-CA 127.468 2.307 . . . . 0.0 114.65 170.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -85.95 -19.46 30.42 Favored 'General case' 0 CA--C 1.578 2.032 0 CA-C-O 115.13 -2.367 . . . . 0.0 109.634 -176.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -147.18 -14.21 0.41 Allowed 'General case' 0 CA--C 1.588 2.44 0 CA-C-N 124.319 3.236 . . . . 0.0 115.649 -164.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 46.2 mm -133.41 112.61 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 1 O-C-N 114.711 -4.993 . . . . 0.0 110.402 -163.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.8 m -155.57 108.75 2.74 Favored 'General case' 0 CA--C 1.475 -1.936 0 N-CA-C 101.861 -3.385 . . . . 0.0 101.861 -170.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.5 tp -41.35 -59.0 1.68 Allowed 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 122.202 2.273 . . . . 0.0 113.299 164.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -131.91 76.88 73.13 Favored Pre-proline 0 N--CA 1.489 1.494 1 O-C-N 129.578 4.299 . . . . 0.0 110.6 -175.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -59.43 156.88 33.7 Favored 'Trans proline' 0 C--N 1.379 2.179 1 C-N-CA 127.719 5.613 . . . . 0.0 112.62 176.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -77.73 172.57 15.5 Favored 'Trans proline' 0 C--N 1.352 0.717 0 CA-C-N 121.108 1.432 . . . . 0.0 113.598 156.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -41.42 136.03 1.87 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 126.903 2.627 . . . . 0.0 112.336 168.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 83.5 m -44.18 -35.7 2.34 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-O 113.902 -2.951 . . . . 0.0 112.314 174.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.6 p -52.63 -28.43 21.36 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 122.778 2.535 . . . . 0.0 112.069 172.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.5 mm -94.52 -43.97 13.27 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.143 0 C-N-CA 127.978 2.511 . . . . 0.0 112.673 178.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.81 -20.32 59.82 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 122.371 1.082 . . . . 0.0 113.399 -162.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 68.0 mmm -84.27 -19.13 34.36 Favored 'General case' 0 CA--C 1.499 -1.004 0 C-N-CA 125.78 1.632 . . . . 0.0 109.025 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -72.86 -20.12 61.17 Favored 'General case' 0 C--N 1.371 1.53 0 O-C-N 119.201 -2.187 . . . . 0.0 106.34 -176.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.53 -31.33 6.33 Favored 'General case' 0 C--O 1.201 -1.456 0 CA-C-O 117.523 -1.227 . . . . 0.0 113.228 165.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.3 pt -128.52 -39.47 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.225 0 CA-C-N 122.132 2.242 . . . . 0.0 112.578 -173.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.299 2.4 m-20 -63.91 -29.34 70.52 Favored 'General case' 0 N--CA 1.427 -1.593 0 O-C-N 118.549 -2.594 . . . . 0.0 117.116 171.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -108.83 45.65 1.02 Allowed 'General case' 0 C--O 1.203 -1.378 0 O-C-N 125.852 1.97 . . . . 0.0 108.712 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -156.25 -30.24 0.09 Allowed 'General case' 1 CA--C 1.632 4.132 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -91.0 161.92 14.94 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 128.533 2.733 . . . . 0.0 110.23 165.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 25.3 p-90 -66.37 -21.5 66.23 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 -172.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -145.97 175.95 10.06 Favored 'General case' 0 N--CA 1.528 3.459 0 CA-C-O 124.684 2.183 . . . . 0.0 107.798 176.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 38.9 m -85.75 125.93 33.6 Favored 'General case' 0 CA--C 1.565 1.553 0 CA-C-O 113.641 -3.076 . . . . 0.0 111.842 -168.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -64.09 127.79 32.98 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-N 122.242 2.292 . . . . 0.0 111.942 162.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -59.79 -51.63 68.91 Favored 'General case' 0 CA--C 1.585 2.308 0 C-N-CA 126.351 1.86 . . . . 0.0 111.934 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -134.46 151.07 50.92 Favored 'General case' 0 C--O 1.256 1.429 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.309 -173.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -148.35 171.04 16.64 Favored 'General case' 0 CA--C 1.591 2.556 0 O-C-N 124.782 1.301 . . . . 0.0 110.634 165.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.7 m -139.13 136.5 35.2 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 126.075 1.75 . . . . 0.0 113.927 168.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -114.77 131.16 56.88 Favored 'General case' 0 CA--C 1.58 2.113 0 N-CA-C 104.717 -2.327 . . . . 0.0 104.717 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.5 mt -87.32 131.28 34.31 Favored 'General case' 0 N--CA 1.504 2.23 0 C-N-CA 129.42 3.088 . . . . 0.0 109.129 170.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . 0.343 15.2 mtp180 -78.63 64.59 3.69 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 130.076 3.35 . . . . 0.0 113.145 173.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.347 12.9 t -147.88 179.49 7.68 Favored 'General case' 0 C--O 1.186 -2.26 0 C-N-CA 130.454 3.502 . . . . 0.0 115.468 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.0 p -109.51 146.93 33.78 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 128.828 2.851 . . . . 0.0 113.732 -175.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -57.64 -37.11 72.76 Favored 'General case' 0 C--N 1.384 2.073 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 -174.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.93 -29.16 64.92 Favored 'General case' 0 N--CA 1.398 -3.055 0 N-CA-C 116.535 2.05 . . . . 0.0 116.535 173.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -90.18 -23.5 21.29 Favored 'General case' 0 C--O 1.278 2.558 0 O-C-N 119.742 -1.849 . . . . 0.0 108.731 -175.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.7 t -71.5 -27.55 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.331 0 CA-C-N 122.19 2.268 . . . . 0.0 110.385 163.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.419 HG21 ' CD1' ' A' ' 122' ' ' TYR . 6.1 t -64.14 -23.56 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 O-C-N 116.713 -3.742 . . . . 0.0 116.269 164.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -65.55 -35.49 81.01 Favored 'General case' 0 N--CA 1.413 -2.312 0 CA-C-O 117.37 -1.3 . . . . 0.0 112.027 166.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 73' ' ' ARG . 65.0 t -79.63 -23.75 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.742 0 C-N-CA 127.476 2.31 . . . . 0.0 116.322 -172.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.6 m -55.74 -28.79 57.71 Favored 'General case' 0 N--CA 1.517 2.911 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 154.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.8 -5.24 57.65 Favored Glycine 0 C--O 1.25 1.142 0 O-C-N 127.841 3.213 . . . . 0.0 114.496 -173.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -83.77 147.46 27.59 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 130.542 3.537 . . . . 0.0 108.441 170.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -45.69 124.03 4.8 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 116.689 2.107 . . . . 0.0 116.689 -166.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 m -57.19 134.45 55.91 Favored 'General case' 0 C--O 1.255 1.346 0 O-C-N 119.329 -2.107 . . . . 0.0 116.267 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.2 pt -132.44 172.29 16.64 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.29 1 C-N-CA 131.958 4.103 . . . . 0.0 113.021 -178.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.65 144.14 26.96 Favored 'General case' 0 CA--C 1.483 -1.606 0 C-N-CA 128.701 2.8 . . . . 0.0 117.663 167.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 89.3 m -141.96 158.38 62.16 Favored Pre-proline 0 N--CA 1.509 2.504 0 CA-C-O 117.277 -1.344 . . . . 0.0 114.313 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -88.47 16.28 1.9 Allowed 'Trans proline' 0 C--N 1.367 1.502 0 N-CA-C 118.859 2.6 . . . . 0.0 118.859 -161.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -130.02 25.51 5.25 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 119.451 -2.031 . . . . 0.0 115.951 165.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -120.37 9.03 10.88 Favored 'General case' 0 N--CA 1.503 2.21 0 CA-C-N 115.167 -0.924 . . . . 0.0 113.149 -161.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 42.0 ptt85 -49.28 -31.93 9.92 Favored 'General case' 0 N--CA 1.428 -1.548 0 N-CA-C 117.978 2.584 . . . . 0.0 117.978 -176.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.76 -13.08 61.61 Favored 'General case' 0 N--CA 1.523 3.205 0 CA-C-N 121.6 2.0 . . . . 0.0 113.085 -175.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -127.29 -14.51 5.36 Favored 'General case' 0 C--O 1.194 -1.839 0 N-CA-C 118.297 2.702 . . . . 0.0 118.297 169.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 39.5 t30 54.88 36.86 27.59 Favored 'General case' 0 C--O 1.256 1.433 0 CA-C-N 120.191 1.36 . . . . 0.0 113.207 173.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -157.44 118.38 3.57 Favored 'General case' 0 C--N 1.36 1.051 0 CA-C-O 124.377 2.037 . . . . 0.0 109.197 -173.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 21.8 p -142.1 172.79 12.21 Favored 'General case' 0 C--O 1.251 1.144 0 O-C-N 120.345 -1.472 . . . . 0.0 108.831 177.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -137.85 163.02 32.45 Favored 'General case' 0 N--CA 1.401 -2.888 0 C-N-CA 127.327 2.251 . . . . 0.0 114.349 -177.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.433 ' O ' HG13 ' A' ' 54' ' ' VAL . 8.9 ptt180 -129.84 151.62 50.22 Favored 'General case' 0 C--O 1.183 -2.438 0 C-N-CA 129.514 3.125 . . . . 0.0 110.641 167.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.408 ' HB3' ' CD1' ' A' ' 107' ' ' TYR . 60.6 p -60.02 163.35 4.8 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 124.227 1.011 . . . . 0.0 112.868 174.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -92.33 -13.12 30.72 Favored 'General case' 0 C--N 1.362 1.13 1 O-C-N 116.142 -4.099 . . . . 0.0 112.574 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -156.05 174.48 15.3 Favored 'General case' 0 C--O 1.256 1.442 0 CA-C-O 127.996 3.76 . . . . 0.0 111.174 -179.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 74.1 mtm180 -72.43 154.5 40.85 Favored 'General case' 0 N--CA 1.513 2.68 0 O-C-N 117.141 -3.474 . . . . 0.0 108.953 175.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.6 m -137.71 154.32 74.72 Favored Pre-proline 0 C--N 1.364 1.209 0 N-CA-C 106.343 -1.725 . . . . 0.0 106.343 174.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -57.17 148.57 69.04 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 O-C-N 125.123 2.118 . . . . 0.0 116.987 149.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 pp -154.86 168.35 27.21 Favored 'General case' 0 C--O 1.273 2.297 0 CA-C-O 128.381 3.943 . . . . 0.0 108.42 -173.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 tp -140.07 117.36 11.31 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-O 126.65 3.119 . . . . 0.0 112.468 163.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 45.9 t60 -84.96 156.94 20.95 Favored 'General case' 0 C--N 1.379 1.891 0 O-C-N 117.86 -3.025 . . . . 0.0 110.111 164.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 95.6 m -137.33 144.98 42.85 Favored 'General case' 0 CA--C 1.589 2.448 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -144.7 143.22 30.61 Favored 'General case' 1 N--CA 1.539 4.002 0 O-C-N 125.282 1.613 . . . . 0.0 114.43 -165.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.1 tp -72.87 107.64 5.38 Favored 'General case' 0 C--O 1.258 1.517 0 O-C-N 123.917 0.761 . . . . 0.0 111.769 175.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 pt -80.29 -5.26 8.16 Favored 'Isoleucine or valine' 0 C--O 1.255 1.346 0 CA-C-N 119.755 1.161 . . . . 0.0 112.752 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -121.29 69.41 20.76 Favored Pre-proline 0 CA--C 1.557 1.249 0 O-C-N 117.509 -3.244 . . . . 0.0 114.59 173.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . 0.253 59.0 Cg_exo -42.89 -32.3 2.57 Favored 'Trans proline' 0 C--N 1.384 2.403 0 N-CA-C 120.629 3.28 . . . . 0.0 120.629 177.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -85.93 44.57 3.36 Favored Glycine 0 N--CA 1.488 2.122 0 CA-C-N 120.572 1.533 . . . . 0.0 111.935 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -144.32 155.36 43.78 Favored 'General case' 0 CA--C 1.561 1.398 0 O-C-N 120.347 -1.678 . . . . 0.0 111.052 175.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -148.03 -17.24 0.35 Allowed 'General case' 0 C--N 1.367 1.329 0 O-C-N 119.315 -2.116 . . . . 0.0 106.844 -175.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -104.59 137.39 42.49 Favored 'General case' 0 N--CA 1.438 -1.069 0 O-C-N 119.897 -1.752 . . . . 0.0 109.459 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.264 2.8 pp -54.57 -18.09 2.62 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.548 0 O-C-N 119.436 -2.04 . . . . 0.0 115.754 -177.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 85.7 p -61.28 -18.58 59.16 Favored 'General case' 0 C--O 1.213 -0.853 1 O-C-N 115.371 -4.581 . . . . 0.0 116.13 171.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -129.15 -10.05 4.76 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 117.557 -3.214 . . . . 0.0 119.298 170.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 76.6 m -59.5 122.91 15.21 Favored 'General case' 0 C--N 1.378 1.815 0 C-N-CA 126.465 1.906 . . . . 0.0 113.196 172.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -132.8 144.51 50.29 Favored 'General case' 0 N--CA 1.519 2.977 0 C-N-CA 131.11 3.764 . . . . 0.0 107.809 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -123.84 154.0 40.24 Favored 'General case' 1 CA--C 1.631 4.08 0 C-N-CA 129.479 3.112 . . . . 0.0 111.116 -170.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.81 166.26 24.01 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 117.776 -3.078 . . . . 0.0 109.395 165.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . 0.272 8.7 m-20 -83.35 129.25 34.98 Favored 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 129.379 3.072 . . . . 0.0 109.278 -170.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . 0.4 0.6 OUTLIER -125.05 57.75 16.91 Favored Pre-proline 0 CA--C 1.585 2.32 0 C-N-CA 127.319 2.247 . . . . 0.0 115.302 174.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -65.87 158.34 54.41 Favored 'Trans proline' 0 C--O 1.198 -1.494 1 C-N-CA 125.542 4.161 . . . . 0.0 112.687 -174.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 170.74 175.42 39.38 Favored Glycine 0 CA--C 1.575 3.825 0 CA-C-N 122.204 2.274 . . . . 0.0 112.208 -172.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -132.14 109.17 9.78 Favored 'General case' 1 CA--C 1.639 4.397 0 N-CA-C 116.52 2.045 . . . . 0.0 116.52 176.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 68.7 mtm-85 -137.91 170.62 15.73 Favored 'General case' 0 N--CA 1.526 3.326 0 C-N-CA 128.625 2.77 . . . . 0.0 114.859 -176.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -71.59 174.87 6.12 Favored 'General case' 0 C--O 1.194 -1.824 0 O-C-N 120.37 -1.456 . . . . 0.0 112.517 157.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.408 ' CD1' ' HB3' ' A' ' 74' ' ' SER . 25.0 p90 -150.04 155.72 40.4 Favored 'General case' 0 N--CA 1.412 -2.355 0 O-C-N 125.539 1.775 . . . . 0.0 114.631 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.51 ' O ' HD12 ' A' ' 129' ' ' LEU . 40.3 t -135.72 128.95 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.606 0 CA-C-N 113.99 -1.459 . . . . 0.0 110.635 -169.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 22.2 m -128.08 177.88 5.49 Favored 'Isoleucine or valine' 0 C--O 1.264 1.827 0 C-N-CA 131.285 3.834 . . . . 0.0 113.382 -172.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -134.01 151.36 51.41 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 126.341 1.857 . . . . 0.0 110.367 158.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 96.8 m -127.5 171.26 11.75 Favored 'General case' 0 CA--C 1.564 1.501 0 N-CA-C 117.238 2.31 . . . . 0.0 117.238 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -144.28 173.32 11.87 Favored 'General case' 0 CA--C 1.498 -1.02 0 C-N-CA 127.48 2.312 . . . . 0.0 114.138 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -56.08 166.29 0.82 Allowed 'General case' 0 CA--C 1.484 -1.584 0 CA-C-O 125.351 2.5 . . . . 0.0 113.05 160.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -54.9 153.81 5.88 Favored 'General case' 0 CA--C 1.562 1.416 0 O-C-N 118.343 -2.723 . . . . 0.0 113.376 169.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.49 146.43 89.67 Favored Pre-proline 0 N--CA 1.517 2.892 0 C-N-CA 127.584 2.354 . . . . 0.0 110.862 148.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -57.83 -33.11 96.51 Favored 'Trans proline' 0 N--CA 1.433 -2.068 0 C-N-CA 122.182 1.921 . . . . 0.0 114.634 -172.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -126.9 -24.5 3.48 Favored 'General case' 0 C--N 1.38 1.905 1 CA-C-O 110.471 -4.585 . . . . 0.0 113.075 -172.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -79.22 127.63 32.29 Favored 'General case' 0 CA--C 1.56 1.35 0 CA-C-N 125.19 3.632 . . . . 0.0 113.822 -174.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 67.7 m 51.17 70.92 1.71 Allowed Pre-proline 0 CA--C 1.572 1.808 0 N-CA-C 116.033 1.864 . . . . 0.0 116.033 172.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -51.99 -22.72 15.07 Favored 'Trans proline' 0 C--O 1.263 1.759 0 N-CA-C 120.262 3.139 . . . . 0.0 120.262 -178.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -51.79 -16.37 0.67 Allowed 'General case' 0 C--O 1.192 -1.946 0 N-CA-C 119.807 3.262 . . . . 0.0 119.807 166.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.419 ' CD1' HG21 ' A' ' 52' ' ' VAL . 23.2 m-85 -122.18 75.82 41.41 Favored Pre-proline 0 N--CA 1.409 -2.523 0 O-C-N 125.202 1.564 . . . . 0.0 110.241 -168.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -56.13 -22.78 41.39 Favored 'Trans proline' 0 C--O 1.253 1.25 1 C-N-CA 125.67 4.247 . . . . 0.0 114.769 177.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.8 m -129.43 161.11 39.56 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.518 0 C-N-CA 126.617 1.967 . . . . 0.0 107.473 167.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 17.8 m -151.46 143.48 16.13 Favored Pre-proline 0 CA--C 1.556 1.198 0 O-C-N 119.883 -1.761 . . . . 0.0 109.113 -176.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.429 ' HB2' ' CE2' ' A' ' 11' ' ' PHE . 66.3 Cg_endo -70.72 135.93 29.29 Favored 'Trans proline' 0 N--CA 1.418 -2.957 1 C-N-CA 126.764 4.976 . . . . 0.0 113.081 171.034 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . 0.264 27.6 m -122.19 -11.18 8.3 Favored 'Isoleucine or valine' 0 C--O 1.293 3.356 0 O-C-N 127.437 2.961 . . . . 0.0 113.733 -170.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -165.92 154.13 10.92 Favored 'General case' 0 C--N 1.399 2.735 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 108' ' ' VAL . 20.5 tp -127.45 144.56 51.04 Favored 'General case' 0 C--N 1.309 -1.166 0 C-N-CA 127.969 2.508 . . . . 0.0 110.849 166.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.475 ' H ' HD12 ' A' ' 129' ' ' LEU . 38.8 t70 -131.25 -27.77 1.97 Allowed 'General case' 0 C--N 1.291 -1.972 0 O-C-N 121.589 -0.694 . . . . 0.0 111.877 -159.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . 0.263 6.8 t -164.99 170.11 15.58 Favored 'General case' 0 C--O 1.26 1.644 1 C-N-CA 132.072 4.149 . . . . 0.0 110.114 179.514 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 73.4 p -143.63 125.54 15.23 Favored 'General case' 0 C--N 1.375 1.71 0 N-CA-C 105.151 -2.166 . . . . 0.0 105.151 170.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.369 1.44 0 N-CA-C 118.322 2.712 . . . . 0.0 118.322 -166.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo . . . . . 0 CA--C 1.578 2.696 0 CA-C-O 115.426 -1.989 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.287 70.8 Cg_endo -66.1 -15.5 48.78 Favored 'Trans proline' 0 C--N 1.3 -2.004 0 C-N-CA 125.083 3.855 . . . . 0.0 118.489 -175.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.26 26.8 pt20 -154.14 16.58 0.48 Allowed 'General case' 0 N--CA 1.439 -0.989 0 CA-C-O 115.27 -2.3 . . . . 0.0 109.178 -165.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -153.29 169.32 23.36 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 119.158 3.021 . . . . 0.0 119.158 -176.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.8 p -61.7 155.35 22.91 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 150.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -49.75 -37.18 28.46 Favored 'General case' 0 CA--C 1.562 1.429 0 O-C-N 119.358 -2.089 . . . . 0.0 114.522 148.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.9 -37.22 62.15 Favored 'General case' 0 N--CA 1.499 2.015 0 CA-C-N 121.198 1.817 . . . . 0.0 114.704 -174.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -64.1 -37.06 86.08 Favored 'General case' 0 CA--C 1.577 1.991 0 O-C-N 120.133 -1.604 . . . . 0.0 111.074 171.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -77.37 -28.84 53.04 Favored 'General case' 0 C--N 1.358 0.978 0 C-N-CA 123.063 0.545 . . . . 0.0 111.252 -172.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -53.53 -59.85 4.07 Favored 'General case' 0 N--CA 1.511 2.608 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 158.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.35 -41.93 90.37 Favored 'General case' 0 CA--C 1.559 1.325 0 O-C-N 121.158 -0.963 . . . . 0.0 111.664 -170.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.3 mt -62.16 -33.92 61.06 Favored 'Isoleucine or valine' 0 C--N 1.357 0.902 0 C-N-CA 119.302 -0.959 . . . . 0.0 110.817 176.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -71.52 -39.74 70.57 Favored 'General case' 0 C--O 1.288 3.122 0 CA-C-O 118.436 -0.793 . . . . 0.0 113.042 178.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -130.94 -9.34 3.89 Favored 'General case' 0 C--O 1.184 -2.377 0 N-CA-C 120.811 3.634 . . . . 0.0 120.811 -162.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 47.8 mm -122.73 99.15 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.028 1 O-C-N 114.916 -4.865 . . . . 0.0 110.244 -172.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.2 m -142.5 104.91 4.47 Favored 'General case' 0 CA--C 1.561 1.395 0 N-CA-C 104.817 -2.29 . . . . 0.0 104.817 -171.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.8 tp -64.46 -35.03 79.61 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 123.83 1.776 . . . . 0.0 111.268 -174.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -149.73 72.62 9.69 Favored Pre-proline 0 C--N 1.311 -1.07 0 O-C-N 118.468 -2.645 . . . . 0.0 109.103 -173.096 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -69.34 166.65 26.34 Favored 'Trans proline' 0 C--N 1.371 1.719 0 O-C-N 124.651 1.869 . . . . 0.0 112.065 -176.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -82.65 171.04 12.39 Favored 'Trans proline' 1 CA--C 1.612 4.377 1 C-N-CA 126.874 5.05 . . . . 0.0 109.432 160.79 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.5 mtt-85 -46.8 144.12 2.52 Favored 'General case' 0 C--O 1.252 1.214 0 C-N-CA 128.011 2.525 . . . . 0.0 110.237 176.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.488 ' SG ' ' HA ' ' A' ' 100' ' ' ASP . 93.3 m -57.23 -22.1 38.61 Favored 'General case' 0 N--CA 1.519 3.009 0 CA-C-O 114.766 -2.54 . . . . 0.0 117.537 -176.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 p -48.36 -27.44 2.58 Favored 'General case' 0 N--CA 1.512 2.668 0 C-N-CA 126.836 2.054 . . . . 0.0 113.931 164.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.4 mm -118.7 -39.64 2.05 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.101 0 CA-C-O 114.249 -2.786 . . . . 0.0 105.506 -170.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.72 -28.85 69.35 Favored 'General case' 0 C--O 1.266 1.925 0 CA-C-O 114.114 -2.85 . . . . 0.0 109.822 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 29.1 mmm -63.45 -16.21 59.95 Favored 'General case' 0 CA--C 1.487 -1.457 0 CA-C-N 125.049 3.568 . . . . 0.0 111.994 173.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -68.41 -20.16 64.65 Favored 'General case' 0 C--O 1.192 -1.934 0 C-N-CA 125.211 1.404 . . . . 0.0 113.732 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -24.39 66.52 Favored 'General case' 0 N--CA 1.425 -1.72 0 C-N-CA 126.52 1.928 . . . . 0.0 113.015 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 16.3 pt -126.75 -39.04 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.187 0 O-C-N 125.466 1.729 . . . . 0.0 113.978 172.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.354 42.7 m-20 -72.01 -13.01 61.5 Favored 'General case' 0 N--CA 1.42 -1.936 0 N-CA-C 118.796 2.888 . . . . 0.0 118.796 -174.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -110.96 30.44 6.86 Favored 'General case' 0 CA--C 1.624 3.8 1 O-C-N 116.246 -4.034 . . . . 0.0 107.2 173.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -152.91 -54.45 0.12 Allowed 'General case' 0 N--CA 1.498 1.967 0 C-N-CA 128.765 2.826 . . . . 0.0 105.709 -162.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -79.22 162.42 25.73 Favored 'General case' 0 C--O 1.253 1.282 0 CA-C-N 121.304 1.865 . . . . 0.0 112.323 166.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -68.24 -11.73 59.83 Favored 'General case' 0 CA--C 1.575 1.941 0 C-N-CA 126.424 1.89 . . . . 0.0 113.005 -167.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -155.64 140.26 16.96 Favored 'General case' 0 N--CA 1.499 1.996 0 CA-C-O 122.026 0.917 . . . . 0.0 110.226 -169.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.8 m -49.19 103.7 0.05 Allowed 'General case' 0 CA--C 1.567 1.622 0 C-N-CA 129.465 3.106 . . . . 0.0 111.013 167.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.423 ' HE2' ' O ' ' A' ' 40' ' ' GLN . 56.7 tttt -66.24 126.64 29.35 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 116.881 -3.637 . . . . 0.0 110.011 166.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -60.64 -43.37 97.63 Favored 'General case' 0 N--CA 1.39 -3.444 0 C-N-CA 128.928 2.891 . . . . 0.0 118.684 -170.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.423 ' O ' ' HE2' ' A' ' 38' ' ' LYS . 34.0 mm-40 -135.78 148.56 48.8 Favored 'General case' 0 C--O 1.196 -1.745 0 C-N-CA 125.05 1.34 . . . . 0.0 108.091 176.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -150.38 163.28 38.75 Favored 'General case' 0 CA--C 1.587 2.377 0 O-C-N 116.666 -3.771 . . . . 0.0 108.348 172.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.7 m -139.61 135.2 33.08 Favored 'General case' 0 N--CA 1.508 2.449 0 C-N-CA 125.506 1.522 . . . . 0.0 114.711 175.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -122.06 117.95 27.57 Favored 'General case' 0 CA--C 1.579 2.068 0 O-C-N 124.897 1.373 . . . . 0.0 108.101 -173.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -77.72 134.96 37.99 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 127.583 2.353 . . . . 0.0 115.366 172.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -93.82 65.73 3.61 Favored 'General case' 0 CA--C 1.589 2.459 0 CA-C-O 124.801 2.238 . . . . 0.0 107.147 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.298 6.3 t -135.1 175.65 9.39 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 118.106 -2.871 . . . . 0.0 108.183 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.0 p -97.47 152.4 19.01 Favored 'General case' 0 C--O 1.195 -1.765 0 O-C-N 120.803 -1.185 . . . . 0.0 109.64 173.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -49.74 -49.65 47.26 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 118.519 -2.613 . . . . 0.0 112.959 -175.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.29 -28.86 70.01 Favored 'General case' 0 C--N 1.305 -1.355 1 O-C-N 130.632 4.957 . . . . 0.0 111.575 -172.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -71.97 -26.98 62.48 Favored 'General case' 0 C--O 1.204 -1.326 0 CA-C-O 114.768 -2.539 . . . . 0.0 111.189 174.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.0 t -80.15 -36.18 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 CA-C-N 120.372 1.442 . . . . 0.0 110.737 171.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.1 t -53.78 -32.62 21.9 Favored 'Isoleucine or valine' 0 C--O 1.255 1.384 0 CA-C-O 115.241 -2.314 . . . . 0.0 111.85 175.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -71.12 -18.67 62.51 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 125.659 3.845 . . . . 0.0 114.834 176.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.4 t -74.32 -27.85 22.11 Favored 'Isoleucine or valine' 0 C--O 1.273 2.32 0 C-N-CA 126.887 2.075 . . . . 0.0 113.306 166.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 21.3 m -56.4 -45.08 80.81 Favored 'General case' 0 C--N 1.402 2.853 0 CA-C-O 122.23 1.014 . . . . 0.0 110.492 159.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.49 4.93 0.12 Allowed Glycine 1 N--CA 1.519 4.183 0 N-CA-C 121.248 3.259 . . . . 0.0 121.248 166.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -95.57 174.01 7.21 Favored 'General case' 0 N--CA 1.534 3.752 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 -175.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -46.97 147.77 1.27 Allowed 'General case' 0 CA--C 1.622 3.715 0 O-C-N 118.809 -2.432 . . . . 0.0 111.807 166.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.4 m -90.8 139.67 30.52 Favored 'General case' 0 N--CA 1.507 2.381 0 CA-C-N 122.585 2.448 . . . . 0.0 110.248 171.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.6 pt -137.96 -175.25 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 CA-C-O 126.143 2.878 . . . . 0.0 112.07 -177.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -109.97 148.37 31.76 Favored 'General case' 0 CA--C 1.49 -1.346 0 O-C-N 117.578 -3.201 . . . . 0.0 111.011 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 72.9 m -137.54 150.36 68.12 Favored Pre-proline 0 N--CA 1.48 1.062 0 O-C-N 125.011 1.444 . . . . 0.0 114.105 -173.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . 0.296 96.7 Cg_endo -72.8 -1.53 10.55 Favored 'Trans proline' 0 C--N 1.326 -0.624 1 C-N-CA 125.369 4.046 . . . . 0.0 112.485 -163.498 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -142.82 35.2 1.4 Allowed 'General case' 0 CA--C 1.581 2.151 0 CA-C-N 121.046 1.748 . . . . 0.0 114.58 -178.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -141.21 1.88 1.65 Allowed 'General case' 0 N--CA 1.499 2.018 0 C-N-CA 127.261 2.224 . . . . 0.0 111.046 -151.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.1 ptt85 -60.36 -19.54 56.01 Favored 'General case' 0 N--CA 1.494 1.734 1 O-C-N 115.414 -4.554 . . . . 0.0 114.432 -178.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.7 p -68.32 -29.39 68.13 Favored 'General case' 0 CA--C 1.493 -1.219 0 CA-C-O 114.371 -2.728 . . . . 0.0 112.245 175.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.472 ' H ' HD23 ' A' ' 68' ' ' LEU . 2.4 pt? -118.25 -9.29 10.47 Favored 'General case' 0 C--O 1.268 2.034 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 162.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.331 5.1 t30 47.19 47.42 16.44 Favored 'General case' 0 C--N 1.296 -1.728 0 C-N-CA 126.646 1.978 . . . . 0.0 112.035 171.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -159.79 119.95 2.99 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 129.37 3.068 . . . . 0.0 110.744 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 30.8 p -146.41 175.3 10.65 Favored 'General case' 0 C--N 1.286 -2.158 0 C-N-CA 127.521 2.328 . . . . 0.0 110.976 171.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -143.47 153.9 43.11 Favored 'General case' 0 C--N 1.365 1.269 0 O-C-N 120.401 -1.437 . . . . 0.0 110.988 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -114.47 159.97 19.73 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 126.495 1.918 . . . . 0.0 113.469 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 76.3 p -78.14 140.54 39.02 Favored 'General case' 0 N--CA 1.533 3.707 0 CA-C-N 114.378 -1.283 . . . . 0.0 111.518 -174.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -69.93 -29.47 66.63 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 -175.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -137.16 -175.79 4.16 Favored 'General case' 0 C--O 1.283 2.816 0 C-N-CA 129.197 2.999 . . . . 0.0 104.977 -169.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 -91.84 162.51 14.4 Favored 'General case' 0 C--O 1.248 1.02 0 C-N-CA 127.771 2.428 . . . . 0.0 111.399 168.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.5 m -148.72 145.76 20.62 Favored Pre-proline 0 C--O 1.272 2.249 0 C-N-CA 126.945 2.098 . . . . 0.0 106.78 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.76 156.2 67.05 Favored 'Trans proline' 0 CA--C 1.586 3.079 0 O-C-N 116.332 -2.51 . . . . 0.0 113.821 169.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . 0.334 2.1 pp -152.53 -175.34 5.25 Favored 'General case' 0 C--O 1.274 2.36 0 O-C-N 125.768 1.918 . . . . 0.0 108.057 -171.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.445 ' HA ' ' HA ' ' A' ' 102' ' ' PRO . 23.1 tp -151.9 108.43 3.46 Favored 'General case' 0 C--O 1.27 2.179 1 C-N-CA 134.343 5.057 . . . . 0.0 114.924 178.865 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.7 t60 -82.2 151.59 26.81 Favored 'General case' 0 C--N 1.362 1.141 0 C-N-CA 124.348 1.059 . . . . 0.0 111.021 167.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 90.8 m -138.73 144.17 39.39 Favored 'General case' 0 CA--C 1.486 -1.519 0 CA-C-O 117.541 -1.219 . . . . 0.0 112.864 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -140.93 121.35 14.04 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-O 115.4 -2.238 . . . . 0.0 111.634 -157.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 52.3 tp -65.35 92.74 0.13 Allowed 'General case' 0 CA--C 1.575 1.938 0 C-N-CA 127.448 2.299 . . . . 0.0 110.234 173.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 25.5 pt -66.34 19.11 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 N-CA-C 117.546 2.425 . . . . 0.0 117.546 172.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -146.32 103.25 4.04 Favored Pre-proline 0 C--N 1.394 2.518 0 O-C-N 119.874 -1.766 . . . . 0.0 112.234 172.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -71.01 -21.08 28.17 Favored 'Trans proline' 0 N--CA 1.445 -1.337 0 C-N-CA 121.991 1.794 . . . . 0.0 116.36 -175.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -85.45 -2.4 87.37 Favored Glycine 0 N--CA 1.48 1.62 0 CA-C-N 121.336 1.88 . . . . 0.0 116.585 171.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.8 131.36 35.88 Favored 'General case' 0 C--N 1.395 2.585 0 C-N-CA 115.877 -2.329 . . . . 0.0 113.036 173.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -121.5 -20.62 6.52 Favored 'General case' 0 C--N 1.361 1.093 0 CA-C-N 123.402 2.819 . . . . 0.0 115.888 172.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . 0.255 50.8 t30 -129.82 154.39 47.3 Favored 'General case' 0 N--CA 1.51 2.538 0 C-N-CA 117.098 -1.841 . . . . 0.0 111.754 -176.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 pp -65.5 -8.66 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 C-N-CA 127.029 2.132 . . . . 0.0 111.579 -159.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.8 m -73.55 -19.44 60.9 Favored 'General case' 1 N--CA 1.542 4.147 0 O-C-N 120.339 -1.476 . . . . 0.0 110.072 172.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -139.34 6.99 2.36 Favored 'General case' 0 C--O 1.263 1.771 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -171.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . 0.363 64.7 m -69.93 143.55 52.67 Favored 'General case' 0 C--N 1.365 1.265 0 C-N-CA 129.198 2.999 . . . . 0.0 113.032 173.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -155.64 139.37 16.11 Favored 'General case' 0 N--CA 1.499 1.993 1 C-N-CA 132.018 4.127 . . . . 0.0 113.443 -176.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -134.13 168.75 18.27 Favored 'General case' 0 C--O 1.28 2.685 0 O-C-N 118.868 -2.395 . . . . 0.0 113.279 -165.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -151.75 162.44 41.01 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-O 124.328 2.013 . . . . 0.0 110.603 177.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.488 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 1.2 m-20 -99.17 136.74 38.69 Favored 'General case' 0 C--O 1.246 0.919 0 C-N-CA 129.555 3.142 . . . . 0.0 107.725 -167.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -144.19 75.96 15.17 Favored Pre-proline 0 C--O 1.272 2.287 0 C-N-CA 128.508 2.723 . . . . 0.0 110.728 165.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.445 ' HA ' ' HA ' ' A' ' 81' ' ' LEU . 72.3 Cg_exo -38.2 164.07 0.02 OUTLIER 'Trans proline' 0 N--CA 1.505 2.192 0 C-N-CA 123.234 2.623 . . . . 0.0 117.271 163.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -173.75 -163.83 27.91 Favored Glycine 0 C--O 1.267 2.201 0 C-N-CA 116.738 -2.649 . . . . 0.0 118.645 162.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.6 ttt-85 -153.08 120.69 5.98 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 118.863 -2.551 . . . . 0.0 108.987 168.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -151.7 164.75 36.28 Favored 'General case' 0 N--CA 1.495 1.789 1 C-N-CA 131.804 4.042 . . . . 0.0 111.9 -165.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -76.78 173.27 11.87 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 121.42 -0.8 . . . . 0.0 110.229 158.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -158.59 161.85 37.28 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 121.526 1.966 . . . . 0.0 113.899 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.8 t -138.51 118.56 15.13 Favored 'Isoleucine or valine' 0 C--N 1.392 2.422 0 CA-C-O 123.39 1.567 . . . . 0.0 109.904 -163.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.6 m -127.52 164.43 28.63 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.283 0 C-N-CA 128.438 2.695 . . . . 0.0 108.467 -157.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -124.16 151.55 43.88 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-O 124.036 1.874 . . . . 0.0 108.247 169.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 55.5 m -127.55 175.56 8.16 Favored 'General case' 0 C--O 1.275 2.435 0 C-N-CA 127.305 2.242 . . . . 0.0 112.097 178.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -155.17 154.58 32.5 Favored 'General case' 0 C--N 1.29 -1.992 0 CA-C-N 111.276 -2.693 . . . . 0.0 114.923 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -51.99 141.53 17.76 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 127.461 2.976 . . . . 0.0 115.404 165.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.413 ' HE ' ' HB2' ' A' ' 114' ' ' ARG . 6.0 ptm180 -44.62 153.64 0.16 Allowed 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 131.254 3.822 . . . . 0.0 114.41 -178.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -73.84 138.11 76.6 Favored Pre-proline 0 CA--C 1.561 1.393 0 O-C-N 117.175 -3.453 . . . . 0.0 105.243 171.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -66.67 0.2 3.83 Favored 'Trans proline' 0 CA--C 1.557 1.642 0 CA-C-O 114.282 -2.466 . . . . 0.0 114.15 175.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 31.2 mtm105 -138.17 -49.39 0.56 Allowed 'General case' 0 C--O 1.273 2.302 0 CA-C-N 123.683 2.947 . . . . 0.0 113.081 164.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -58.08 117.35 4.27 Favored 'General case' 0 N--CA 1.497 1.883 0 CA-C-N 120.168 1.349 . . . . 0.0 114.095 -175.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.3 m 65.44 70.81 0.55 Allowed Pre-proline 0 C--O 1.252 1.226 0 CA-C-O 121.972 0.891 . . . . 0.0 110.612 159.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -66.97 -28.28 42.09 Favored 'Trans proline' 0 N--CA 1.51 2.472 1 C-N-CA 126.867 5.045 . . . . 0.0 115.713 -170.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 37.0 ttm105 -41.88 -35.95 0.95 Allowed 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 -177.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . 0.255 6.4 m-85 -106.52 130.06 23.51 Favored Pre-proline 0 CA--C 1.578 2.021 0 O-C-N 119.899 -1.751 . . . . 0.0 111.001 -173.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -78.69 -17.82 12.27 Favored 'Trans proline' 0 CA--C 1.565 2.053 0 CA-C-O 124.373 1.739 . . . . 0.0 112.139 174.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 4.0 m -145.05 141.7 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 C-N-CA 130.421 3.489 . . . . 0.0 112.173 -177.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 26.8 m -141.96 144.37 32.0 Favored Pre-proline 0 N--CA 1.482 1.175 0 O-C-N 117.455 -3.278 . . . . 0.0 106.675 -164.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -78.36 146.84 22.41 Favored 'Trans proline' 0 CA--C 1.555 1.546 0 O-C-N 126.376 2.777 . . . . 0.0 106.978 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 27.3 m -129.39 -12.01 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.609 3.222 0 CA-C-O 116.228 -1.844 . . . . 0.0 113.138 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -156.06 154.91 31.74 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 116.67 -1.634 . . . . 0.0 114.675 -171.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 25.7 tp -138.55 106.39 5.66 Favored 'General case' 0 N--CA 1.521 3.086 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 173.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -79.44 -37.53 36.8 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 128.392 2.677 . . . . 0.0 111.256 -174.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 8.0 t -173.18 179.73 2.15 Favored 'General case' 0 N--CA 1.523 3.22 0 O-C-N 118.464 -2.647 . . . . 0.0 108.843 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 45.4 p -140.48 149.33 42.39 Favored 'General case' 0 N--CA 1.517 2.894 0 N-CA-C 103.688 -2.708 . . . . 0.0 103.688 177.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.278 0.1 OUTLIER . . . . . 0 N--CA 1.512 2.647 0 O-C-N 119.537 -1.977 . . . . 0.0 112.192 -168.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo . . . . . 0 C--O 1.256 1.395 0 CA-C-O 115.738 -1.859 . . . . 0.0 114.448 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -45.74 -32.56 9.03 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 CA-C-O 115.256 -2.06 . . . . 0.0 116.021 -175.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -148.77 21.65 1.01 Allowed 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 123.949 3.068 . . . . 0.0 115.813 -175.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -141.49 -177.14 5.01 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 128.191 2.596 . . . . 0.0 111.281 -171.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 49.2 p -92.49 164.57 13.41 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 127.786 2.434 . . . . 0.0 112.927 146.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -54.38 -50.52 67.32 Favored 'General case' 0 CA--C 1.463 -2.399 0 C-N-CA 126.047 1.739 . . . . 0.0 110.432 178.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . 0.253 . . -71.13 -33.47 70.12 Favored 'General case' 0 CA--C 1.487 -1.459 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -173.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -64.11 -55.61 20.73 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-O 124.536 2.112 . . . . 0.0 111.798 169.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -51.55 -42.88 62.15 Favored 'General case' 0 N--CA 1.405 -2.698 0 O-C-N 120.632 -1.293 . . . . 0.0 113.775 175.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 126' ' ' PRO . 43.2 t80 -51.6 -57.0 10.38 Favored 'General case' 0 C--O 1.181 -2.521 0 O-C-N 118.832 -2.418 . . . . 0.0 108.718 168.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.82 -52.39 57.19 Favored 'General case' 0 C--O 1.182 -2.455 0 N-CA-C 119.885 3.291 . . . . 0.0 119.885 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.0 mt -58.33 -29.85 38.92 Favored 'Isoleucine or valine' 0 C--O 1.297 3.593 0 O-C-N 117.911 -2.993 . . . . 0.0 113.829 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -80.39 -19.29 46.62 Favored 'General case' 0 N--CA 1.511 2.579 0 C-N-CA 129.235 3.014 . . . . 0.0 114.867 173.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -153.75 -11.56 0.14 Allowed 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 118.471 2.767 . . . . 0.0 118.471 -158.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.6 mm -136.3 99.95 2.18 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.114 0 CA-C-O 122.79 1.281 . . . . 0.0 110.89 -173.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 m -151.52 102.34 2.88 Favored 'General case' 0 CA--C 1.566 1.577 0 C-N-CA 127.641 2.377 . . . . 0.0 108.0 -160.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.0 tp -54.14 -41.02 67.93 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 127.587 2.355 . . . . 0.0 114.764 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -147.85 70.27 11.22 Favored Pre-proline 0 C--N 1.387 2.226 0 O-C-N 125.736 1.898 . . . . 0.0 108.969 -171.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.523 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 36.7 Cg_endo -69.98 152.24 68.12 Favored 'Trans proline' 0 C--O 1.257 1.457 0 C-N-CA 123.919 3.079 . . . . 0.0 114.108 174.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.523 ' HD3' ' HA ' ' A' ' 20' ' ' PRO . 34.0 Cg_exo -68.09 -165.65 0.12 Allowed 'Trans proline' 0 CA--C 1.583 2.972 1 C-N-CA 125.937 4.425 . . . . 0.0 114.772 167.634 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.1 mtt-85 -53.6 153.24 4.46 Favored 'General case' 0 C--O 1.264 1.816 0 CA-C-O 123.77 1.748 . . . . 0.0 107.178 164.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 79.6 m -50.61 -39.39 50.06 Favored 'General case' 0 CA--C 1.58 2.098 0 O-C-N 118.804 -2.435 . . . . 0.0 113.206 163.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.5 p -45.42 -28.89 0.96 Allowed 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 119.859 3.281 . . . . 0.0 119.859 166.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.3 mm -100.67 -46.09 11.65 Favored 'Isoleucine or valine' 0 C--O 1.273 2.323 0 O-C-N 125.05 1.468 . . . . 0.0 108.351 170.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.77 -42.47 97.54 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 119.649 -1.907 . . . . 0.0 109.413 -167.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 81.7 mmm -53.75 -36.08 61.95 Favored 'General case' 0 CA--C 1.588 2.418 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 170.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -51.6 -32.83 30.29 Favored 'General case' 0 N--CA 1.522 3.153 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 -174.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.6 -28.23 0.57 Allowed 'General case' 0 CA--C 1.593 2.622 0 C-N-CA 130.172 3.389 . . . . 0.0 116.116 178.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.6 pt -132.87 -36.32 0.5 Allowed 'Isoleucine or valine' 0 C--O 1.198 -1.649 1 CA-C-O 111.21 -4.233 . . . . 0.0 105.337 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -88.36 -10.91 47.81 Favored 'General case' 0 N--CA 1.531 3.604 1 CA-C-N 127.173 4.533 . . . . 0.0 111.674 -163.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -116.72 17.85 15.08 Favored 'General case' 0 C--O 1.184 -2.384 0 C-N-CA 127.919 2.488 . . . . 0.0 106.048 177.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -141.02 -3.9 1.21 Allowed 'General case' 0 C--N 1.386 2.189 0 O-C-N 116.514 -3.866 . . . . 0.0 111.859 176.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -112.9 150.93 31.09 Favored 'General case' 0 C--N 1.305 -1.364 1 O-C-N 116.269 -4.019 . . . . 0.0 107.178 166.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -44.41 -32.33 1.32 Allowed 'General case' 0 CA--C 1.561 1.402 0 N-CA-C 121.101 3.741 . . . . 0.0 121.101 -177.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -143.94 151.16 39.41 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 127.443 2.297 . . . . 0.0 108.266 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 85.7 m -64.74 134.96 55.28 Favored 'General case' 0 CA--C 1.571 1.754 0 C-N-CA 128.475 2.71 . . . . 0.0 111.633 -176.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -68.47 129.09 38.9 Favored 'General case' 0 N--CA 1.521 3.109 0 CA-C-O 124.282 1.992 . . . . 0.0 109.842 165.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -55.27 -35.72 65.33 Favored 'General case' 0 N--CA 1.439 -0.995 2 O-C-N 114.746 -4.972 . . . . 0.0 116.353 176.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -151.69 149.1 28.72 Favored 'General case' 0 C--N 1.427 3.969 0 O-C-N 119.83 -1.794 . . . . 0.0 107.871 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -151.13 154.72 37.47 Favored 'General case' 0 CA--C 1.589 2.467 0 C-N-CA 126.454 1.901 . . . . 0.0 115.112 171.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 79.9 m -129.24 132.73 47.28 Favored 'General case' 0 C--O 1.262 1.727 0 CA-C-O 114.615 -2.612 . . . . 0.0 112.842 -172.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -124.49 116.52 22.64 Favored 'General case' 0 C--O 1.2 -1.537 0 C-N-CA 130.506 3.523 . . . . 0.0 109.773 -176.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.411 HD21 HG21 ' A' ' 132' ' ' THR . 16.0 mt -87.28 124.54 33.45 Favored 'General case' 0 C--N 1.378 1.813 0 O-C-N 119.781 -1.824 . . . . 0.0 109.241 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.419 ' HB2' ' HB2' ' A' ' 79' ' ' PRO . 27.7 mtp180 -82.04 77.3 8.87 Favored 'General case' 0 N--CA 1.472 0.663 1 O-C-N 129.257 4.098 . . . . 0.0 115.394 175.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.5 t -144.33 173.33 11.87 Favored 'General case' 0 C--N 1.373 1.592 0 N-CA-C 104.839 -2.282 . . . . 0.0 104.839 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.5 p -75.16 157.34 34.78 Favored 'General case' 0 N--CA 1.523 3.209 0 CA-C-N 114.305 -1.316 . . . . 0.0 110.976 164.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -68.01 -37.5 81.49 Favored 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 172.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.69 -19.56 65.02 Favored 'General case' 0 N--CA 1.535 3.793 0 C-N-CA 126.143 1.777 . . . . 0.0 113.332 178.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -91.53 -22.77 20.19 Favored 'General case' 0 N--CA 1.408 -2.549 0 N-CA-C 116.162 1.912 . . . . 0.0 116.162 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 t -73.62 -27.7 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-N 114.532 -1.213 . . . . 0.0 111.036 163.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.456 HG11 ' CD1' ' A' ' 122' ' ' TYR . 85.3 t -60.17 -44.72 95.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 CA-C-O 124.964 2.316 . . . . 0.0 106.014 168.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -59.86 -22.62 62.56 Favored 'General case' 0 N--CA 1.508 2.441 1 O-C-N 114.573 -5.079 . . . . 0.0 114.703 172.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.0 t -74.56 -39.4 47.31 Favored 'Isoleucine or valine' 0 CA--C 1.616 3.514 0 CA-C-N 119.469 1.031 . . . . 0.0 108.479 168.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 88.6 m -63.76 -18.84 64.47 Favored 'General case' 0 CA--C 1.564 1.489 0 C-N-CA 128.048 2.539 . . . . 0.0 113.113 172.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -83.44 -9.05 84.13 Favored Glycine 2 C--O 1.166 -4.121 0 C-N-CA 130.244 3.783 . . . . 0.0 117.346 170.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -89.11 175.01 7.56 Favored 'General case' 0 CA--C 1.555 1.172 0 O-C-N 117.449 -3.383 . . . . 0.0 110.604 -176.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -54.74 138.01 43.12 Favored 'General case' 0 N--CA 1.522 3.149 0 O-C-N 118.773 -2.454 . . . . 0.0 109.876 -172.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.7 m -62.27 124.09 19.96 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 130.124 3.37 . . . . 0.0 111.952 173.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.5 pt -120.79 177.51 3.19 Favored 'Isoleucine or valine' 0 C--O 1.265 1.902 0 C-N-CA 124.09 0.956 . . . . 0.0 111.396 169.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -117.57 146.86 43.32 Favored 'General case' 0 N--CA 1.515 2.786 0 C-N-CA 127.304 2.242 . . . . 0.0 110.764 168.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 75.9 m -148.05 154.94 43.65 Favored Pre-proline 0 C--N 1.304 -1.371 1 C-N-CA 134.457 5.103 . . . . 0.0 118.529 -159.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -89.6 2.42 5.53 Favored 'Trans proline' 0 C--N 1.376 2.017 0 N-CA-C 115.87 1.45 . . . . 0.0 115.87 -164.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -128.67 37.45 4.1 Favored 'General case' 0 CA--C 1.601 2.936 0 C-N-CA 125.156 1.382 . . . . 0.0 111.833 -174.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -146.4 10.18 1.1 Allowed 'General case' 0 CA--C 1.589 2.448 0 O-C-N 119.238 -2.164 . . . . 0.0 112.226 -145.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . 0.255 28.5 ptt-85 -57.04 -30.79 64.53 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.716 1.607 . . . . 0.0 114.282 -163.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.2 p -62.21 -20.94 64.71 Favored 'General case' 0 N--CA 1.5 2.052 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 -178.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -141.83 -7.78 0.95 Allowed 'General case' 0 C--O 1.265 1.918 0 CA-C-O 116.942 -1.504 . . . . 0.0 114.623 174.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 65.7 t30 48.89 40.17 15.98 Favored 'General case' 0 C--O 1.209 -1.066 0 N-CA-C 118.481 2.771 . . . . 0.0 118.481 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -141.9 147.99 37.98 Favored 'General case' 0 C--O 1.255 1.371 0 C-N-CA 125.248 1.419 . . . . 0.0 114.01 169.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.2 p -162.91 166.66 23.68 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 126.125 1.77 . . . . 0.0 114.851 -177.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -136.69 154.63 50.56 Favored 'General case' 0 C--N 1.308 -1.201 0 O-C-N 121.236 -0.915 . . . . 0.0 110.966 178.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -116.72 157.37 25.58 Favored 'General case' 0 CA--C 1.573 1.859 0 C-N-CA 123.87 0.868 . . . . 0.0 113.279 176.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.5 p -70.78 145.17 50.57 Favored 'General case' 0 CA--C 1.481 -1.679 0 CA-C-O 127.168 3.366 . . . . 0.0 110.875 -170.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 76.4 mtt-85 -70.22 -16.48 63.06 Favored 'General case' 0 C--N 1.391 2.382 0 CA-C-N 110.74 -2.936 . . . . 0.0 115.841 -175.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -164.82 173.27 11.92 Favored 'General case' 0 CA--C 1.588 2.406 0 C-N-CA 130.705 3.602 . . . . 0.0 112.081 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -74.97 151.73 38.82 Favored 'General case' 0 C--N 1.37 1.487 0 O-C-N 119.189 -2.194 . . . . 0.0 112.444 175.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.4 m -131.24 148.9 72.02 Favored Pre-proline 0 C--O 1.206 -1.205 0 CA-C-O 115.505 -2.188 . . . . 0.0 109.563 175.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.419 ' HB2' ' HB2' ' A' ' 45' ' ' ARG . 48.7 Cg_exo -51.47 154.03 9.41 Favored 'Trans proline' 0 CA--C 1.596 3.597 0 O-C-N 124.94 2.021 . . . . 0.0 114.958 155.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 pp -168.93 165.33 11.54 Favored 'General case' 0 C--O 1.192 -1.942 0 CA-C-O 125.116 2.389 . . . . 0.0 106.557 -173.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.7 tp -127.59 141.59 51.59 Favored 'General case' 0 N--CA 1.427 -1.623 0 O-C-N 117.933 -2.979 . . . . 0.0 109.812 172.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . 0.257 35.3 t60 -119.04 152.18 36.89 Favored 'General case' 0 C--O 1.204 -1.327 0 N-CA-C 103.347 -2.835 . . . . 0.0 103.347 174.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 99.3 m -141.56 131.41 24.37 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -171.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . 0.362 58.8 t0 -127.59 143.3 51.18 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 116.429 -1.748 . . . . 0.0 113.39 -160.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.6 tp -84.37 77.76 9.93 Favored 'General case' 0 CA--C 1.479 -1.761 0 N-CA-C 118.311 2.708 . . . . 0.0 118.311 172.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.4 pp -64.96 -0.26 0.71 Allowed 'Isoleucine or valine' 1 N--CA 1.547 4.413 0 CA-C-N 110.853 -2.885 . . . . 0.0 117.764 -177.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -126.12 82.91 64.43 Favored Pre-proline 0 C--O 1.268 2.034 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 162.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_exo -51.19 -16.47 2.94 Favored 'Trans proline' 0 C--N 1.37 1.692 1 C-N-CA 126.503 4.802 . . . . 0.0 118.247 172.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -71.32 -0.36 37.0 Favored Glycine 0 N--CA 1.482 1.761 0 CA-C-O 115.353 -2.915 . . . . 0.0 119.878 175.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -129.01 159.72 35.02 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-N 122.374 3.087 . . . . 0.0 112.093 -173.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -140.82 -9.27 1.04 Allowed 'General case' 0 C--O 1.256 1.437 0 CA-C-N 112.661 -2.063 . . . . 0.0 114.328 160.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -94.86 137.44 33.92 Favored 'General case' 0 CA--C 1.598 2.824 1 O-C-N 113.448 -5.782 . . . . 0.0 111.223 177.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.1 pt -51.66 -22.85 2.72 Favored 'Isoleucine or valine' 0 C--N 1.367 1.364 0 CA-C-O 115.905 -1.998 . . . . 0.0 116.059 -169.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.0 m -54.34 -22.97 13.56 Favored 'General case' 1 C--O 1.305 4.021 0 N-CA-C 118.758 2.873 . . . . 0.0 118.758 168.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -145.75 -5.67 0.62 Allowed 'General case' 0 C--N 1.254 -3.557 0 CA-C-N 114.285 -1.325 . . . . 0.0 112.822 -170.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.2 m -61.21 135.17 57.65 Favored 'General case' 0 CA--C 1.597 2.752 0 O-C-N 120.058 -1.651 . . . . 0.0 111.291 164.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 55.2 mtt-85 -153.51 152.62 31.16 Favored 'General case' 0 C--O 1.185 -2.329 0 CA-C-O 126.779 3.18 . . . . 0.0 111.289 174.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -135.55 166.96 22.0 Favored 'General case' 0 CA--C 1.574 1.892 0 CA-C-O 128.174 3.845 . . . . 0.0 115.578 -150.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -152.66 163.65 39.23 Favored 'General case' 0 C--O 1.28 2.678 0 CA-C-N 112.487 -2.142 . . . . 0.0 113.162 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -100.87 147.86 25.62 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 117.459 -3.276 . . . . 0.0 113.294 -166.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . 0.255 0.9 OUTLIER -147.21 64.48 8.85 Favored Pre-proline 0 N--CA 1.51 2.545 0 O-C-N 118.08 -2.888 . . . . 0.0 112.997 176.632 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . 0.333 44.9 Cg_endo -62.35 174.73 2.48 Favored 'Trans proline' 0 CA--C 1.489 -1.755 0 C-N-CA 124.855 3.703 . . . . 0.0 120.476 170.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 160.98 -178.16 37.06 Favored Glycine 1 CA--C 1.59 4.779 0 CA-C-O 118.315 -1.269 . . . . 0.0 113.172 -167.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 66.2 ttt-85 -149.74 119.97 7.29 Favored 'General case' 0 N--CA 1.415 -2.201 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 178.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 84.1 mtm-85 -159.34 172.59 17.7 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-O 116.815 -1.564 . . . . 0.0 111.21 -170.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -67.6 179.56 1.32 Allowed 'General case' 0 CA--C 1.59 2.519 0 N-CA-C 105.288 -2.115 . . . . 0.0 105.288 175.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.742 ' HB3' HG22 ' A' ' 132' ' ' THR . 51.9 p90 -152.15 163.48 39.28 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-O 125.718 2.675 . . . . 0.0 113.606 171.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.0 t -128.15 139.36 52.12 Favored 'Isoleucine or valine' 0 C--O 1.278 2.596 0 CA-C-N 113.305 -1.77 . . . . 0.0 113.682 -177.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 17.4 m -142.7 168.21 13.92 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.929 0 C-N-CA 126.912 2.085 . . . . 0.0 116.097 -178.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -133.65 156.02 48.64 Favored 'General case' 0 CA--C 1.599 2.863 0 N-CA-C 104.228 -2.508 . . . . 0.0 104.228 165.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.0 m -141.25 179.37 6.8 Favored 'General case' 0 C--O 1.282 2.768 0 C-N-CA 130.424 3.49 . . . . 0.0 115.316 -164.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -165.41 165.54 19.17 Favored 'General case' 0 N--CA 1.431 -1.395 0 CA-C-N 113.243 -1.799 . . . . 0.0 111.662 -171.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -55.79 145.92 23.01 Favored 'General case' 0 N--CA 1.519 2.978 0 N-CA-C 116.507 2.039 . . . . 0.0 116.507 168.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . 0.317 3.7 ptt180 -52.68 152.43 3.75 Favored 'General case' 0 C--O 1.284 2.873 0 C-N-CA 126.123 1.769 . . . . 0.0 112.614 -174.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -73.63 159.68 83.96 Favored Pre-proline 0 C--O 1.209 -1.071 0 CA-C-N 121.914 2.143 . . . . 0.0 114.263 172.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -72.57 -5.15 16.62 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 N-CA-C 117.631 2.127 . . . . 0.0 117.631 -171.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -143.66 -44.12 0.28 Allowed 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 118.97 2.952 . . . . 0.0 118.97 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -61.57 141.66 57.61 Favored 'General case' 0 N--CA 1.5 2.059 0 C-N-CA 125.95 1.7 . . . . 0.0 109.773 174.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 70.5 m 27.63 73.09 0.4 Allowed Pre-proline 0 C--O 1.255 1.379 0 C-N-CA 130.678 3.591 . . . . 0.0 116.939 170.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -75.21 11.19 1.56 Allowed 'Trans proline' 0 CA--C 1.51 -0.688 0 C-N-CA 122.709 2.273 . . . . 0.0 113.971 -174.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -62.08 -11.07 12.03 Favored 'General case' 0 N--CA 1.519 3.009 1 C-N-CA 135.796 5.638 . . . . 0.0 113.915 173.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.456 ' CD1' HG11 ' A' ' 52' ' ' VAL . 36.6 m-85 -144.66 138.48 14.55 Favored Pre-proline 0 C--O 1.273 2.294 0 O-C-N 118.752 -2.468 . . . . 0.0 115.458 -172.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -69.54 -19.71 36.8 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 CA-C-O 113.61 -2.746 . . . . 0.0 113.305 167.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 15.1 m -145.02 155.05 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 CA-C-N 122.265 2.302 . . . . 0.0 110.732 -176.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 27.5 m -140.33 139.3 20.45 Favored Pre-proline 0 CA--C 1.602 2.959 0 C-N-CA 126.844 2.058 . . . . 0.0 112.303 -177.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.476 ' HB2' ' CE2' ' A' ' 11' ' ' PHE . 84.1 Cg_endo -67.94 135.61 35.66 Favored 'Trans proline' 0 C--N 1.287 -2.707 1 C-N-CA 126.036 4.491 . . . . 0.0 111.544 172.095 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 34.6 m -125.22 -10.59 5.71 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.188 0 O-C-N 117.756 -3.09 . . . . 0.0 113.367 177.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -157.6 143.48 17.45 Favored 'General case' 0 C--O 1.261 1.679 0 C-N-CA 117.233 -1.787 . . . . 0.0 111.74 -177.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 13.1 tp -74.94 173.87 10.06 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 116.503 -1.713 . . . . 0.0 113.531 169.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -139.03 -42.54 0.47 Allowed 'General case' 0 C--O 1.271 2.201 0 CA-C-O 125.859 2.742 . . . . 0.0 114.747 144.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.5 t -168.05 154.01 7.27 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 113.178 -1.828 . . . . 0.0 114.448 -162.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.742 HG22 ' HB3' ' A' ' 107' ' ' TYR . 65.5 p -132.83 126.07 31.46 Favored 'General case' 0 N--CA 1.501 2.115 1 C-N-CA 132.888 4.475 . . . . 0.0 110.669 173.319 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.561 1.366 0 O-C-N 117.199 -3.438 . . . . 0.0 114.981 -154.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . 0.269 10.9 Cg_endo . . . . . 0 CA--C 1.554 1.504 0 N-CA-C 117.456 2.06 . . . . 0.0 117.456 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -45.08 -35.89 11.04 Favored 'Trans proline' 0 N--CA 1.513 2.662 1 C-N-CA 126.568 4.846 . . . . 0.0 118.022 -175.107 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -148.1 3.87 0.71 Allowed 'General case' 0 CA--C 1.6 2.874 0 O-C-N 120.717 -1.239 . . . . 0.0 113.585 -167.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.368 31.3 m-85 -142.5 147.88 36.74 Favored 'General case' 0 CA--C 1.577 1.985 0 O-C-N 118.765 -2.459 . . . . 0.0 104.839 -162.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.8 p -63.4 163.84 10.11 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 125.044 2.354 . . . . 0.0 108.847 159.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.502 ' HG3' HG12 ' A' ' 127' ' ' VAL . 14.8 tpt180 -60.94 -47.91 84.24 Favored 'General case' 0 C--N 1.403 2.924 0 CA-C-N 112.339 -2.21 . . . . 0.0 113.427 175.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.73 -31.76 69.92 Favored 'General case' 0 CA--C 1.589 2.475 1 C-N-CA 133.549 4.74 . . . . 0.0 110.311 175.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . 0.262 46.8 mt-30 -81.46 -32.53 32.5 Favored 'General case' 0 C--O 1.263 1.814 0 C-N-CA 126.459 1.904 . . . . 0.0 113.592 171.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -79.07 -30.6 44.04 Favored 'General case' 0 C--O 1.267 2.01 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -59.45 -34.05 72.04 Favored 'General case' 0 C--O 1.244 0.787 0 N-CA-C 115.808 1.781 . . . . 0.0 115.808 157.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . 0.317 . . -71.77 -52.45 17.55 Favored 'General case' 0 CA--C 1.596 2.735 0 CA-C-O 117.633 -1.175 . . . . 0.0 113.178 176.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.6 mt -47.69 -41.78 8.57 Favored 'Isoleucine or valine' 0 C--N 1.374 1.654 0 C-N-CA 124.343 1.057 . . . . 0.0 112.266 170.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -82.42 -14.45 55.14 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 120.608 3.559 . . . . 0.0 120.608 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.274 79.7 m-70 -142.6 -10.22 0.82 Allowed 'General case' 0 CA--C 1.578 2.044 0 CA-C-O 114.112 -2.851 . . . . 0.0 116.164 -166.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.4 mm -128.34 113.77 31.4 Favored 'Isoleucine or valine' 0 C--N 1.368 1.371 0 N-CA-C 118.299 2.703 . . . . 0.0 118.299 -168.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 64.8 m -159.87 108.84 1.77 Allowed 'General case' 0 CA--C 1.583 2.243 0 C-N-CA 127.804 2.441 . . . . 0.0 106.066 -176.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.9 tp -67.6 -13.97 62.53 Favored 'General case' 0 C--O 1.269 2.13 0 CA-C-O 113.605 -3.093 . . . . 0.0 112.958 -177.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -158.17 69.22 3.85 Favored Pre-proline 0 CA--C 1.628 3.949 0 N-CA-C 105.109 -2.182 . . . . 0.0 105.109 -177.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.405 ' CB ' ' HD2' ' A' ' 21' ' ' PRO . 2.2 Cg_endo -70.28 169.14 20.28 Favored 'Trans proline' 0 CA--C 1.579 2.758 0 CA-C-N 120.943 1.372 . . . . 0.0 114.062 -161.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.405 ' HD2' ' CB ' ' A' ' 20' ' ' PRO . 35.3 Cg_endo -72.34 176.39 8.7 Favored 'Trans proline' 0 C--O 1.261 1.633 0 C-N-CA 124.782 3.655 . . . . 0.0 111.152 166.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -64.14 140.77 58.9 Favored 'General case' 0 CA--C 1.581 2.16 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 172.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.401 ' C ' ' H ' ' A' ' 25' ' ' ILE . 12.6 m -45.1 -35.85 3.32 Favored 'General case' 0 C--O 1.255 1.345 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.2 p -58.97 1.07 0.07 Allowed 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 129.078 2.951 . . . . 0.0 115.66 175.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.401 ' H ' ' C ' ' A' ' 23' ' ' CYS . 15.7 mm -136.94 -29.23 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.466 -2.279 0 C-N-CA 127.586 2.354 . . . . 0.0 111.114 -177.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.11 -43.04 59.04 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 121.177 1.808 . . . . 0.0 111.558 176.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 39.9 mmm -50.3 -35.89 29.39 Favored 'General case' 0 C--O 1.205 -1.266 0 O-C-N 119.506 -1.996 . . . . 0.0 114.589 167.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -61.97 -22.8 65.95 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 124.705 2.193 . . . . 0.0 115.335 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.5 -24.08 12.17 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-N 111.428 -2.623 . . . . 0.0 118.039 170.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.83 -46.49 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.582 0 CA-C-O 117.234 -1.365 . . . . 0.0 111.234 165.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -80.29 -2.07 43.6 Favored 'General case' 0 CA--C 1.598 2.814 0 CA-C-N 121.214 1.824 . . . . 0.0 115.9 -167.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -95.97 11.21 34.77 Favored 'General case' 0 N--CA 1.521 3.078 0 O-C-N 120.944 -1.097 . . . . 0.0 109.3 165.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -131.39 -34.74 1.37 Allowed 'General case' 0 C--N 1.293 -1.872 0 C-N-CA 130.691 3.596 . . . . 0.0 117.316 -177.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -83.87 168.76 15.79 Favored 'General case' 0 N--CA 1.532 3.655 0 CA-C-N 122.116 2.235 . . . . 0.0 108.754 165.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -14.25 61.88 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 122.91 1.338 . . . . 0.0 112.676 -173.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -153.54 157.24 39.46 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.205 -173.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 85.9 m -69.93 120.11 15.16 Favored 'General case' 0 C--N 1.362 1.151 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.7 tttt -57.56 122.57 13.03 Favored 'General case' 0 CA--C 1.57 1.744 0 C-N-CA 127.264 2.226 . . . . 0.0 113.691 157.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -59.06 -47.21 86.05 Favored 'General case' 0 C--O 1.272 2.255 0 C-N-CA 128.313 2.645 . . . . 0.0 108.519 -170.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -145.11 151.07 37.91 Favored 'General case' 0 C--O 1.194 -1.842 0 C-N-CA 125.66 1.584 . . . . 0.0 108.569 -171.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -154.65 161.11 41.71 Favored 'General case' 0 N--CA 1.415 -2.201 0 C-N-CA 127.574 2.349 . . . . 0.0 108.35 170.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.5 m -131.29 134.39 46.33 Favored 'General case' 0 CA--C 1.478 -1.805 0 C-N-CA 128.118 2.567 . . . . 0.0 111.27 175.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -110.99 111.17 22.09 Favored 'General case' 0 N--CA 1.415 -2.19 1 C-N-CA 133.277 4.631 . . . . 0.0 113.363 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 75.0 mt -72.35 128.45 35.67 Favored 'General case' 0 C--N 1.374 1.643 0 N-CA-C 116.911 2.189 . . . . 0.0 116.911 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -80.59 76.62 7.45 Favored 'General case' 0 N--CA 1.505 2.312 0 CA-C-N 119.679 1.127 . . . . 0.0 111.451 171.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.271 1.2 t -158.05 175.03 14.32 Favored 'General case' 0 C--O 1.255 1.35 0 CA-C-O 125.565 2.602 . . . . 0.0 107.661 -174.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.3 p -115.93 148.96 39.48 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 111.371 -2.65 . . . . 0.0 116.401 -179.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -56.96 -38.97 73.7 Favored 'General case' 0 N--CA 1.5 2.033 0 C-N-CA 127.762 2.425 . . . . 0.0 114.604 -173.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.27 -20.45 63.92 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.86 -0.525 . . . . 0.0 111.615 177.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -72.93 -44.94 60.6 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 126.807 3.194 . . . . 0.0 114.577 175.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.5 t -67.25 -29.01 44.43 Favored 'Isoleucine or valine' 0 C--O 1.267 2.003 0 C-N-CA 127.422 2.289 . . . . 0.0 116.027 174.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 97.7 t -64.89 -30.6 50.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 120.0 1.273 . . . . 0.0 113.823 168.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -68.81 -16.14 63.7 Favored 'General case' 0 CA--C 1.584 2.265 0 O-C-N 119.757 -1.84 . . . . 0.0 114.058 166.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.4 t -79.83 -39.41 19.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 CA-C-N 122.049 2.204 . . . . 0.0 110.224 165.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 58.5 m -57.2 -22.54 41.49 Favored 'General case' 0 N--CA 1.517 2.923 0 N-CA-C 117.775 2.509 . . . . 0.0 117.775 169.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.04 -8.22 45.27 Favored Glycine 0 CA--C 1.546 1.99 1 C-N-CA 131.986 4.612 . . . . 0.0 113.082 176.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -52.35 151.69 3.88 Favored 'General case' 0 N--CA 1.503 2.213 0 CA-C-N 118.597 1.198 . . . . 0.0 112.275 152.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -38.18 148.82 0.04 OUTLIER 'General case' 0 C--N 1.375 1.687 0 CA-C-O 123.614 1.673 . . . . 0.0 114.513 172.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.2 m -79.37 131.96 36.27 Favored 'General case' 0 N--CA 1.499 1.986 0 CA-C-O 125.729 2.68 . . . . 0.0 110.262 171.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 13.6 pt -131.07 -172.06 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 C-N-CA 127.509 2.324 . . . . 0.0 105.523 173.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -142.24 146.11 34.8 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 130.131 3.372 . . . . 0.0 115.452 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 65.9 m -131.06 157.9 76.75 Favored Pre-proline 1 CA--C 1.632 4.099 0 CA-C-O 116.64 -1.648 . . . . 0.0 112.668 -158.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -59.66 -19.02 51.11 Favored 'Trans proline' 0 C--N 1.325 -0.685 1 N-CA-C 124.261 4.677 . . . . 0.0 124.261 172.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -131.79 58.36 1.74 Allowed 'General case' 0 CA--C 1.578 2.026 0 O-C-N 120.268 -1.52 . . . . 0.0 110.654 -168.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -151.46 -0.87 0.34 Allowed 'General case' 0 C--O 1.198 -1.625 0 N-CA-C 119.09 2.996 . . . . 0.0 119.09 -153.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.4 ptt-85 -48.31 -20.78 0.43 Allowed 'General case' 0 CA--C 1.541 0.63 1 C-N-CA 132.118 4.167 . . . . 0.0 115.059 -176.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.6 p -60.64 -25.23 66.15 Favored 'General case' 0 CA--C 1.581 2.135 0 CA-C-N 121.916 2.144 . . . . 0.0 112.872 167.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.302 2.4 pt? -141.32 -16.16 0.84 Allowed 'General case' 0 CA--C 1.589 2.459 0 O-C-N 118.445 -2.659 . . . . 0.0 116.225 -176.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.4 t30 51.49 33.18 9.9 Favored 'General case' 0 CA--C 1.613 3.401 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -168.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -146.54 140.72 26.35 Favored 'General case' 0 C--O 1.299 3.668 0 C-N-CA 123.723 0.809 . . . . 0.0 112.031 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.5 p -142.34 -178.68 5.86 Favored 'General case' 0 CA--C 1.564 1.509 0 CA-C-O 122.8 1.286 . . . . 0.0 111.557 172.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -147.41 147.0 29.79 Favored 'General case' 0 CA--C 1.563 1.467 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 171.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -121.62 155.53 34.9 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 124.363 1.04 . . . . 0.0 113.05 178.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.1 p -71.47 167.47 19.56 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 125.253 2.454 . . . . 0.0 109.12 -167.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 78.4 mtt-85 -92.01 -27.28 17.92 Favored 'General case' 0 N--CA 1.505 2.29 0 CA-C-O 123.78 1.752 . . . . 0.0 111.179 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -143.73 172.98 12.08 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-O 117.632 -1.175 . . . . 0.0 112.341 -176.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . 0.312 42.7 mtm180 -89.35 155.69 19.19 Favored 'General case' 0 N--CA 1.422 -1.826 0 O-C-N 125.01 1.444 . . . . 0.0 107.534 171.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.0 m -141.34 153.11 65.73 Favored Pre-proline 0 CA--C 1.577 2.011 0 C-N-CA 125.925 1.69 . . . . 0.0 107.445 174.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -54.45 146.52 51.84 Favored 'Trans proline' 0 C--N 1.378 2.103 0 C-N-CA 122.419 2.079 . . . . 0.0 112.12 165.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.0 pp -149.55 160.89 43.11 Favored 'General case' 0 N--CA 1.435 -1.187 0 O-C-N 125.247 1.592 . . . . 0.0 114.385 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.2 tp -129.12 106.91 9.17 Favored 'General case' 0 CA--C 1.559 1.304 0 CA-C-O 125.366 2.508 . . . . 0.0 107.299 176.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -76.57 145.07 39.24 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 127.299 2.239 . . . . 0.0 111.26 169.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 48.5 m -136.35 146.64 46.76 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 120.093 1.315 . . . . 0.0 108.221 -169.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 15.4 t70 -147.94 114.98 6.15 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 125.223 1.577 . . . . 0.0 109.882 -152.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 38.0 tp -60.72 94.07 0.03 OUTLIER 'General case' 0 C--N 1.39 2.362 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 170.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.3 pt -61.67 -10.02 3.68 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.428 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 174.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.284 52.2 t30 -112.14 59.89 0.55 Allowed Pre-proline 0 C--N 1.292 -1.917 0 C-N-CA 126.069 1.748 . . . . 0.0 113.717 174.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -57.54 -16.13 22.74 Favored 'Trans proline' 0 N--CA 1.498 1.774 0 CA-C-N 123.727 2.367 . . . . 0.0 113.678 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -44.31 -16.15 0.05 OUTLIER Glycine 0 C--N 1.361 1.955 0 O-C-N 117.976 -2.953 . . . . 0.0 117.608 168.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -142.78 173.49 11.49 Favored 'General case' 1 CA--C 1.631 4.089 0 O-C-N 125.393 1.29 . . . . 0.0 113.84 -162.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -156.44 -19.65 0.1 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 125.238 1.415 . . . . 0.0 114.484 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -60.35 128.78 38.4 Favored 'General case' 0 CA--C 1.599 2.832 0 CA-C-N 120.675 1.579 . . . . 0.0 115.044 155.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 15.6 pt -44.26 -36.01 1.17 Allowed 'Isoleucine or valine' 0 C--O 1.273 2.338 0 CA-C-O 114.438 -2.696 . . . . 0.0 113.747 161.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.5 m -65.13 -5.5 6.82 Favored 'General case' 0 N--CA 1.507 2.425 0 O-C-N 127.626 3.079 . . . . 0.0 115.286 174.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -140.75 -7.71 1.09 Allowed 'General case' 0 CA--C 1.588 2.408 0 N-CA-C 119.056 2.984 . . . . 0.0 119.056 172.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 74.1 m -64.35 144.8 56.9 Favored 'General case' 0 C--O 1.259 1.555 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 169.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -143.8 152.53 41.33 Favored 'General case' 0 C--N 1.387 2.239 0 N-CA-C 105.951 -1.87 . . . . 0.0 105.951 177.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' A' ' 84' ' ' ASP . 19.6 m-85 -134.41 168.4 19.0 Favored 'General case' 0 N--CA 1.513 2.701 0 CA-C-N 120.047 1.294 . . . . 0.0 113.404 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -147.56 149.7 33.08 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 127.332 2.253 . . . . 0.0 111.722 -176.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -76.39 143.73 40.48 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 125.477 1.511 . . . . 0.0 112.792 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -145.28 92.0 5.72 Favored Pre-proline 0 N--CA 1.509 2.521 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 178.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -70.26 170.86 16.16 Favored 'Trans proline' 0 C--O 1.264 1.788 1 C-N-CA 126.623 4.882 . . . . 0.0 110.946 176.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 178.53 176.59 46.55 Favored Glycine 0 CA--C 1.477 -2.287 0 C-N-CA 128.948 3.166 . . . . 0.0 108.34 172.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -144.15 97.44 3.05 Favored 'General case' 0 CA--C 1.563 1.46 0 CA-C-O 115.384 -2.246 . . . . 0.0 113.766 171.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 91.7 mtm-85 -134.13 160.28 38.28 Favored 'General case' 0 N--CA 1.511 2.623 0 C-N-CA 129.814 3.246 . . . . 0.0 112.178 -163.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . 0.291 29.4 m-85 -72.23 158.39 35.94 Favored 'General case' 0 CA--C 1.585 2.319 0 N-CA-C 106.703 -1.592 . . . . 0.0 106.703 164.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -141.77 166.12 25.61 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 113.031 -1.895 . . . . 0.0 112.919 -176.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.3 t -141.18 138.06 33.62 Favored 'Isoleucine or valine' 0 C--O 1.255 1.368 0 CA-C-N 114.503 -1.226 . . . . 0.0 113.238 -169.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.2 m -141.04 160.16 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.493 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -169.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -101.99 148.47 25.32 Favored 'General case' 0 C--O 1.269 2.09 0 C-N-CA 116.889 -1.924 . . . . 0.0 109.969 160.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 85.6 m -126.33 168.43 14.16 Favored 'General case' 0 N--CA 1.399 -3.013 0 O-C-N 118.746 -2.471 . . . . 0.0 104.674 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -144.45 169.22 18.36 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 113.843 -1.526 . . . . 0.0 112.738 -176.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . 0.281 31.4 t30 -65.64 147.42 53.42 Favored 'General case' 0 CA--C 1.552 1.057 0 O-C-N 117.738 -3.101 . . . . 0.0 112.454 167.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.98 136.01 2.23 Favored 'General case' 0 CA--C 1.578 2.02 0 C-N-CA 131.246 3.819 . . . . 0.0 115.917 165.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -50.25 146.42 8.69 Favored Pre-proline 0 N--CA 1.496 1.866 0 C-N-CA 127.563 2.345 . . . . 0.0 108.166 169.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -49.81 -28.28 17.56 Favored 'Trans proline' 0 N--CA 1.439 -1.714 0 C-N-CA 124.533 3.488 . . . . 0.0 116.304 175.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 69.7 mtt85 -130.5 -36.77 1.43 Allowed 'General case' 0 CA--C 1.571 1.76 0 CA-C-N 120.554 1.524 . . . . 0.0 112.965 -164.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -94.47 141.23 28.83 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 124.607 1.192 . . . . 0.0 108.61 -171.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.8 m 40.54 69.87 1.74 Allowed Pre-proline 0 C--N 1.31 -1.149 0 N-CA-C 119.669 3.211 . . . . 0.0 119.669 178.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -75.11 -27.89 9.45 Favored 'Trans proline' 0 CA--C 1.557 1.659 0 N-CA-C 119.389 2.803 . . . . 0.0 119.389 -177.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.54 -13.8 54.39 Favored 'General case' 0 C--O 1.211 -0.93 0 C-N-CA 124.003 0.921 . . . . 0.0 112.019 -168.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -89.92 113.67 57.91 Favored Pre-proline 0 C--N 1.289 -2.023 0 C-N-CA 126.834 2.054 . . . . 0.0 106.874 174.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -69.28 -20.3 37.27 Favored 'Trans proline' 0 CA--C 1.575 2.542 0 CA-C-N 120.74 1.3 . . . . 0.0 108.932 -174.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.2 m -151.71 160.94 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 127.987 2.515 . . . . 0.0 104.53 -172.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 20.6 m -145.87 141.2 16.43 Favored Pre-proline 0 C--N 1.347 0.492 0 C-N-CA 130.13 3.372 . . . . 0.0 115.353 -171.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.86 143.59 45.94 Favored 'Trans proline' 0 C--N 1.362 1.273 1 C-N-CA 125.339 4.026 . . . . 0.0 109.043 178.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.502 HG12 ' HG3' ' A' ' 7' ' ' ARG . 3.0 m -142.56 -19.11 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.612 3.357 0 CA-C-N 120.736 1.607 . . . . 0.0 112.542 -169.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -148.87 139.73 22.87 Favored 'General case' 0 CA--C 1.592 2.578 0 O-C-N 124.317 1.01 . . . . 0.0 110.698 176.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 24.3 tp -106.03 122.53 46.34 Favored 'General case' 0 N--CA 1.508 2.458 0 CA-C-O 115.75 -2.071 . . . . 0.0 108.602 170.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -95.44 -50.5 4.97 Favored 'General case' 0 N--CA 1.423 -1.793 0 O-C-N 126.761 2.538 . . . . 0.0 117.409 177.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . 0.299 9.1 t -162.61 167.44 23.24 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-N 120.176 1.353 . . . . 0.0 107.634 -176.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 19.0 p -133.07 129.62 38.27 Favored 'General case' 0 CA--C 1.591 2.529 0 C-N-CA 128.617 2.767 . . . . 0.0 112.392 173.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.254 0.0 OUTLIER . . . . . 0 C--N 1.401 2.807 0 O-C-N 118.857 -2.402 . . . . 0.0 109.482 -163.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo . . . . . 0 CA--C 1.548 1.178 0 N-CA-C 115.642 1.362 . . . . 0.0 115.642 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 99.6 Cg_exo -50.31 -31.37 29.51 Favored 'Trans proline' 0 N--CA 1.533 3.819 0 C-N-CA 124.398 3.399 . . . . 0.0 115.495 177.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.3 13.9 pt20 -145.28 -2.61 0.77 Allowed 'General case' 0 C--O 1.257 1.48 0 CA-C-N 121.45 1.932 . . . . 0.0 109.376 -176.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -133.44 169.88 16.31 Favored 'General case' 0 N--CA 1.504 2.258 0 CA-C-N 122.259 2.3 . . . . 0.0 111.168 -170.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.5 p -80.96 177.88 8.77 Favored 'General case' 0 N--CA 1.504 2.271 0 CA-C-N 120.79 1.632 . . . . 0.0 107.679 154.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -67.63 -35.66 79.35 Favored 'General case' 0 C--O 1.263 1.81 0 CA-C-N 114.894 -1.048 . . . . 0.0 112.728 177.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . 0.253 . . -77.97 -32.56 51.45 Favored 'General case' 0 C--N 1.371 1.52 0 O-C-N 124.758 1.286 . . . . 0.0 111.831 179.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -64.43 -46.44 83.19 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 127.364 2.266 . . . . 0.0 109.66 169.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -68.83 -33.89 74.58 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 118.2 -2.812 . . . . 0.0 110.467 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -68.2 -34.08 75.6 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 117.457 -1.259 . . . . 0.0 113.858 176.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.4 -73.54 0.04 OUTLIER 'General case' 0 N--CA 1.512 2.633 0 C-N-CA 125.206 1.402 . . . . 0.0 111.011 164.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.3 mt -46.06 -41.08 3.93 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 O-C-N 127.65 3.094 . . . . 0.0 109.312 -168.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -81.16 -17.99 47.88 Favored 'General case' 0 C--O 1.274 2.351 0 O-C-N 125.013 1.446 . . . . 0.0 113.274 -174.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.406 ' O ' HD13 ' A' ' 16' ' ' ILE . 76.2 m-70 -156.95 -11.05 0.09 Allowed 'General case' 0 C--O 1.189 -2.106 0 N-CA-C 119.296 3.073 . . . . 0.0 119.296 -156.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.406 HD13 ' O ' ' A' ' 15' ' ' HIS . 40.4 mm -132.33 121.65 46.34 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.506 0 O-C-N 118.058 -2.901 . . . . 0.0 104.534 -179.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.3 m -158.21 129.83 6.71 Favored 'General case' 0 N--CA 1.412 -2.357 0 C-N-CA 129.305 3.042 . . . . 0.0 108.88 168.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.296 21.7 tp -73.68 -33.77 64.59 Favored 'General case' 0 N--CA 1.534 3.734 0 CA-C-N 114.103 -1.408 . . . . 0.0 112.211 -172.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . 0.255 9.6 p-10 -134.68 76.56 60.22 Favored Pre-proline 0 N--CA 1.498 1.956 0 N-CA-C 114.247 1.202 . . . . 0.0 114.247 167.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.85 164.25 35.08 Favored 'Trans proline' 0 N--CA 1.52 3.031 0 C-N-CA 117.516 -1.189 . . . . 0.0 113.603 -169.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.88 176.88 6.28 Favored 'Trans proline' 0 C--O 1.198 -1.492 0 O-C-N 125.269 2.194 . . . . 0.0 109.324 169.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -65.4 160.45 21.93 Favored 'General case' 0 C--N 1.361 1.068 0 O-C-N 116.51 -3.869 . . . . 0.0 112.364 172.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 93.9 m -58.63 -38.01 77.13 Favored 'General case' 0 C--O 1.208 -1.132 0 CA-C-N 113.213 -1.812 . . . . 0.0 115.86 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.6 p -34.74 -32.61 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 120.014 3.338 . . . . 0.0 120.014 160.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.7 mm -116.51 -36.21 1.99 Allowed 'Isoleucine or valine' 0 C--O 1.265 1.894 0 CA-C-O 114.832 -2.509 . . . . 0.0 113.11 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.81 -20.84 64.33 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-N 124.203 3.183 . . . . 0.0 113.678 175.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 47.0 mmm -69.57 -28.26 65.83 Favored 'General case' 0 N--CA 1.414 -2.232 0 C-N-CA 119.089 -1.045 . . . . 0.0 113.363 176.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -58.92 -37.02 75.73 Favored 'General case' 0 N--CA 1.512 2.645 0 C-N-CA 128.005 2.522 . . . . 0.0 111.674 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.401 . . -49.65 -27.74 5.03 Favored 'General case' 0 C--N 1.364 1.207 0 CA-C-N 121.217 1.826 . . . . 0.0 111.965 175.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . 0.265 0.1 OUTLIER -109.32 -61.87 2.36 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.377 0 O-C-N 120.444 -1.41 . . . . 0.0 109.022 170.339 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -65.62 -7.38 14.75 Favored 'General case' 0 N--CA 1.414 -2.256 0 CA-C-N 124.032 3.105 . . . . 0.0 117.322 -169.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -116.92 16.66 15.14 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 118.074 -2.892 . . . . 0.0 109.353 175.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -137.85 -36.33 0.62 Allowed 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 126.727 2.011 . . . . 0.0 111.954 -169.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -95.76 163.33 13.22 Favored 'General case' 0 N--CA 1.414 -2.273 0 C-N-CA 127.42 2.288 . . . . 0.0 111.962 169.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -68.07 -20.08 64.93 Favored 'General case' 0 CA--C 1.569 1.698 0 O-C-N 119.318 -2.114 . . . . 0.0 114.569 -158.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -145.34 163.19 35.31 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 128.642 2.777 . . . . 0.0 114.859 -178.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.6 m -63.04 121.17 12.93 Favored 'General case' 0 CA--C 1.577 2.016 0 O-C-N 119.419 -2.051 . . . . 0.0 116.322 168.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.1 tttt -70.8 139.59 51.0 Favored 'General case' 1 N--CA 1.562 5.169 0 C-N-CA 125.37 1.468 . . . . 0.0 109.418 159.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -72.22 -42.76 65.37 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-O 117.673 -1.156 . . . . 0.0 113.652 -177.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -148.61 158.82 44.39 Favored 'General case' 0 CA--C 1.561 1.385 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -168.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -169.76 144.92 2.94 Favored 'General case' 0 C--O 1.199 -1.599 0 O-C-N 120.078 -1.639 . . . . 0.0 110.912 -177.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.4 m -111.78 145.45 39.37 Favored 'General case' 0 C--O 1.201 -1.478 0 C-N-CA 126.408 1.883 . . . . 0.0 110.691 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -133.11 143.72 49.47 Favored 'General case' 0 N--CA 1.51 2.533 0 C-N-CA 127.13 2.172 . . . . 0.0 108.871 177.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.0 mt -107.97 139.97 41.8 Favored 'General case' 0 C--N 1.387 2.231 0 O-C-N 124.633 1.208 . . . . 0.0 109.827 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -90.06 86.39 6.56 Favored 'General case' 0 C--N 1.366 1.307 0 CA-C-O 123.337 1.541 . . . . 0.0 109.33 172.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.2 t -160.25 -167.72 2.0 Allowed 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 112.436 -2.166 . . . . 0.0 109.296 -170.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . 0.252 69.0 p -136.0 158.55 44.13 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.95 1.7 . . . . 0.0 108.8 -165.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -71.23 -55.88 7.19 Favored 'General case' 0 CA--C 1.579 2.077 0 C-N-CA 116.127 -2.229 . . . . 0.0 112.841 -165.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.22 -21.33 59.36 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.114 1.366 . . . . 0.0 112.282 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -65.55 -35.12 79.91 Favored 'General case' 0 CA--C 1.589 2.461 0 CA-C-O 115.56 -2.162 . . . . 0.0 114.284 161.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.0 t -84.82 -26.96 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.926 0 CA-C-O 114.756 -2.545 . . . . 0.0 107.406 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 97.4 t -59.29 -40.69 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.936 0 CA-C-N 120.784 1.629 . . . . 0.0 110.183 166.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -68.8 -9.72 52.66 Favored 'General case' 0 CA--C 1.619 3.622 1 O-C-N 115.432 -4.543 . . . . 0.0 110.202 -178.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.7 t -89.97 -31.68 5.33 Favored 'Isoleucine or valine' 0 C--N 1.394 2.541 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 173.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 78.4 m -61.19 -25.26 66.91 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-O 115.919 -1.991 . . . . 0.0 112.006 155.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -93.73 -16.51 45.13 Favored Glycine 0 C--O 1.273 2.585 0 O-C-N 128.406 3.566 . . . . 0.0 114.634 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -61.27 162.55 7.48 Favored 'General case' 0 CA--C 1.59 2.505 0 N-CA-C 102.648 -3.093 . . . . 0.0 102.648 160.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . 0.255 52.9 mt-30 -57.25 147.74 24.52 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 114.458 -2.687 . . . . 0.0 114.256 -177.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 m -64.85 152.0 44.05 Favored 'General case' 0 C--O 1.269 2.098 0 N-CA-C 117.118 2.266 . . . . 0.0 117.118 173.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.2 pt -151.04 178.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.258 0 C-N-CA 125.947 1.699 . . . . 0.0 107.426 169.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.4 ptt-85 -134.53 144.29 47.92 Favored 'General case' 0 C--N 1.361 1.077 1 O-C-N 115.489 -4.507 . . . . 0.0 111.156 172.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 57.5 m -113.5 170.53 5.24 Favored Pre-proline 0 CA--C 1.61 3.27 0 N-CA-C 116.693 2.108 . . . . 0.0 116.693 -162.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -83.53 -1.54 10.19 Favored 'Trans proline' 0 N--CA 1.529 3.606 0 C-N-CA 125.286 3.99 . . . . 0.0 115.535 -173.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -132.87 22.3 4.2 Favored 'General case' 0 C--N 1.286 -2.19 0 C-N-CA 124.022 0.929 . . . . 0.0 109.223 -175.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -129.46 8.21 5.42 Favored 'General case' 0 N--CA 1.513 2.691 0 C-N-CA 126.281 1.832 . . . . 0.0 115.342 -158.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.8 ptt-85 -43.56 -36.42 2.08 Favored 'General case' 0 C--O 1.217 -0.623 0 C-N-CA 127.407 2.283 . . . . 0.0 115.561 -177.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.0 p -51.8 -38.71 56.8 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 128.689 2.795 . . . . 0.0 111.913 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.362 2.3 pt? -128.5 -10.1 5.11 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 113.713 -3.042 . . . . 0.0 114.306 176.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.9 t30 57.17 25.87 11.48 Favored 'General case' 0 N--CA 1.434 -1.225 0 O-C-N 126.64 2.462 . . . . 0.0 115.021 167.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -152.31 136.59 16.65 Favored 'General case' 0 N--CA 1.438 -1.033 0 O-C-N 117.725 -3.109 . . . . 0.0 106.457 -175.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.1 p -155.66 178.44 10.25 Favored 'General case' 0 C--N 1.365 1.276 0 CA-C-O 117.152 -1.404 . . . . 0.0 110.655 -172.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -152.78 154.52 35.35 Favored 'General case' 0 N--CA 1.408 -2.535 0 CA-C-O 124.488 2.09 . . . . 0.0 109.383 175.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -124.88 153.68 42.24 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 123.613 1.673 . . . . 0.0 111.323 173.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 94.7 p -65.9 164.8 14.26 Favored 'General case' 0 N--CA 1.515 2.822 0 CA-C-N 114.196 -1.366 . . . . 0.0 113.973 -175.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 47.6 mtt-85 -101.47 -18.01 16.18 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 114.522 -1.217 . . . . 0.0 113.988 -172.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -138.68 168.76 19.1 Favored 'General case' 0 CA--C 1.605 3.06 0 O-C-N 127.252 2.845 . . . . 0.0 111.31 172.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.4 mtm180 -67.82 148.85 50.65 Favored 'General case' 0 C--O 1.2 -1.523 0 O-C-N 118.111 -2.868 . . . . 0.0 112.513 163.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.2 m -131.09 153.24 81.69 Favored Pre-proline 0 N--CA 1.512 2.627 0 O-C-N 118.61 -2.557 . . . . 0.0 112.981 173.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -70.4 161.57 45.53 Favored 'Trans proline' 0 CA--C 1.483 -2.039 0 CA-C-N 124.202 2.536 . . . . 0.0 112.795 169.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 pp -155.67 176.28 12.82 Favored 'General case' 0 CA--C 1.562 1.434 0 O-C-N 126.77 2.543 . . . . 0.0 115.839 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 44.2 tp -132.22 141.72 49.16 Favored 'General case' 0 CA--C 1.576 1.974 0 C-N-CA 128.317 2.647 . . . . 0.0 110.44 168.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -120.46 156.58 31.17 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 105.885 -1.894 . . . . 0.0 105.885 162.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 91.2 m -129.59 144.5 51.3 Favored 'General case' 0 CA--C 1.487 -1.442 0 CA-C-N 113.886 -1.506 . . . . 0.0 107.285 -170.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -129.25 118.46 22.38 Favored 'General case' 0 C--O 1.274 2.351 0 C-N-CA 127.274 2.23 . . . . 0.0 111.912 -169.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.6 tp -68.61 107.6 3.02 Favored 'General case' 0 C--O 1.189 -2.096 0 CA-C-N 121.076 1.762 . . . . 0.0 111.025 169.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.4 pt -80.99 9.74 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.581 2.162 0 CA-C-O 122.816 1.294 . . . . 0.0 111.266 -175.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -130.52 66.42 78.4 Favored Pre-proline 0 N--CA 1.533 3.725 0 O-C-N 120.094 -1.629 . . . . 0.0 111.542 175.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -59.38 -17.69 41.74 Favored 'Trans proline' 0 N--CA 1.509 2.441 0 C-N-CA 124.447 3.431 . . . . 0.0 118.821 -154.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -103.34 -15.27 23.76 Favored Glycine 0 N--CA 1.511 3.698 1 C-N-CA 131.561 4.41 . . . . 0.0 116.211 174.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.29 149.66 28.15 Favored 'General case' 1 N--CA 1.544 4.226 0 CA-C-N 121.304 2.552 . . . . 0.0 112.191 160.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -144.59 3.33 1.12 Allowed 'General case' 0 N--CA 1.425 -1.722 0 C-N-CA 127.336 2.254 . . . . 0.0 110.958 -172.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -127.07 129.07 47.29 Favored 'General case' 0 N--CA 1.504 2.251 0 C-N-CA 129.383 3.073 . . . . 0.0 111.493 175.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 29.9 pt -56.28 -14.92 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 172.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.0 m -55.97 -14.97 2.86 Favored 'General case' 0 CA--C 1.586 2.334 1 O-C-N 114.846 -4.909 . . . . 0.0 115.47 161.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -148.71 -4.45 0.44 Allowed 'General case' 0 CA--C 1.596 2.724 0 O-C-N 120.297 -1.502 . . . . 0.0 111.535 177.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 72.4 m -66.38 133.55 50.72 Favored 'General case' 0 CA--C 1.583 2.243 0 O-C-N 119.38 -2.075 . . . . 0.0 113.261 171.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -130.65 163.7 26.62 Favored 'General case' 0 CA--C 1.574 1.888 0 O-C-N 120.556 -1.34 . . . . 0.0 109.855 173.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -133.22 163.2 29.81 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.668 1.987 . . . . 0.0 112.766 -167.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -143.62 -175.87 4.74 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 116.991 -1.48 . . . . 0.0 111.184 159.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -116.59 140.34 49.5 Favored 'General case' 0 N--CA 1.52 3.067 0 C-N-CA 127.538 2.335 . . . . 0.0 108.644 -166.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -131.82 83.63 56.73 Favored Pre-proline 0 C--N 1.274 -2.714 0 CA-C-N 113.934 -1.484 . . . . 0.0 114.997 162.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -56.46 142.36 89.38 Favored 'Trans proline' 0 C--N 1.382 2.298 1 C-N-CA 125.73 4.287 . . . . 0.0 114.425 168.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -168.45 -164.24 23.81 Favored Glycine 0 C--O 1.203 -1.791 0 O-C-N 125.794 1.934 . . . . 0.0 111.989 -178.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -160.32 104.45 1.45 Allowed 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 116.7 -1.619 . . . . 0.0 108.939 -166.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 39.9 mtm-85 -141.13 169.88 16.78 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 116.304 1.965 . . . . 0.0 116.304 -170.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -73.28 166.08 23.84 Favored 'General case' 0 N--CA 1.538 3.957 0 CA-C-N 112.304 -2.226 . . . . 0.0 111.479 156.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.423 ' HB3' HG22 ' A' ' 132' ' ' THR . 21.1 p90 -148.01 171.95 15.0 Favored 'General case' 0 C--O 1.206 -1.196 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 175.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.8 t -138.1 119.5 17.37 Favored 'Isoleucine or valine' 0 C--O 1.305 3.987 1 C-N-CA 132.812 4.445 . . . . 0.0 109.797 -171.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.8 m -129.41 165.48 29.28 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.412 0 C-N-CA 126.761 2.024 . . . . 0.0 111.257 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -120.25 152.26 38.01 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 117.715 -3.116 . . . . 0.0 111.637 165.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 74.4 m -142.5 157.76 44.4 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 126.492 2.37 . . . . 0.0 111.554 -163.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -150.15 -179.77 7.45 Favored 'General case' 0 CA--C 1.585 2.309 0 CA-C-N 113.16 -1.836 . . . . 0.0 112.574 -170.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -67.06 148.3 52.08 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 123.417 0.687 . . . . 0.0 109.828 175.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -52.21 156.53 1.63 Allowed 'General case' 0 N--CA 1.495 1.819 0 CA-C-O 127.743 3.64 . . . . 0.0 109.25 178.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -62.14 144.16 94.63 Favored Pre-proline 0 CA--C 1.599 2.863 0 O-C-N 118.676 -2.515 . . . . 0.0 109.159 161.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -54.41 -19.09 16.32 Favored 'Trans proline' 0 N--CA 1.534 3.877 0 CA-C-O 111.32 -3.7 . . . . 0.0 116.517 172.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -139.49 -23.54 0.88 Allowed 'General case' 0 N--CA 1.516 2.84 1 CA-C-N 128.244 5.02 . . . . 0.0 115.31 172.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -75.35 146.38 40.95 Favored 'General case' 0 C--N 1.406 3.055 0 O-C-N 120.659 -1.275 . . . . 0.0 110.427 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.4 m 44.55 66.57 4.88 Favored Pre-proline 0 N--CA 1.506 2.351 0 N-CA-C 116.834 2.161 . . . . 0.0 116.834 170.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.26 -12.02 25.18 Favored 'Trans proline' 0 N--CA 1.5 1.881 0 N-CA-C 121.097 3.46 . . . . 0.0 121.097 -170.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -70.37 -21.86 62.83 Favored 'General case' 0 CA--C 1.574 1.879 0 CA-C-O 121.495 0.664 . . . . 0.0 111.448 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -110.33 95.59 22.86 Favored Pre-proline 0 C--O 1.262 1.763 0 O-C-N 117.65 -3.156 . . . . 0.0 111.345 -171.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -58.68 -24.51 71.19 Favored 'Trans proline' 0 N--CA 1.443 -1.478 0 C-N-CA 124.35 3.366 . . . . 0.0 116.905 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 35.0 m -128.2 144.76 36.78 Favored 'Isoleucine or valine' 0 C--N 1.374 1.661 0 O-C-N 126.227 2.204 . . . . 0.0 111.974 169.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 3.3 m -148.5 154.59 41.58 Favored Pre-proline 0 N--CA 1.519 3.007 0 C-N-CA 127.321 2.249 . . . . 0.0 111.041 -169.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -72.68 144.53 39.78 Favored 'Trans proline' 1 CA--C 1.429 -4.737 0 O-C-N 128.547 3.92 . . . . 0.0 110.705 178.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 19.1 m -131.18 -15.73 1.57 Allowed 'Isoleucine or valine' 0 CA--C 1.586 2.332 0 O-C-N 125.675 1.859 . . . . 0.0 112.288 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -153.79 155.49 35.94 Favored 'General case' 0 N--CA 1.505 2.277 2 O-C-N 116.231 -4.043 . . . . 0.0 119.762 -174.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 15.4 tp -138.43 142.0 39.52 Favored 'General case' 0 N--CA 1.506 2.332 0 N-CA-C 105.162 -2.162 . . . . 0.0 105.162 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -122.82 -34.12 3.26 Favored 'General case' 0 CA--C 1.576 1.954 0 N-CA-C 119.061 2.985 . . . . 0.0 119.061 -170.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.2 t -160.61 170.99 19.73 Favored 'General case' 0 CA--C 1.562 1.438 0 CA-C-N 113.323 -1.762 . . . . 0.0 111.754 -170.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.423 HG22 ' HB3' ' A' ' 107' ' ' TYR . 82.3 p -144.39 141.78 29.91 Favored 'General case' 0 N--CA 1.491 1.581 1 C-N-CA 133.386 4.674 . . . . 0.0 116.508 155.794 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.501 2.101 0 CA-C-N 122.406 2.366 . . . . 0.0 108.519 -153.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo . . . . . 0 N--CA 1.492 1.441 0 CA-C-O 117.545 -1.106 . . . . 0.0 109.795 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -55.37 -28.86 65.36 Favored 'Trans proline' 0 CA--C 1.551 1.342 1 C-N-CA 129.84 7.027 . . . . 0.0 120.926 -175.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.336 4.5 pt20 -145.51 2.91 0.98 Allowed 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 176.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -114.23 171.96 7.3 Favored 'General case' 0 CA--C 1.589 2.446 0 O-C-N 119.811 -1.805 . . . . 0.0 111.823 171.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.0 p -91.11 158.7 16.5 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 158.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -60.76 -44.08 97.19 Favored 'General case' 0 C--N 1.367 1.343 0 O-C-N 117.421 -3.299 . . . . 0.0 112.063 -176.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.49 -38.42 53.86 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 128.249 2.619 . . . . 0.0 115.898 168.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -68.08 -50.86 52.38 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 126.216 1.807 . . . . 0.0 110.73 175.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -68.98 -34.17 74.87 Favored 'General case' 0 C--N 1.371 1.521 0 CA-C-N 114.077 -1.419 . . . . 0.0 110.801 -173.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -49.98 -55.61 13.91 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.688 1.195 . . . . 0.0 112.215 166.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.28 -44.14 80.05 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 128.94 2.896 . . . . 0.0 111.452 -177.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.2 mt -62.75 -26.97 42.07 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.434 0 CA-C-O 122.825 1.298 . . . . 0.0 112.302 176.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -82.47 -29.85 30.34 Favored 'General case' 0 N--CA 1.486 1.363 1 CA-C-O 111.311 -4.185 . . . . 0.0 116.423 170.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -144.22 -6.69 0.73 Allowed 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 118.886 2.921 . . . . 0.0 118.886 -165.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 8.6 mm -135.73 107.35 7.1 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 C-N-CA 127.145 2.178 . . . . 0.0 109.755 -171.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 m -152.87 110.89 3.63 Favored 'General case' 0 CA--C 1.566 1.576 0 C-N-CA 129.099 2.96 . . . . 0.0 109.165 -174.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.3 tp -59.93 -36.63 77.44 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 123.358 2.799 . . . . 0.0 113.999 -175.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -144.42 48.74 0.91 Allowed Pre-proline 0 CA--C 1.574 1.884 0 C-N-CA 128.456 2.702 . . . . 0.0 108.59 -157.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -72.22 158.76 51.27 Favored 'Trans proline' 0 N--CA 1.435 -1.92 0 C-N-CA 122.36 2.04 . . . . 0.0 115.269 -167.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -68.67 176.34 6.03 Favored 'Trans proline' 0 CA--C 1.574 2.478 1 C-N-CA 125.59 4.193 . . . . 0.0 109.246 170.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -56.85 155.59 7.7 Favored 'General case' 1 N--CA 1.552 4.63 0 CA-C-N 114.117 -1.401 . . . . 0.0 113.291 162.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 62.3 m -54.03 -32.35 54.07 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 128.062 2.545 . . . . 0.0 116.179 169.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 45.3 p -37.99 -24.28 0.01 OUTLIER 'General case' 0 CA--C 1.588 2.435 0 CA-C-N 123.574 2.897 . . . . 0.0 114.435 160.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 37.5 mm -128.92 -35.46 0.69 Allowed 'Isoleucine or valine' 0 C--O 1.252 1.207 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 -166.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.16 -33.5 75.9 Favored 'General case' 0 CA--C 1.578 2.045 0 CA-C-O 115.702 -2.094 . . . . 0.0 110.832 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 58.6 mmm -73.44 -19.37 60.98 Favored 'General case' 0 C--O 1.257 1.466 0 O-C-N 128.012 3.32 . . . . 0.0 109.047 -177.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.33 -32.1 73.43 Favored 'General case' 0 C--N 1.404 2.941 0 CA-C-N 122.377 2.353 . . . . 0.0 111.057 170.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.84 -24.62 1.04 Allowed 'General case' 0 N--CA 1.443 -0.819 1 O-C-N 115.925 -4.234 . . . . 0.0 121.412 169.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -121.84 -38.34 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.422 -1.853 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 173.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -76.38 -0.42 22.66 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 116.66 -3.775 . . . . 0.0 119.652 -176.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -121.74 -4.49 9.19 Favored 'General case' 0 CA--C 1.598 2.821 0 N-CA-C 116.985 2.217 . . . . 0.0 116.985 166.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -77.18 -27.43 53.63 Favored 'General case' 0 C--O 1.211 -0.968 0 O-C-N 126.83 2.582 . . . . 0.0 112.859 164.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 61.5 mtt85 -135.7 165.51 25.4 Favored 'General case' 0 C--N 1.405 2.982 0 O-C-N 118.61 -2.557 . . . . 0.0 110.597 -167.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 -54.06 -29.74 45.29 Favored 'General case' 0 CA--C 1.487 -1.466 0 N-CA-C 120.985 3.698 . . . . 0.0 120.985 -171.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -137.57 157.17 47.09 Favored 'General case' 0 N--CA 1.518 2.963 1 C-N-CA 131.988 4.115 . . . . 0.0 113.291 -177.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.2 m -42.96 113.01 0.42 Allowed 'General case' 0 C--N 1.363 1.178 0 N-CA-C 116.447 2.018 . . . . 0.0 116.447 157.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -53.82 129.0 32.1 Favored 'General case' 0 C--O 1.181 -2.52 0 C-N-CA 128.467 2.707 . . . . 0.0 111.173 154.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -79.25 -31.79 43.59 Favored 'General case' 0 N--CA 1.41 -2.474 0 CA-C-N 121.838 2.108 . . . . 0.0 112.976 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -144.51 156.69 44.29 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 104.751 -2.315 . . . . 0.0 104.751 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -162.12 147.0 12.68 Favored 'General case' 0 CA--C 1.559 1.292 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 170.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.7 m -119.42 130.32 55.22 Favored 'General case' 0 C--N 1.372 1.587 0 C-N-CA 126.471 1.909 . . . . 0.0 107.845 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -118.96 133.46 55.81 Favored 'General case' 0 CA--C 1.569 1.702 0 C-N-CA 130.438 3.495 . . . . 0.0 114.865 174.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.0 mt -110.23 142.43 41.8 Favored 'General case' 0 CA--C 1.596 2.72 0 CA-C-N 123.137 2.699 . . . . 0.0 113.022 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -98.07 68.85 2.01 Favored 'General case' 0 N--CA 1.509 2.477 0 CA-C-O 122.107 0.956 . . . . 0.0 112.558 -174.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.3 t -142.68 158.68 43.4 Favored 'General case' 0 CA--C 1.568 1.661 0 C-N-CA 126.761 2.024 . . . . 0.0 112.806 171.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . 0.292 42.5 p -71.45 147.88 47.41 Favored 'General case' 0 C--O 1.167 -3.279 0 N-CA-C 117.964 2.579 . . . . 0.0 117.964 173.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -54.03 -41.16 67.72 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 118.156 -0.926 . . . . 0.0 111.845 -172.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.71 -20.97 57.99 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 127.418 2.287 . . . . 0.0 116.095 -176.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -71.94 -39.88 69.13 Favored 'General case' 0 C--O 1.257 1.483 0 CA-C-O 114.996 -2.431 . . . . 0.0 108.745 166.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.36 -30.38 49.63 Favored 'Isoleucine or valine' 0 C--O 1.17 -3.107 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 164.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.6 t -60.0 -38.77 78.06 Favored 'Isoleucine or valine' 0 C--O 1.271 2.217 0 C-N-CA 117.246 -1.781 . . . . 0.0 113.01 175.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -61.95 -26.43 68.19 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-O 116.461 -1.733 . . . . 0.0 115.204 170.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.8 t -66.74 -42.1 88.95 Favored 'Isoleucine or valine' 0 C--N 1.372 1.549 0 O-C-N 125.509 1.756 . . . . 0.0 110.606 167.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 84.1 m -62.56 -34.3 76.68 Favored 'General case' 0 C--N 1.371 1.525 0 C-N-CA 116.585 -2.046 . . . . 0.0 108.903 174.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.69 -20.94 53.89 Favored Glycine 1 CA--C 1.587 4.59 0 C-N-CA 124.702 1.144 . . . . 0.0 111.333 175.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -74.32 167.9 20.72 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 117.606 -3.291 . . . . 0.0 111.299 -177.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -45.67 141.44 2.87 Favored 'General case' 0 N--CA 1.529 3.514 1 O-C-N 116.011 -4.181 . . . . 0.0 116.465 -174.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.2 m -84.04 130.46 34.87 Favored 'General case' 0 CA--C 1.572 1.817 0 N-CA-C 114.228 1.195 . . . . 0.0 114.228 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 35.0 pt -137.04 -165.48 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.527 3.383 0 CA-C-O 123.135 1.445 . . . . 0.0 108.369 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.7 ptt-85 -128.68 176.79 7.52 Favored 'General case' 0 C--O 1.258 1.535 0 O-C-N 117.923 -2.986 . . . . 0.0 114.405 170.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.3 m -158.35 154.06 22.9 Favored Pre-proline 0 N--CA 1.444 -0.74 0 O-C-N 118.677 -2.515 . . . . 0.0 110.868 -153.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -70.11 -24.36 28.18 Favored 'Trans proline' 0 N--CA 1.439 -1.728 0 C-N-CA 122.648 2.232 . . . . 0.0 115.398 -166.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -130.47 44.05 3.02 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 117.742 -3.099 . . . . 0.0 111.547 -174.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -126.48 5.37 6.89 Favored 'General case' 0 C--O 1.267 2.022 0 O-C-N 118.405 -2.684 . . . . 0.0 113.978 -163.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -62.69 -16.11 55.72 Favored 'General case' 0 C--N 1.38 1.904 0 CA-C-O 116.645 -1.645 . . . . 0.0 110.741 -168.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.6 p -56.56 -6.09 0.27 Allowed 'General case' 0 N--CA 1.535 3.822 0 CA-C-N 123.902 3.047 . . . . 0.0 119.153 166.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.332 1.8 pt? -161.58 -16.33 0.04 OUTLIER 'General case' 0 CA--C 1.47 -2.134 0 C-N-CA 127.387 2.275 . . . . 0.0 116.457 176.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.265 59.4 t30 55.8 33.15 20.93 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 121.382 1.901 . . . . 0.0 113.116 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -149.91 130.84 14.28 Favored 'General case' 0 CA--C 1.606 3.114 0 CA-C-O 122.365 1.079 . . . . 0.0 113.173 175.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 9.2 p -138.52 178.87 6.82 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 128.845 2.858 . . . . 0.0 106.795 168.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -139.35 160.11 40.59 Favored 'General case' 0 CA--C 1.589 2.467 1 C-N-CA 134.246 5.018 . . . . 0.0 109.73 175.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -135.87 144.5 45.63 Favored 'General case' 0 C--O 1.244 0.764 0 O-C-N 120.802 -1.186 . . . . 0.0 111.976 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.8 p -57.28 144.83 34.1 Favored 'General case' 0 CA--C 1.578 2.031 0 C-N-CA 127.622 2.369 . . . . 0.0 114.021 -167.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 80.2 mtt-85 -73.9 -15.82 61.13 Favored 'General case' 0 N--CA 1.51 2.57 0 C-N-CA 124.882 1.273 . . . . 0.0 114.003 -175.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -159.61 167.37 28.63 Favored 'General case' 0 CA--C 1.556 1.178 1 C-N-CA 132.189 4.196 . . . . 0.0 112.13 -175.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -81.15 152.99 27.5 Favored 'General case' 0 CA--C 1.487 -1.447 0 O-C-N 125.369 1.668 . . . . 0.0 109.902 177.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -121.16 153.41 58.01 Favored Pre-proline 0 CA--C 1.469 -2.16 0 CA-C-O 116.843 -1.551 . . . . 0.0 106.926 177.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -64.0 153.11 77.82 Favored 'Trans proline' 0 N--CA 1.42 -2.826 0 C-N-CA 121.369 1.379 . . . . 0.0 110.084 156.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 pp -150.47 179.51 8.09 Favored 'General case' 0 CA--C 1.571 1.782 0 C-N-CA 129.498 3.119 . . . . 0.0 116.131 175.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.2 tp -140.66 102.59 4.34 Favored 'General case' 0 C--N 1.308 -1.197 0 C-N-CA 125.913 1.685 . . . . 0.0 107.247 177.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -76.83 138.23 39.7 Favored 'General case' 0 CA--C 1.554 1.096 0 CA-C-O 125.543 2.592 . . . . 0.0 115.281 152.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 89.4 m -123.51 138.15 54.63 Favored 'General case' 0 C--O 1.277 2.517 0 CA-C-N 112.544 -2.116 . . . . 0.0 108.961 -176.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -132.3 128.06 36.94 Favored 'General case' 0 CA--C 1.575 1.924 0 C-N-CA 129.877 3.271 . . . . 0.0 114.813 -166.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.0 tp -80.28 119.48 23.08 Favored 'General case' 0 C--N 1.367 1.354 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 172.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.458 5.4 pt -64.24 -6.45 2.75 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.916 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 -164.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -144.8 106.46 4.59 Favored Pre-proline 0 CA--C 1.569 1.697 0 C-N-CA 128.142 2.577 . . . . 0.0 107.806 -178.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -42.74 -35.35 4.13 Favored 'Trans proline' 0 CA--C 1.578 2.71 0 N-CA-C 116.102 1.539 . . . . 0.0 116.102 164.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -76.0 -10.54 85.15 Favored Glycine 0 CA--C 1.563 3.048 0 N-CA-C 118.303 2.081 . . . . 0.0 118.303 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.01 144.35 40.93 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 117.813 2.523 . . . . 0.0 117.813 173.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -144.23 -32.63 0.42 Allowed 'General case' 0 N--CA 1.531 3.588 0 C-N-CA 117.159 -1.816 . . . . 0.0 110.859 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -92.09 130.21 37.87 Favored 'General case' 0 C--O 1.251 1.16 0 C-N-CA 127.668 2.387 . . . . 0.0 108.632 177.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.267 2.3 pp -56.57 -23.75 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 CA-C-O 116.08 -1.915 . . . . 0.0 114.92 171.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . 0.267 16.7 m -57.36 -8.71 0.83 Allowed 'General case' 0 N--CA 1.51 2.529 0 CA-C-O 117.067 -1.444 . . . . 0.0 114.529 167.379 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -134.53 -36.14 0.88 Allowed 'General case' 0 CA--C 1.578 2.04 0 N-CA-C 117.302 2.334 . . . . 0.0 117.302 -170.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 74.1 m -53.1 132.04 37.53 Favored 'General case' 0 C--N 1.289 -2.058 0 C-N-CA 130.528 3.531 . . . . 0.0 117.387 175.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -135.29 151.29 50.41 Favored 'General case' 0 N--CA 1.525 3.3 0 C-N-CA 128.7 2.8 . . . . 0.0 115.355 -178.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -142.34 148.19 37.53 Favored 'General case' 0 C--N 1.364 1.21 0 CA-C-N 122.977 2.626 . . . . 0.0 108.499 -150.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -146.8 157.57 43.7 Favored 'General case' 0 C--O 1.255 1.365 0 CA-C-O 124.335 2.017 . . . . 0.0 113.008 -177.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -91.18 138.13 31.83 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 129.925 3.29 . . . . 0.0 117.373 -172.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -142.08 72.08 22.94 Favored Pre-proline 0 N--CA 1.5 2.071 0 C-N-CA 124.76 1.224 . . . . 0.0 112.6 172.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -64.68 165.24 21.32 Favored 'Trans proline' 0 C--O 1.293 3.253 0 C-N-CA 124.511 3.474 . . . . 0.0 108.767 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -179.67 -168.26 38.22 Favored Glycine 0 C--O 1.278 2.882 0 O-C-N 118.96 -2.338 . . . . 0.0 112.342 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -153.92 129.48 9.96 Favored 'General case' 0 N--CA 1.437 -1.076 0 C-N-CA 126.346 1.859 . . . . 0.0 112.039 175.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 90.0 mtm-85 -166.43 155.21 10.84 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 130.108 3.363 . . . . 0.0 114.522 -162.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -66.86 176.01 2.22 Favored 'General case' 1 N--CA 1.541 4.088 0 CA-C-O 124.844 2.259 . . . . 0.0 111.191 161.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.443 ' HB3' HG22 ' A' ' 132' ' ' THR . 14.9 p90 -156.67 162.91 39.81 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 118.091 -2.881 . . . . 0.0 112.552 175.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.2 t -132.14 117.93 34.77 Favored 'Isoleucine or valine' 0 C--N 1.368 1.381 0 C-N-CA 130.094 3.357 . . . . 0.0 109.334 -161.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 15.6 m -133.35 152.6 35.73 Favored 'Isoleucine or valine' 0 C--O 1.275 2.441 0 C-N-CA 127.91 2.484 . . . . 0.0 113.59 -172.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -103.58 167.07 10.03 Favored 'General case' 0 N--CA 1.434 -1.257 0 C-N-CA 126.811 2.044 . . . . 0.0 109.76 168.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 91.9 m -160.97 149.34 16.08 Favored 'General case' 0 N--CA 1.506 2.344 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.541 -159.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -155.75 169.91 23.27 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 104.809 -2.293 . . . . 0.0 104.809 -158.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -56.42 139.0 50.32 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-N 110.988 -2.824 . . . . 0.0 116.254 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -42.64 138.94 1.72 Allowed 'General case' 0 N--CA 1.504 2.239 0 C-N-CA 126.414 1.886 . . . . 0.0 111.689 167.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -49.72 147.14 6.57 Favored Pre-proline 0 C--N 1.284 -2.276 0 C-N-CA 128.418 2.687 . . . . 0.0 111.376 163.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -60.13 -19.75 58.06 Favored 'Trans proline' 0 N--CA 1.444 -1.41 0 C-N-CA 122.502 2.135 . . . . 0.0 116.798 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -135.34 -34.53 0.85 Allowed 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 113.082 -3.342 . . . . 0.0 109.881 178.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -75.94 141.16 42.34 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 123.395 2.816 . . . . 0.0 115.462 -170.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.0 m 37.36 58.68 4.18 Favored Pre-proline 0 C--O 1.275 2.421 0 N-CA-C 118.029 2.604 . . . . 0.0 118.029 -178.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -51.21 -29.63 29.96 Favored 'Trans proline' 0 N--CA 1.505 2.187 1 C-N-CA 126.431 4.754 . . . . 0.0 114.926 176.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -45.73 -26.78 0.69 Allowed 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 128.237 2.615 . . . . 0.0 115.831 175.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . 0.324 22.5 m-85 -113.02 89.13 13.18 Favored Pre-proline 0 CA--C 1.591 2.535 1 C-N-CA 131.973 4.109 . . . . 0.0 120.092 -170.5 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -48.36 -34.42 25.17 Favored 'Trans proline' 0 N--CA 1.509 2.408 0 CA-C-N 121.041 1.408 . . . . 0.0 114.274 -175.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 3.6 m -127.87 149.56 32.91 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.442 0 CA-C-O 114.767 -2.539 . . . . 0.0 112.554 177.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 27.5 m -126.45 143.23 45.43 Favored Pre-proline 0 N--CA 1.485 1.319 0 CA-C-N 122.672 2.487 . . . . 0.0 115.366 174.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -73.88 129.86 13.87 Favored 'Trans proline' 0 C--O 1.267 1.939 0 C-N-CA 124.314 3.343 . . . . 0.0 110.421 175.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 15.7 m -127.75 -16.91 2.63 Favored 'Isoleucine or valine' 0 C--O 1.177 -2.761 1 C-N-CA 133.651 4.78 . . . . 0.0 116.041 -171.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -146.92 157.08 43.54 Favored 'General case' 0 CA--C 1.592 2.593 0 CA-C-N 120.692 1.587 . . . . 0.0 111.759 173.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . 0.267 33.1 tp -140.21 129.32 23.61 Favored 'General case' 0 CA--C 1.576 1.943 0 C-N-CA 130.183 3.393 . . . . 0.0 110.051 -177.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -108.88 -39.65 5.26 Favored 'General case' 0 C--N 1.283 -2.315 0 CA-C-O 115.868 -2.015 . . . . 0.0 116.023 -176.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.6 t -153.27 166.96 30.92 Favored 'General case' 0 C--N 1.394 2.512 0 CA-C-O 128.431 3.967 . . . . 0.0 115.57 -178.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.443 HG22 ' HB3' ' A' ' 107' ' ' TYR . 44.0 p -126.41 140.15 52.71 Favored 'General case' 0 C--O 1.261 1.677 0 O-C-N 117.918 -2.989 . . . . 0.0 108.97 167.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.25 0.2 OUTLIER . . . . . 0 CA--C 1.558 1.288 0 O-C-N 127.332 2.895 . . . . 0.0 115.642 -172.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo . . . . . 0 CA--C 1.581 2.85 0 CA-C-O 114.336 -2.444 . . . . 0.0 109.219 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -41.72 -28.67 0.72 Allowed 'Trans proline' 0 C--N 1.303 -1.863 0 C-N-CA 124.101 3.201 . . . . 0.0 118.83 -170.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -158.52 15.86 0.2 Allowed 'General case' 0 CA--C 1.547 0.839 1 N-CA-C 122.151 4.13 . . . . 0.0 122.151 -166.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -143.26 171.67 13.79 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 122.377 1.084 . . . . 0.0 108.746 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.446 HG23 ' NE2' ' A' ' 9' ' ' GLN . 2.8 p -62.07 157.12 19.69 Favored 'General case' 1 N--CA 1.571 5.6 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 158.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -66.28 -29.53 69.77 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 123.493 2.861 . . . . 0.0 113.164 177.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.07 -30.54 55.52 Favored 'General case' 0 C--N 1.383 2.033 0 C-N-CA 126.857 2.063 . . . . 0.0 110.574 175.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.446 ' NE2' HG23 ' A' ' 6' ' ' THR . 62.2 mt-30 -68.38 -52.05 37.34 Favored 'General case' 0 N--CA 1.518 2.967 0 O-C-N 118.815 -2.428 . . . . 0.0 105.532 177.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 6.2 t-105 -49.65 -50.21 44.11 Favored 'General case' 0 CA--C 1.596 2.737 0 N-CA-C 116.329 1.974 . . . . 0.0 116.329 173.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -49.12 -49.17 43.27 Favored 'General case' 0 C--N 1.282 -2.328 0 CA-C-O 115.023 -2.417 . . . . 0.0 112.967 172.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.13 -60.75 2.89 Favored 'General case' 0 C--N 1.391 2.405 1 C-N-CA 131.977 4.111 . . . . 0.0 110.713 173.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.8 mt -46.72 -32.54 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.513 2.691 0 CA-C-O 123.412 1.577 . . . . 0.0 115.185 -178.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -96.76 -22.76 16.77 Favored 'General case' 0 C--O 1.258 1.519 0 CA-C-O 115.04 -2.409 . . . . 0.0 111.82 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -144.48 -23.29 0.53 Allowed 'General case' 0 C--O 1.268 2.072 0 N-CA-C 118.121 2.637 . . . . 0.0 118.121 -164.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.1 mm -105.67 117.44 51.39 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.155 1 CA-C-N 126.096 4.044 . . . . 0.0 110.442 173.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.4 m -142.45 94.79 2.69 Favored 'General case' 0 C--N 1.343 0.284 0 N-CA-C 105.258 -2.127 . . . . 0.0 105.258 -171.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.4 tp -55.38 -34.68 64.54 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 124.75 2.214 . . . . 0.0 111.875 -176.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -153.58 79.94 5.26 Favored Pre-proline 0 CA--C 1.591 2.521 0 O-C-N 117.686 -3.134 . . . . 0.0 112.645 -168.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -68.02 161.74 42.93 Favored 'Trans proline' 0 N--CA 1.418 -2.96 0 O-C-N 125.277 2.198 . . . . 0.0 116.66 -158.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -86.0 169.3 8.96 Favored 'Trans proline' 0 N--CA 1.432 -2.101 1 C-N-CA 125.592 4.195 . . . . 0.0 111.155 160.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -55.94 146.06 23.29 Favored 'General case' 0 CA--C 1.581 2.157 0 O-C-N 118.751 -2.468 . . . . 0.0 112.823 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 6.8 m -54.62 -33.69 60.9 Favored 'General case' 0 CA--C 1.605 3.061 0 CA-C-N 121.315 1.871 . . . . 0.0 114.105 -176.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.1 p -51.08 -17.0 0.54 Allowed 'General case' 0 N--CA 1.537 3.923 1 C-N-CA 132.248 4.219 . . . . 0.0 114.844 166.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.9 mm -118.12 -40.59 2.33 Favored 'Isoleucine or valine' 0 C--O 1.248 1.021 0 O-C-N 127.624 3.077 . . . . 0.0 112.02 170.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.18 -45.7 75.78 Favored 'General case' 0 N--CA 1.505 2.278 0 CA-C-O 117.236 -1.364 . . . . 0.0 113.015 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 66.7 mmm -62.24 -25.25 67.72 Favored 'General case' 0 N--CA 1.442 -0.873 0 O-C-N 126.674 2.483 . . . . 0.0 115.99 176.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -66.35 -21.81 66.25 Favored 'General case' 0 N--CA 1.491 1.616 1 O-C-N 113.919 -5.488 . . . . 0.0 112.482 -171.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.51 -14.14 48.01 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 117.414 2.376 . . . . 0.0 117.414 170.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . 0.304 39.5 pt -126.26 -48.72 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 CA-C-N 113.929 -1.487 . . . . 0.0 114.782 169.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 -77.98 1.61 20.24 Favored 'General case' 0 N--CA 1.507 2.412 0 CA-C-O 114.196 -2.811 . . . . 0.0 111.177 -168.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -129.85 8.81 5.31 Favored 'General case' 0 CA--C 1.563 1.46 0 CA-C-O 124.943 2.306 . . . . 0.0 111.47 176.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.295 81.9 t80 -136.45 20.68 3.14 Favored 'General case' 0 N--CA 1.505 2.306 0 C-N-CA 126.621 1.968 . . . . 0.0 113.447 -173.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -158.42 148.91 20.18 Favored 'General case' 0 CA--C 1.493 -1.247 1 C-N-CA 132.446 4.298 . . . . 0.0 108.413 -170.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . 0.3 0.6 OUTLIER -61.44 -15.41 36.99 Favored 'General case' 0 CA--C 1.557 1.249 0 N-CA-C 118.025 2.602 . . . . 0.0 118.025 -172.234 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -139.71 160.25 40.32 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 125.146 2.403 . . . . 0.0 111.349 -177.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 33.6 m -66.59 125.03 24.49 Favored 'General case' 0 N--CA 1.515 2.799 0 O-C-N 118.552 -2.592 . . . . 0.0 111.204 158.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -84.59 149.24 26.0 Favored 'General case' 0 C--N 1.366 1.288 0 O-C-N 126.441 2.338 . . . . 0.0 108.506 168.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -78.03 -68.51 0.63 Allowed 'General case' 0 C--N 1.364 1.206 1 C-N-CA 131.792 4.037 . . . . 0.0 106.54 -163.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -115.47 148.83 38.98 Favored 'General case' 0 N--CA 1.519 2.992 0 C-N-CA 126.143 1.777 . . . . 0.0 114.057 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -156.42 165.88 35.05 Favored 'General case' 0 C--O 1.246 0.876 0 O-C-N 117.951 -2.968 . . . . 0.0 108.346 166.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 55.1 m -134.62 144.44 47.88 Favored 'General case' 0 CA--C 1.574 1.887 1 C-N-CA 132.635 4.374 . . . . 0.0 110.27 -175.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -145.49 134.97 23.19 Favored 'General case' 0 CA--C 1.61 3.279 0 C-N-CA 128.454 2.701 . . . . 0.0 104.401 -177.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 76.1 mt -119.23 133.74 55.59 Favored 'General case' 0 N--CA 1.532 3.638 0 CA-C-N 113.223 -1.808 . . . . 0.0 112.189 -162.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -89.56 85.58 6.53 Favored 'General case' 0 N--CA 1.508 2.462 0 N-CA-C 116.818 2.155 . . . . 0.0 116.818 -172.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.9 t -160.8 172.13 17.57 Favored 'General case' 0 N--CA 1.513 2.678 0 N-CA-C 104.837 -2.283 . . . . 0.0 104.837 -165.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.2 p -108.13 171.4 7.43 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 118.477 -2.639 . . . . 0.0 113.47 175.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -74.5 -39.07 62.66 Favored 'General case' 0 C--O 1.187 -2.23 0 CA-C-N 120.493 1.497 . . . . 0.0 109.79 -173.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.75 -7.85 1.13 Allowed 'General case' 0 C--N 1.357 0.933 0 N-CA-C 117.708 2.484 . . . . 0.0 117.708 169.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -95.69 -51.1 4.65 Favored 'General case' 0 C--O 1.201 -1.466 0 C-N-CA 128.549 2.739 . . . . 0.0 110.586 177.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . 0.38 1.4 t -58.66 -25.74 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.063 0 CA-C-O 124.075 1.893 . . . . 0.0 112.064 171.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 50.6 t -69.72 -47.97 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 O-C-N 117.672 -3.143 . . . . 0.0 112.517 175.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -63.12 -11.8 22.84 Favored 'General case' 0 CA--C 1.491 -1.311 0 CA-C-O 116.103 -1.903 . . . . 0.0 108.865 174.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 t -86.01 -29.88 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-N 121.848 2.113 . . . . 0.0 113.83 169.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 88.7 m -68.11 -29.53 68.48 Favored 'General case' 0 C--N 1.371 1.503 0 C-N-CA 114.882 -2.727 . . . . 0.0 109.93 164.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -76.71 -5.2 83.19 Favored Glycine 0 C--N 1.359 1.858 0 C-N-CA 128.472 2.939 . . . . 0.0 114.148 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -76.85 172.51 13.01 Favored 'General case' 0 N--CA 1.421 -1.879 0 C-N-CA 130.536 3.534 . . . . 0.0 114.546 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -55.5 146.15 20.97 Favored 'General case' 0 CA--C 1.566 1.563 0 CA-C-N 120.413 1.46 . . . . 0.0 111.15 175.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.8 m -92.09 126.4 37.15 Favored 'General case' 0 N--CA 1.517 2.901 0 O-C-N 126.578 2.424 . . . . 0.0 110.49 -174.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.429 HG13 ' SG ' ' A' ' 71' ' ' CYS . 29.7 pt -117.97 -174.26 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.252 1.186 0 CA-C-N 119.554 1.07 . . . . 0.0 110.976 169.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 -122.98 146.55 47.52 Favored 'General case' 0 N--CA 1.509 2.509 0 C-N-CA 127.83 2.452 . . . . 0.0 111.173 166.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.492 ' HB3' ' HD2' ' A' ' 63' ' ' PRO . 72.4 m -129.72 177.98 1.92 Allowed Pre-proline 0 CA--C 1.567 1.616 0 CA-C-N 110.382 -3.099 . . . . 0.0 110.012 -169.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.492 ' HD2' ' HB3' ' A' ' 62' ' ' CYS 0.269 54.0 Cg_endo -85.25 -7.87 8.91 Favored 'Trans proline' 0 CA--C 1.488 -1.814 0 C-N-CA 123.657 2.905 . . . . 0.0 116.934 -164.391 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . 0.339 2.2 m80 -140.21 31.38 1.95 Allowed 'General case' 0 CA--C 1.496 -1.108 0 C-N-CA 129.587 3.155 . . . . 0.0 113.032 -171.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -127.47 1.49 6.26 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 126.495 2.372 . . . . 0.0 112.26 -158.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -59.98 -32.33 70.74 Favored 'General case' 0 N--CA 1.519 3.011 0 CA-C-O 126.521 3.058 . . . . 0.0 114.46 -177.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . 0.374 63.8 p -56.0 -11.38 1.05 Allowed 'General case' 0 N--CA 1.514 2.738 0 O-C-N 118.047 -2.908 . . . . 0.0 113.023 169.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -148.33 -5.75 0.43 Allowed 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 122.527 2.421 . . . . 0.0 116.629 168.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.2 t30 55.62 28.05 11.41 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 116.899 2.185 . . . . 0.0 116.899 -176.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -153.06 115.74 4.5 Favored 'General case' 0 CA--C 1.591 2.549 0 O-C-N 117.458 -3.276 . . . . 0.0 105.568 -165.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.429 ' SG ' HG13 ' A' ' 60' ' ' ILE . 6.8 p -137.91 169.93 16.93 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 110.808 -2.905 . . . . 0.0 112.913 169.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -139.58 156.19 47.02 Favored 'General case' 0 C--N 1.373 1.592 0 O-C-N 120.848 -1.157 . . . . 0.0 108.195 -176.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -118.61 172.1 7.73 Favored 'General case' 0 C--O 1.272 2.237 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 172.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 85.2 p -65.21 162.17 17.76 Favored 'General case' 0 C--O 1.244 0.811 0 C-N-CA 128.839 2.856 . . . . 0.0 111.288 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -97.93 -9.13 26.75 Favored 'General case' 0 C--O 1.169 -3.162 0 C-N-CA 126.881 2.072 . . . . 0.0 107.74 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -163.87 176.49 9.42 Favored 'General case' 0 N--CA 1.439 -0.995 0 O-C-N 116.571 -3.831 . . . . 0.0 111.201 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 -82.76 163.18 21.43 Favored 'General case' 0 C--N 1.389 2.302 0 CA-C-O 121.482 0.658 . . . . 0.0 109.366 166.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.4 m -141.42 151.86 62.17 Favored Pre-proline 0 C--O 1.197 -1.702 0 C-N-CA 126.324 1.849 . . . . 0.0 109.946 168.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.407 ' HA ' ' O ' ' A' ' 103' ' ' GLY . 48.5 Cg_endo -64.98 155.08 70.15 Favored 'Trans proline' 0 CA--C 1.56 1.785 0 C-N-CA 121.714 1.609 . . . . 0.0 112.457 160.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.6 pp -155.41 177.47 11.32 Favored 'General case' 0 N--CA 1.421 -1.896 0 O-C-N 118.576 -2.578 . . . . 0.0 114.24 -172.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.2 tp -128.77 109.82 11.63 Favored 'General case' 0 CA--C 1.59 2.491 0 CA-C-N 120.603 1.547 . . . . 0.0 108.215 176.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -84.02 161.05 20.86 Favored 'General case' 0 N--CA 1.424 -1.727 0 CA-C-O 116.464 -1.732 . . . . 0.0 112.687 161.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 68.7 m -153.16 149.55 28.14 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 126.502 2.377 . . . . 0.0 115.467 -174.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -150.52 109.57 3.91 Favored 'General case' 0 C--O 1.257 1.452 0 O-C-N 126.145 2.153 . . . . 0.0 112.25 -145.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.1 tp -68.8 96.15 0.73 Allowed 'General case' 0 C--O 1.199 -1.593 0 O-C-N 126.176 2.172 . . . . 0.0 111.138 169.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.306 0.8 OUTLIER -57.25 -9.4 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.531 3.586 0 N-CA-C 117.126 2.269 . . . . 0.0 117.126 -174.273 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -138.75 86.13 16.08 Favored Pre-proline 0 CA--C 1.563 1.475 0 O-C-N 116.442 -3.911 . . . . 0.0 110.105 169.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -48.66 -25.78 8.46 Favored 'Trans proline' 0 CA--C 1.58 2.797 1 C-N-CA 126.849 5.032 . . . . 0.0 116.001 -168.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -70.17 -19.81 76.02 Favored Glycine 0 C--N 1.356 1.665 0 C-N-CA 127.036 2.255 . . . . 0.0 113.336 178.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.3 147.09 46.71 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 119.414 -2.227 . . . . 0.0 115.774 168.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -148.83 -17.66 0.31 Allowed 'General case' 0 C--N 1.384 2.086 0 C-N-CA 128.191 2.596 . . . . 0.0 114.62 -170.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -103.27 141.84 35.22 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 104.853 -2.277 . . . . 0.0 104.853 176.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 19.8 pt -65.02 -5.39 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.604 3.048 0 N-CA-C 117.365 2.357 . . . . 0.0 117.365 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.0 m -83.83 0.85 45.81 Favored 'General case' 0 C--O 1.265 1.905 0 CA-C-O 123.539 1.638 . . . . 0.0 110.163 176.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -152.45 -9.67 0.19 Allowed 'General case' 0 N--CA 1.516 2.854 0 O-C-N 119.436 -2.04 . . . . 0.0 113.861 -170.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 3.4 m -71.88 149.7 44.93 Favored 'General case' 0 N--CA 1.498 1.956 0 CA-C-N 120.117 1.326 . . . . 0.0 109.184 162.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -164.32 145.94 8.56 Favored 'General case' 0 CA--C 1.563 1.459 0 C-N-CA 130.227 3.411 . . . . 0.0 110.066 -169.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -136.72 169.48 17.66 Favored 'General case' 0 C--N 1.315 -0.919 0 O-C-N 128.673 3.733 . . . . 0.0 114.423 -165.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.57 134.06 6.82 Favored 'General case' 0 CA--C 1.486 -1.498 0 CA-C-N 113.614 -1.63 . . . . 0.0 111.878 -169.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -77.68 128.39 34.01 Favored 'General case' 0 C--N 1.271 -2.805 0 O-C-N 116.552 -3.842 . . . . 0.0 111.599 -164.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . 0.331 2.7 mpt_? -119.87 67.71 11.63 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 124.275 0.985 . . . . 0.0 110.45 174.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -54.96 139.91 79.37 Favored 'Trans proline' 0 N--CA 1.514 2.68 0 O-C-N 116.507 -2.417 . . . . 0.0 113.667 173.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 79' ' ' PRO . . . -141.62 -168.96 11.76 Favored Glycine 0 CA--C 1.57 3.525 0 N-CA-C 115.202 0.841 . . . . 0.0 115.202 173.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 45.7 ttt180 -148.53 113.11 5.34 Favored 'General case' 0 CA--C 1.499 -1.012 0 C-N-CA 130.639 3.576 . . . . 0.0 109.661 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 90.7 mtm-85 -158.55 166.36 32.3 Favored 'General case' 0 C--O 1.267 1.977 0 O-C-N 124.703 1.252 . . . . 0.0 107.666 -172.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -81.46 167.78 19.01 Favored 'General case' 0 C--O 1.163 -3.498 0 CA-C-O 116.734 -1.603 . . . . 0.0 110.837 163.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -137.31 159.0 43.19 Favored 'General case' 0 CA--C 1.567 1.634 0 C-N-CA 128.761 2.824 . . . . 0.0 114.672 -176.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 42.0 t -141.76 119.42 8.29 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.375 0 O-C-N 128.271 3.482 . . . . 0.0 109.591 -170.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.0 m -148.32 -178.37 0.56 Allowed 'Isoleucine or valine' 0 C--O 1.171 -3.036 0 O-C-N 117.136 -3.477 . . . . 0.0 109.576 -154.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -155.1 153.71 31.28 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 127.906 2.482 . . . . 0.0 113.4 -172.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 99.1 m -133.48 165.56 24.6 Favored 'General case' 0 N--CA 1.405 -2.722 0 C-N-CA 126.21 1.804 . . . . 0.0 113.491 -157.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -146.25 168.51 20.88 Favored 'General case' 0 C--O 1.281 2.731 0 C-N-CA 127.787 2.435 . . . . 0.0 113.077 175.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -66.55 159.1 28.11 Favored 'General case' 0 C--O 1.208 -1.088 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -48.25 153.21 0.74 Allowed 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 126.558 3.075 . . . . 0.0 116.114 172.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.461 ' HA ' ' HD3' ' A' ' 116' ' ' PRO . 12.8 t70 -72.43 142.66 84.47 Favored Pre-proline 0 CA--C 1.554 1.109 0 CA-C-N 113.257 -1.792 . . . . 0.0 112.945 170.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 115' ' ' ASP . 70.1 Cg_exo -61.44 -9.57 13.59 Favored 'Trans proline' 0 N--CA 1.506 2.221 1 C-N-CA 125.37 4.047 . . . . 0.0 115.144 -175.319 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -143.32 -26.96 0.57 Allowed 'General case' 0 C--N 1.399 2.742 0 C-N-CA 126.993 2.117 . . . . 0.0 114.438 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -103.25 146.84 27.83 Favored 'General case' 0 N--CA 1.525 3.314 0 CA-C-N 120.389 1.45 . . . . 0.0 111.501 -163.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.8 m 50.62 57.88 17.29 Favored Pre-proline 0 CA--C 1.549 0.918 0 N-CA-C 119.023 2.971 . . . . 0.0 119.023 -178.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -53.51 -17.54 9.65 Favored 'Trans proline' 0 C--N 1.29 -2.521 0 C-N-CA 124.224 3.283 . . . . 0.0 118.191 176.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -47.25 -23.91 0.63 Allowed 'General case' 0 N--CA 1.423 -1.803 0 C-N-CA 124.896 1.278 . . . . 0.0 113.343 171.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . 0.312 62.7 m-85 -138.9 139.53 24.07 Favored Pre-proline 0 CA--C 1.572 1.798 0 CA-C-N 121.405 1.911 . . . . 0.0 112.18 -159.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -80.26 -28.37 3.05 Favored 'Trans proline' 0 CA--C 1.565 2.034 0 C-N-CA 124.273 3.315 . . . . 0.0 113.273 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.6 m -132.19 159.17 43.29 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.075 0 C-N-CA 126.917 2.087 . . . . 0.0 108.657 -174.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 28.2 m -143.26 142.73 22.13 Favored Pre-proline 0 CA--C 1.564 1.513 0 O-C-N 126.364 2.29 . . . . 0.0 105.884 -173.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -73.19 145.85 39.77 Favored 'Trans proline' 0 CA--C 1.574 2.49 0 CA-C-N 122.33 1.868 . . . . 0.0 113.42 165.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.3 m -139.58 -20.16 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.511 2.59 0 O-C-N 119.934 -1.729 . . . . 0.0 111.884 -170.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . 0.577 ' CD2' ' H ' ' A' ' 129' ' ' LEU . 4.0 t60 -148.81 169.91 19.41 Favored 'General case' 0 C--O 1.181 -2.537 1 O-C-N 115.38 -4.575 . . . . 0.0 110.865 179.668 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.577 ' H ' ' CD2' ' A' ' 128' ' ' HIS . 14.3 tp -145.77 124.62 12.67 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 115.393 -2.242 . . . . 0.0 110.919 -174.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -101.94 -35.02 9.14 Favored 'General case' 0 C--N 1.409 3.171 0 CA-C-N 121.742 2.065 . . . . 0.0 111.678 -171.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 12.2 t -167.24 168.34 13.45 Favored 'General case' 0 C--O 1.256 1.397 0 N-CA-C 115.762 1.764 . . . . 0.0 115.762 -171.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 51.5 p -141.44 152.72 44.5 Favored 'General case' 0 N--CA 1.512 2.655 0 C-N-CA 126.652 1.981 . . . . 0.0 110.917 159.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.355 0.814 0 C-N-CA 128.792 2.837 . . . . 0.0 108.36 -163.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo . . . . . 0 N--CA 1.502 1.981 0 N-CA-C 108.957 -1.209 . . . . 0.0 108.957 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -63.9 -18.36 63.55 Favored 'Trans proline' 0 CA--C 1.572 2.389 1 C-N-CA 127.368 5.379 . . . . 0.0 114.283 -171.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.308 10.9 pt20 -143.38 9.71 1.64 Allowed 'General case' 0 C--O 1.257 1.452 0 C-N-CA 126.272 1.829 . . . . 0.0 114.966 -168.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -144.77 168.19 20.8 Favored 'General case' 0 N--CA 1.52 3.072 0 C-N-CA 127.777 2.431 . . . . 0.0 113.162 -171.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.62 164.76 18.43 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 120.247 1.385 . . . . 0.0 112.297 150.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.262 7.2 tpt180 -55.23 -51.91 65.08 Favored 'General case' 0 N--CA 1.535 3.787 0 O-C-N 119.747 -1.845 . . . . 0.0 108.388 165.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.29 -26.58 47.11 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 115.698 -2.401 . . . . 0.0 111.809 -166.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -57.43 -46.08 83.95 Favored 'General case' 0 N--CA 1.515 2.791 0 C-N-CA 124.389 1.076 . . . . 0.0 108.745 167.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 38.0 t-105 -74.72 -32.31 62.11 Favored 'General case' 0 C--O 1.205 -1.255 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -171.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -53.12 -48.79 67.59 Favored 'General case' 0 C--N 1.372 1.554 0 N-CA-C 120.067 3.358 . . . . 0.0 120.067 161.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.92 -36.07 75.06 Favored 'General case' 0 N--CA 1.504 2.227 0 CA-C-O 124.153 1.93 . . . . 0.0 113.817 -175.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.4 mt -53.8 -30.54 19.23 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.726 0 N-CA-C 117.351 2.352 . . . . 0.0 117.351 163.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -102.91 -18.55 15.0 Favored 'General case' 0 CA--C 1.592 2.574 0 CA-C-O 114.31 -2.757 . . . . 0.0 107.583 -175.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -145.27 6.12 1.12 Allowed 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 114.135 -2.84 . . . . 0.0 114.691 -167.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.3 mm -143.89 115.66 2.64 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.974 1 CA-C-N 126.843 4.383 . . . . 0.0 110.04 -175.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . 0.277 4.4 t -154.08 108.07 2.99 Favored 'General case' 0 C--O 1.259 1.604 0 N-CA-C 116.031 1.863 . . . . 0.0 116.031 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.6 tp -61.21 -60.08 4.32 Favored 'General case' 0 C--N 1.4 2.762 1 O-C-N 131.353 5.408 . . . . 0.0 113.009 -174.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -117.86 81.25 15.28 Favored Pre-proline 0 N--CA 1.522 3.15 0 CA-C-O 123.569 1.652 . . . . 0.0 107.137 173.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -79.6 155.41 24.29 Favored 'Trans proline' 0 CA--C 1.552 1.392 1 C-N-CA 130.437 7.425 . . . . 0.0 110.129 -164.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -85.53 174.17 6.99 Favored 'Trans proline' 0 C--O 1.256 1.411 1 C-N-CA 125.329 4.019 . . . . 0.0 112.433 169.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.0 mmt-85 -58.15 153.22 15.34 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 121.84 0.829 . . . . 0.0 112.16 178.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.1 m -64.53 -19.95 65.92 Favored 'General case' 0 CA--C 1.487 -1.454 0 CA-C-N 114.441 -1.254 . . . . 0.0 113.971 -172.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.7 p -58.5 -38.83 78.47 Favored 'General case' 0 C--N 1.31 -1.13 0 C-N-CA 125.252 1.421 . . . . 0.0 113.373 164.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.4 mm -88.25 -34.01 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 124.493 1.117 . . . . 0.0 109.297 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.65 -49.21 74.1 Favored 'General case' 0 C--N 1.378 1.826 0 O-C-N 118.733 -2.479 . . . . 0.0 107.113 -174.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 87.7 mmm -70.02 -21.93 63.16 Favored 'General case' 0 C--O 1.29 3.233 0 C-N-CA 125.892 1.677 . . . . 0.0 109.694 -165.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -57.24 -32.68 66.79 Favored 'General case' 0 N--CA 1.524 3.253 0 CA-C-O 112.516 -3.611 . . . . 0.0 112.983 170.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.22 -31.69 0.14 Allowed 'General case' 0 CA--C 1.491 -1.289 0 CA-C-N 123.725 2.966 . . . . 0.0 117.812 168.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.5 pt -121.73 -49.03 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.611 3.3 0 O-C-N 124.459 1.099 . . . . 0.0 110.04 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -71.47 -17.75 62.34 Favored 'General case' 0 C--N 1.389 2.306 0 O-C-N 119.315 -2.116 . . . . 0.0 114.829 -172.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.289 2.0 m-20 -97.41 19.33 13.46 Favored 'General case' 0 C--N 1.277 -2.57 0 O-C-N 124.695 1.247 . . . . 0.0 111.847 167.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -142.37 -5.21 0.97 Allowed 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 124.316 1.047 . . . . 0.0 113.279 -172.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -136.11 160.31 39.04 Favored 'General case' 0 CA--C 1.573 1.864 0 O-C-N 117.223 -3.423 . . . . 0.0 112.671 -177.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -60.61 -24.32 65.41 Favored 'General case' 0 C--O 1.174 -2.88 0 N-CA-C 120.122 3.378 . . . . 0.0 120.122 -170.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -143.88 159.34 42.71 Favored 'General case' 0 CA--C 1.603 3.005 0 O-C-N 127.135 2.772 . . . . 0.0 111.75 172.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.1 m -60.48 104.56 0.34 Allowed 'General case' 0 CA--C 1.583 2.24 0 O-C-N 128.947 3.905 . . . . 0.0 114.809 169.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -52.49 126.0 18.05 Favored 'General case' 0 C--N 1.289 -2.028 0 CA-C-O 117.226 -1.369 . . . . 0.0 110.287 156.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -52.28 -49.39 64.23 Favored 'General case' 0 C--O 1.266 1.933 0 C-N-CA 128.895 2.878 . . . . 0.0 115.281 -178.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -149.11 158.29 44.07 Favored 'General case' 0 CA--C 1.587 2.404 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 -163.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -157.14 148.86 22.39 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 127.115 2.166 . . . . 0.0 113.879 173.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 46.6 m -113.07 146.54 38.97 Favored 'General case' 0 C--N 1.29 -2.018 0 C-N-CA 126.832 2.053 . . . . 0.0 114.102 170.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -138.47 138.4 38.07 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 127.265 2.853 . . . . 0.0 111.113 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.0 mt -113.77 132.26 55.91 Favored 'General case' 0 N--CA 1.436 -1.134 0 O-C-N 120.035 -1.666 . . . . 0.0 109.053 -168.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -90.17 60.56 4.84 Favored 'General case' 0 N--CA 1.518 2.951 0 C-N-CA 124.832 1.253 . . . . 0.0 113.128 -177.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.3 t -139.94 -157.5 0.77 Allowed 'General case' 0 N--CA 1.502 2.14 0 C-N-CA 125.544 1.538 . . . . 0.0 109.615 -162.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.0 p -135.52 150.45 49.76 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 120.784 1.629 . . . . 0.0 111.543 175.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -49.17 -45.91 44.68 Favored 'General case' 0 CA--C 1.576 1.964 0 CA-C-N 113.222 -1.808 . . . . 0.0 112.16 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.28 -45.53 34.78 Favored 'General case' 0 N--CA 1.508 2.458 0 N-CA-C 117.862 2.541 . . . . 0.0 117.862 176.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -62.71 -47.83 81.9 Favored 'General case' 0 N--CA 1.423 -1.794 0 C-N-CA 125.219 1.408 . . . . 0.0 112.9 171.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.1 t -57.1 -34.68 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 CA-C-O 117.554 -1.213 . . . . 0.0 113.875 174.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.7 t -76.31 -34.34 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.764 0 CA-C-N 123.3 2.773 . . . . 0.0 107.307 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -65.95 -30.92 71.57 Favored 'General case' 0 C--O 1.259 1.555 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 177.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 70.0 t -72.65 -36.14 52.46 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.353 0 C-N-CA 128.17 2.588 . . . . 0.0 110.722 170.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.4 m -47.06 -26.12 0.99 Allowed 'General case' 0 N--CA 1.496 1.866 2 O-C-N 113.578 -5.701 . . . . 0.0 113.595 158.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -99.08 10.48 61.89 Favored Glycine 1 CA--C 1.592 4.87 0 O-C-N 123.751 0.657 . . . . 0.0 112.483 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -90.06 170.71 10.11 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 124.222 1.963 . . . . 0.0 115.486 167.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . 0.283 16.1 mt-30 -31.09 124.36 0.21 Allowed 'General case' 0 C--N 1.302 -1.495 0 O-C-N 119.38 -2.075 . . . . 0.0 112.963 177.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.2 m -92.09 120.46 32.72 Favored 'General case' 0 N--CA 1.506 2.342 0 CA-C-O 112.724 -3.512 . . . . 0.0 111.727 -174.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.8 pt -134.24 166.46 28.7 Favored 'Isoleucine or valine' 0 C--O 1.281 2.755 0 CA-C-N 122.003 2.183 . . . . 0.0 109.822 -168.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.6 ptt85 -87.26 160.68 18.35 Favored 'General case' 0 CA--C 1.586 2.361 0 CA-C-N 121.552 1.978 . . . . 0.0 112.895 162.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.7 m -132.77 150.73 76.54 Favored Pre-proline 0 C--O 1.253 1.266 0 O-C-N 125.212 1.57 . . . . 0.0 113.268 174.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -47.06 -20.69 1.31 Allowed 'Trans proline' 0 CA--C 1.555 1.549 1 C-N-CA 125.983 4.456 . . . . 0.0 117.195 -176.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -133.57 68.1 1.5 Allowed 'General case' 1 N--CA 1.551 4.592 0 CA-C-N 121.58 1.991 . . . . 0.0 110.777 172.853 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -146.1 -7.0 0.56 Allowed 'General case' 0 C--O 1.28 2.676 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 -160.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -60.22 -3.18 0.56 Allowed 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 120.228 3.418 . . . . 0.0 120.228 -169.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.0 p -63.84 -46.03 86.89 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-N 121.541 1.973 . . . . 0.0 112.095 167.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.3 1.7 pt? -122.75 -9.01 8.4 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 118.455 2.761 . . . . 0.0 118.455 -173.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.9 t30 48.65 33.14 3.95 Favored 'General case' 0 CA--C 1.613 3.378 0 C-N-CA 128.876 2.87 . . . . 0.0 112.917 171.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -146.81 111.08 5.12 Favored 'General case' 0 C--O 1.267 2.001 0 CA-C-N 111.763 -2.471 . . . . 0.0 106.677 -171.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.4 p -134.94 172.34 13.13 Favored 'General case' 0 C--O 1.18 -2.564 0 CA-C-N 112.248 -2.251 . . . . 0.0 109.303 171.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -146.57 152.59 39.18 Favored 'General case' 0 CA--C 1.568 1.665 0 C-N-CA 128.718 2.807 . . . . 0.0 110.29 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 46.8 ptt85 -122.83 154.95 37.57 Favored 'General case' 0 C--N 1.378 1.845 0 O-C-N 126.118 2.136 . . . . 0.0 114.755 169.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.1 p -72.81 129.92 39.29 Favored 'General case' 0 C--N 1.366 1.315 0 O-C-N 118.162 -2.836 . . . . 0.0 111.73 -166.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.427 ' HG3' ' H ' ' A' ' 75' ' ' ARG . 36.1 mtt-85 -47.61 -20.11 0.24 Allowed 'General case' 0 N--CA 1.509 2.486 0 N-CA-C 117.498 2.407 . . . . 0.0 117.498 173.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -158.84 150.91 21.2 Favored 'General case' 0 C--N 1.383 2.028 0 O-C-N 126.528 2.393 . . . . 0.0 105.116 -171.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -60.26 158.99 10.56 Favored 'General case' 0 C--N 1.382 2.019 0 CA-C-N 113.341 -1.754 . . . . 0.0 111.878 171.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.8 m -140.34 156.27 69.81 Favored Pre-proline 0 N--CA 1.436 -1.165 0 C-N-CA 129.524 3.13 . . . . 0.0 108.233 175.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -73.01 155.1 52.96 Favored 'Trans proline' 0 C--O 1.277 2.444 0 C-N-CA 117.15 -1.433 . . . . 0.0 112.125 172.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' A' ' 105' ' ' ARG . 1.8 pp -156.49 174.09 15.94 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-O 117.834 -1.079 . . . . 0.0 109.161 -176.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . 0.25 58.9 tp -143.25 138.14 29.4 Favored 'General case' 0 CA--C 1.482 -1.657 1 C-N-CA 131.711 4.005 . . . . 0.0 110.427 -178.83 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -127.57 141.64 51.59 Favored 'General case' 0 N--CA 1.418 -2.057 0 C-N-CA 127.169 2.187 . . . . 0.0 114.042 176.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 76.5 m -119.03 155.13 31.97 Favored 'General case' 0 C--O 1.201 -1.479 0 CA-C-O 126.452 3.025 . . . . 0.0 112.237 -175.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -148.22 116.62 6.56 Favored 'General case' 0 C--N 1.297 -1.676 1 O-C-N 115.668 -4.395 . . . . 0.0 114.158 -166.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 27.1 tp -63.39 86.88 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 128.06 2.544 . . . . 0.0 111.276 176.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.6 pt -48.78 -22.8 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.577 2.001 0 O-C-N 117.351 -3.343 . . . . 0.0 116.68 -169.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -137.55 109.44 8.7 Favored Pre-proline 0 C--O 1.169 -3.134 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 157.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -60.22 -2.64 1.9 Allowed 'Trans proline' 0 CA--C 1.582 2.886 0 C-N-CA 124.683 3.589 . . . . 0.0 116.279 168.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.31 -19.64 66.6 Favored Glycine 0 CA--C 1.558 2.776 0 N-CA-C 117.386 1.714 . . . . 0.0 117.386 167.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -81.93 153.35 26.34 Favored 'General case' 0 CA--C 1.591 2.53 0 N-CA-C 120.441 3.497 . . . . 0.0 120.441 163.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -138.11 -3.37 1.78 Allowed 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 124.46 1.104 . . . . 0.0 113.335 -176.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -138.87 148.89 44.24 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.289 1.836 . . . . 0.0 112.458 -173.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.5 pt -74.61 -3.93 5.17 Favored 'Isoleucine or valine' 0 CA--C 1.616 3.503 0 CA-C-N 111.566 -2.561 . . . . 0.0 113.89 -171.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . 0.265 1.7 m -75.76 -12.9 60.27 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 120.646 1.566 . . . . 0.0 113.372 159.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -137.52 -8.03 1.7 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 116.655 -3.778 . . . . 0.0 119.897 175.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 99.2 m -65.93 145.05 56.37 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.366 -0.834 . . . . 0.0 108.756 174.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -149.38 152.47 35.82 Favored 'General case' 0 N--CA 1.518 2.94 0 C-N-CA 126.662 1.985 . . . . 0.0 111.016 -177.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -147.05 153.58 40.16 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 118.721 -2.487 . . . . 0.0 113.242 -172.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.59 164.99 25.43 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 122.147 0.975 . . . . 0.0 109.941 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -107.47 124.91 50.58 Favored 'General case' 0 CA--C 1.493 -1.229 0 C-N-CA 127.79 2.436 . . . . 0.0 113.596 -156.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.73 82.03 64.47 Favored Pre-proline 0 CA--C 1.556 1.181 0 O-C-N 118.541 -2.599 . . . . 0.0 107.577 -176.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -45.94 169.63 0.04 OUTLIER 'Trans proline' 0 C--N 1.408 3.71 0 CA-C-O 126.041 2.434 . . . . 0.0 113.946 164.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 174.92 177.31 43.93 Favored Glycine 0 CA--C 1.467 -2.964 0 CA-C-N 110.42 -3.082 . . . . 0.0 107.63 173.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -159.29 103.03 1.61 Allowed 'General case' 0 C--O 1.263 1.804 0 C-N-CA 130.127 3.371 . . . . 0.0 111.535 -173.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.422 ' HB2' HD21 ' A' ' 80' ' ' LEU . 43.4 mtm-85 -150.02 172.14 15.72 Favored 'General case' 0 CA--C 1.571 1.776 0 C-N-CA 129.619 3.168 . . . . 0.0 112.356 -161.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -71.78 175.94 5.32 Favored 'General case' 0 CA--C 1.593 2.603 0 CA-C-N 122.344 2.338 . . . . 0.0 108.853 159.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -135.05 158.02 45.42 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 112.887 -1.96 . . . . 0.0 111.886 168.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.0 t -129.65 113.24 26.68 Favored 'Isoleucine or valine' 0 C--O 1.253 1.254 0 CA-C-N 118.603 0.638 . . . . 0.0 111.031 -174.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 16.8 m -134.02 164.4 34.62 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 O-C-N 120.283 -1.511 . . . . 0.0 114.988 -160.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -112.33 151.94 29.14 Favored 'General case' 0 C--O 1.246 0.898 0 C-N-CA 125.237 1.415 . . . . 0.0 112.32 173.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 63.5 m -137.23 157.68 46.12 Favored 'General case' 0 N--CA 1.512 2.655 0 C-N-CA 128.323 2.649 . . . . 0.0 110.425 -172.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -152.4 171.59 17.8 Favored 'General case' 0 CA--C 1.59 2.481 0 C-N-CA 128.144 2.578 . . . . 0.0 108.816 -165.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -61.65 145.75 51.25 Favored 'General case' 0 N--CA 1.405 -2.687 0 O-C-N 128.236 3.46 . . . . 0.0 108.136 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -57.28 145.38 32.17 Favored 'General case' 0 N--CA 1.532 3.629 0 C-N-CA 128.621 2.768 . . . . 0.0 112.511 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.56 148.85 85.68 Favored Pre-proline 0 C--N 1.359 1.001 0 CA-C-O 124.144 1.926 . . . . 0.0 109.841 166.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -51.8 -25.26 20.53 Favored 'Trans proline' 0 C--N 1.403 3.426 0 C-N-CA 124.945 3.763 . . . . 0.0 115.533 172.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 53.3 mtt85 -147.81 -27.8 0.35 Allowed 'General case' 0 C--O 1.204 -1.313 0 CA-C-O 114.812 -2.518 . . . . 0.0 109.828 -164.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -83.01 144.8 29.71 Favored 'General case' 0 CA--C 1.564 1.485 0 CA-C-N 123.531 2.878 . . . . 0.0 117.481 173.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 42.6 m 48.91 57.89 18.13 Favored Pre-proline 0 C--N 1.306 -1.309 0 C-N-CA 131.441 3.897 . . . . 0.0 114.91 169.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -53.59 -11.52 2.2 Favored 'Trans proline' 0 C--N 1.394 2.945 0 N-CA-C 118.369 2.411 . . . . 0.0 118.369 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -53.69 -21.68 7.5 Favored 'General case' 0 C--O 1.256 1.432 0 O-C-N 117.573 -3.205 . . . . 0.0 110.991 176.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -127.66 133.36 25.01 Favored Pre-proline 1 N--CA 1.543 4.177 0 C-N-CA 125.933 1.693 . . . . 0.0 114.558 -166.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -69.45 -33.67 17.26 Favored 'Trans proline' 0 C--N 1.373 1.84 0 C-N-CA 124.056 3.171 . . . . 0.0 115.294 173.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 31.6 m -147.17 152.4 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 C-N-CA 128.032 2.533 . . . . 0.0 104.236 -170.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 18.8 m -132.69 138.38 31.87 Favored Pre-proline 0 CA--C 1.586 2.337 0 C-N-CA 128.157 2.583 . . . . 0.0 109.729 -171.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -60.71 148.73 90.75 Favored 'Trans proline' 0 C--O 1.257 1.451 1 C-N-CA 127.897 5.731 . . . . 0.0 106.483 166.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 34.3 m -148.42 -4.59 0.1 Allowed 'Isoleucine or valine' 1 N--CA 1.546 4.336 0 CA-C-O 115.927 -1.987 . . . . 0.0 113.213 -173.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -163.02 157.97 21.55 Favored 'General case' 0 C--O 1.283 2.833 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 52.1 tp -129.09 147.42 50.95 Favored 'General case' 0 N--CA 1.518 2.944 0 N-CA-C 105.214 -2.143 . . . . 0.0 105.214 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -123.35 -47.58 1.99 Allowed 'General case' 0 CA--C 1.594 2.655 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . 0.296 13.9 t -149.76 172.01 15.79 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-O 124.612 2.148 . . . . 0.0 107.182 176.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 70.3 p -142.79 140.1 31.23 Favored 'General case' 0 CA--C 1.577 2.009 0 N-CA-C 106.322 -1.732 . . . . 0.0 106.322 168.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.383 0.2 OUTLIER . . . . . 0 C--O 1.253 1.24 0 O-C-N 126.35 2.281 . . . . 0.0 113.548 -169.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo . . . . . 0 C--O 1.268 1.989 0 N-CA-C 110.315 -0.687 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -57.17 -24.85 61.05 Favored 'Trans proline' 0 CA--C 1.485 -1.927 0 N-CA-C 117.178 1.953 . . . . 0.0 117.178 -162.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -134.62 -1.15 2.82 Favored 'General case' 0 CA--C 1.61 3.281 0 N-CA-C 115.275 1.584 . . . . 0.0 115.275 -174.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -135.53 170.65 15.62 Favored 'General case' 0 CA--C 1.613 3.373 0 CA-C-N 120.811 1.641 . . . . 0.0 109.056 -173.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.7 p -77.4 163.81 26.05 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 126.152 2.158 . . . . 0.0 111.529 157.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -56.28 -43.66 79.05 Favored 'General case' 0 C--O 1.178 -2.679 0 O-C-N 127.107 2.754 . . . . 0.0 108.913 172.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.62 -38.25 77.15 Favored 'General case' 0 N--CA 1.5 2.047 1 O-C-N 129.753 4.408 . . . . 0.0 112.872 -178.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -62.29 -52.07 65.18 Favored 'General case' 0 C--N 1.37 1.466 0 CA-C-O 126.794 3.188 . . . . 0.0 111.032 170.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -55.42 -35.69 65.67 Favored 'General case' 0 C--O 1.265 1.887 0 O-C-N 117.318 -3.364 . . . . 0.0 117.342 176.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -51.43 -49.9 60.78 Favored 'General case' 0 C--N 1.272 -2.791 0 C-N-CA 128.028 2.531 . . . . 0.0 109.879 160.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.31 -33.36 67.31 Favored 'General case' 0 N--CA 1.518 2.939 0 CA-C-N 120.08 1.309 . . . . 0.0 112.196 -175.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.3 mt -79.37 -24.93 12.54 Favored 'Isoleucine or valine' 0 C--O 1.276 2.452 0 CA-C-O 112.489 -3.625 . . . . 0.0 108.943 173.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -80.55 -20.4 43.51 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 123.12 2.691 . . . . 0.0 112.119 172.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -149.58 -1.29 0.45 Allowed 'General case' 0 CA--C 1.604 3.025 1 N-CA-C 125.727 5.455 . . . . 0.0 125.727 -161.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.4 mm -120.11 133.98 65.09 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.967 0 C-N-CA 127.915 2.486 . . . . 0.0 106.259 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.2 t -150.66 179.24 8.35 Favored 'General case' 0 N--CA 1.522 3.165 0 CA-C-N 112.719 -2.037 . . . . 0.0 111.105 175.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.6 tp -145.8 -27.42 0.44 Allowed 'General case' 0 C--O 1.197 -1.667 0 O-C-N 117.435 -3.29 . . . . 0.0 112.56 166.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -127.56 58.13 29.5 Favored Pre-proline 0 N--CA 1.485 1.289 0 CA-C-O 114.704 -2.57 . . . . 0.0 111.367 171.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -67.16 156.23 67.2 Favored 'Trans proline' 0 CA--C 1.581 2.836 0 CA-C-N 125.766 3.095 . . . . 0.0 110.395 -163.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.441 ' HG2' ' HB2' ' A' ' 26' ' ' ALA . 98.0 Cg_endo -70.47 178.04 5.43 Favored 'Trans proline' 0 C--N 1.369 1.618 0 CA-C-N 120.948 1.374 . . . . 0.0 115.57 169.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 60.0 mmt-85 -40.27 148.99 0.08 Allowed 'General case' 0 C--N 1.309 -1.162 0 CA-C-O 116.594 -1.67 . . . . 0.0 114.35 146.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.457 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . 80.4 m -69.3 -16.38 63.54 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 127.234 2.214 . . . . 0.0 110.002 178.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.1 p -58.33 -29.75 66.17 Favored 'General case' 0 CA--C 1.566 1.562 1 C-N-CA 132.634 4.374 . . . . 0.0 109.02 169.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 32.5 mm -116.9 -41.67 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.656 0 C-N-CA 128.776 2.83 . . . . 0.0 108.919 -179.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.457 ' HB3' ' HA ' ' A' ' 23' ' ' CYS . . . -52.3 -23.5 5.9 Favored 'General case' 0 N--CA 1.52 3.057 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 88.6 mmm -87.03 -26.05 23.93 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 173.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -59.93 -29.53 68.45 Favored 'General case' 0 CA--C 1.557 1.248 0 O-C-N 119.555 -1.965 . . . . 0.0 114.33 -176.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -42.38 -31.89 0.46 Allowed 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.767 2.027 . . . . 0.0 115.394 166.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.1 pt -114.84 -40.17 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.939 0 C-N-CA 125.302 1.441 . . . . 0.0 111.71 173.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -84.07 -14.52 50.27 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 116.753 -1.594 . . . . 0.0 112.327 -161.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -98.53 -11.3 22.37 Favored 'General case' 0 C--O 1.271 2.217 0 CA-C-O 125.283 2.468 . . . . 0.0 114.258 169.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -100.52 -6.42 25.47 Favored 'General case' 0 C--O 1.278 2.589 1 C-N-CA 132.313 4.245 . . . . 0.0 108.922 -168.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -140.39 162.5 35.16 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 128.173 3.421 . . . . 0.0 114.173 -170.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.8 p-90 -71.32 -27.09 63.15 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-O 113.747 -3.025 . . . . 0.0 115.203 -164.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -135.37 175.92 9.15 Favored 'General case' 0 C--O 1.267 2.014 0 CA-C-N 123.32 2.782 . . . . 0.0 111.276 163.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.2 m -78.43 119.46 21.78 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -67.99 149.14 50.1 Favored 'General case' 0 C--O 1.243 0.76 0 C-N-CA 127.07 2.148 . . . . 0.0 112.396 170.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 62.9 t-20 -75.88 -50.06 16.15 Favored 'General case' 0 CA--C 1.592 2.572 0 O-C-N 125.831 1.957 . . . . 0.0 113.659 -168.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -135.96 155.82 49.68 Favored 'General case' 0 N--CA 1.396 -3.135 0 O-C-N 120.146 -1.596 . . . . 0.0 112.468 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -146.73 173.8 12.04 Favored 'General case' 0 C--O 1.259 1.582 0 O-C-N 117.902 -2.999 . . . . 0.0 108.537 161.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.6 m -133.75 133.3 41.57 Favored 'General case' 0 N--CA 1.51 2.569 0 O-C-N 128.236 3.46 . . . . 0.0 113.455 171.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -122.3 97.42 5.46 Favored 'General case' 0 CA--C 1.577 1.983 1 C-N-CA 132.034 4.133 . . . . 0.0 110.424 178.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.6 mt -59.65 135.29 57.63 Favored 'General case' 0 C--O 1.25 1.124 0 C-N-CA 125.95 1.7 . . . . 0.0 113.147 170.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -93.55 75.38 4.41 Favored 'General case' 0 N--CA 1.517 2.887 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 170.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -149.98 171.65 16.49 Favored 'General case' 0 N--CA 1.512 2.633 0 C-N-CA 124.277 1.031 . . . . 0.0 110.679 171.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.4 p -78.84 145.78 34.06 Favored 'General case' 0 CA--C 1.487 -1.476 0 C-N-CA 125.655 1.582 . . . . 0.0 112.037 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . 0.259 48.2 t80 -57.42 -34.62 69.1 Favored 'General case' 0 CA--C 1.584 2.269 0 O-C-N 118.245 -2.784 . . . . 0.0 111.603 170.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.99 -32.12 72.56 Favored 'General case' 0 C--O 1.264 1.851 0 N-CA-C 118.148 2.647 . . . . 0.0 118.148 174.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -68.25 -53.56 23.78 Favored 'General case' 0 CA--C 1.601 2.904 0 O-C-N 119.559 -1.963 . . . . 0.0 112.822 168.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.7 t -53.53 -38.56 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 C-N-CA 124.587 1.155 . . . . 0.0 110.58 175.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.427 HG11 ' CG ' ' A' ' 122' ' ' TYR . 69.3 t -71.3 -37.7 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 CA-C-O 123.221 1.486 . . . . 0.0 113.202 -179.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -59.4 -31.26 69.08 Favored 'General case' 0 CA--C 1.589 2.462 0 O-C-N 118.257 -2.777 . . . . 0.0 116.859 161.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.9 t -76.65 -19.37 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 CA-C-O 116.271 -1.823 . . . . 0.0 111.03 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 81.3 m -62.06 -15.12 42.43 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 163.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -108.39 18.02 33.36 Favored Glycine 0 C--N 1.371 2.509 0 O-C-N 119.725 -1.859 . . . . 0.0 112.859 175.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -79.36 171.41 15.21 Favored 'General case' 0 C--N 1.312 -1.046 0 O-C-N 118.597 -2.708 . . . . 0.0 108.365 172.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -30.59 127.15 0.15 Allowed 'General case' 0 C--N 1.385 2.146 0 O-C-N 117.252 -3.405 . . . . 0.0 112.199 170.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.0 m -93.61 72.37 4.31 Favored 'General case' 0 CA--C 1.602 2.97 0 CA-C-O 128.417 3.961 . . . . 0.0 107.318 -173.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 32.7 pt -72.68 -178.42 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 C-N-CA 129.293 3.037 . . . . 0.0 113.595 174.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.4 ptt85 -137.68 148.36 45.63 Favored 'General case' 0 N--CA 1.5 2.062 0 CA-C-O 117.093 -1.432 . . . . 0.0 113.278 -174.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . 0.257 81.8 m -136.18 165.78 33.05 Favored Pre-proline 0 C--N 1.282 -2.326 0 CA-C-N 119.268 0.94 . . . . 0.0 109.466 -169.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -63.47 -17.14 58.66 Favored 'Trans proline' 0 C--O 1.2 -1.392 0 N-CA-C 117.683 2.147 . . . . 0.0 117.683 -176.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -124.28 46.33 2.31 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.341 -1.474 . . . . 0.0 114.902 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -149.29 3.36 0.58 Allowed 'General case' 0 C--O 1.275 2.404 0 C-N-CA 128.398 2.679 . . . . 0.0 114.3 -162.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.5 ptt-85 -48.49 -27.14 2.51 Favored 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 116.644 2.09 . . . . 0.0 116.644 177.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.2 p -72.28 -21.33 61.37 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 117.197 -1.382 . . . . 0.0 111.968 -172.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -127.89 -22.77 3.47 Favored 'General case' 0 C--O 1.197 -1.674 0 N-CA-C 118.025 2.602 . . . . 0.0 118.025 163.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 43.2 t30 64.42 35.87 9.31 Favored 'General case' 0 C--O 1.207 -1.184 0 C-N-CA 126.27 1.828 . . . . 0.0 108.833 170.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -137.28 115.54 11.76 Favored 'General case' 0 N--CA 1.489 1.49 1 C-N-CA 131.994 4.118 . . . . 0.0 109.934 173.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 32.1 p -147.48 171.16 15.96 Favored 'General case' 0 N--CA 1.533 3.68 0 C-N-CA 131.471 3.908 . . . . 0.0 108.163 173.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -148.08 149.08 31.41 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 118.536 -2.602 . . . . 0.0 108.533 -174.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -111.92 169.71 8.65 Favored 'General case' 0 CA--C 1.571 1.777 0 O-C-N 119.835 -1.791 . . . . 0.0 111.421 159.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.4 p -71.97 174.94 6.33 Favored 'General case' 0 C--N 1.377 1.776 0 O-C-N 127.74 3.15 . . . . 0.0 107.202 -162.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -97.03 -35.39 10.85 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 127.775 2.43 . . . . 0.0 115.968 170.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -148.2 153.18 38.43 Favored 'General case' 0 CA--C 1.611 3.304 0 C-N-CA 127.237 2.215 . . . . 0.0 105.241 -169.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 31.0 mtm180 -78.57 150.4 32.81 Favored 'General case' 0 C--N 1.38 1.903 0 CA-C-O 123.842 1.782 . . . . 0.0 114.178 173.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.1 m -130.6 158.54 74.39 Favored Pre-proline 0 N--CA 1.51 2.527 0 CA-C-N 110.052 -3.249 . . . . 0.0 110.226 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.61 159.68 45.49 Favored 'Trans proline' 0 C--O 1.269 2.067 0 O-C-N 124.506 1.793 . . . . 0.0 110.95 171.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.587 HD12 ' C ' ' A' ' 80' ' ' LEU . 3.4 pp -156.4 170.03 23.24 Favored 'General case' 0 C--N 1.279 -2.474 0 O-C-N 119.629 -1.919 . . . . 0.0 110.754 177.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.0 tp -114.03 126.45 55.14 Favored 'General case' 0 C--O 1.265 1.879 0 N-CA-C 118.041 2.608 . . . . 0.0 118.041 161.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -105.24 145.34 30.79 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 127.1 2.16 . . . . 0.0 111.42 165.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 95.8 m -134.92 150.07 50.35 Favored 'General case' 0 C--N 1.368 1.393 0 CA-C-O 116.425 -1.75 . . . . 0.0 113.064 -173.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -152.48 100.87 2.61 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 124.618 3.372 . . . . 0.0 108.37 -143.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.3 tp -64.2 126.29 27.26 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 116.978 -1.487 . . . . 0.0 110.078 178.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 21.7 pt -61.79 -37.91 79.23 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 CA-C-O 114.956 -2.449 . . . . 0.0 115.341 -174.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -148.2 113.46 3.85 Favored Pre-proline 0 N--CA 1.497 1.911 0 O-C-N 126.549 2.406 . . . . 0.0 110.481 -174.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -52.68 -26.87 31.31 Favored 'Trans proline' 0 CA--C 1.487 -1.853 1 CA-C-O 108.88 -4.717 . . . . 0.0 111.712 -178.796 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -37.07 -42.35 0.77 Allowed Glycine 0 N--CA 1.493 2.471 0 CA-C-N 125.019 3.554 . . . . 0.0 120.215 164.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.36 144.53 37.91 Favored 'General case' 0 C--N 1.29 -1.982 0 CA-C-N 121.377 2.589 . . . . 0.0 112.263 -165.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -145.81 -9.48 0.54 Allowed 'General case' 0 N--CA 1.509 2.484 0 N-CA-C 115.917 1.821 . . . . 0.0 115.917 -175.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -93.72 125.49 38.36 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 116.274 -1.822 . . . . 0.0 113.397 168.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 42.1 pt -43.09 -32.67 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 CA-C-N 123.86 3.027 . . . . 0.0 116.141 -179.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.7 m -63.04 -42.57 99.78 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 131.128 3.771 . . . . 0.0 112.105 -175.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . 0.253 18.3 t-20 -104.77 -30.57 9.82 Favored 'General case' 0 N--CA 1.395 -3.18 0 C-N-CA 127.759 2.424 . . . . 0.0 112.011 -177.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 60.6 m -52.38 130.29 30.82 Favored 'General case' 0 CA--C 1.568 1.667 0 CA-C-O 126.655 3.121 . . . . 0.0 113.853 168.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -134.36 150.06 50.89 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-N 112.019 -2.355 . . . . 0.0 110.599 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -133.81 157.5 45.75 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 111.786 -2.461 . . . . 0.0 116.802 -167.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.415 ' HB1' ' NH1' ' A' ' 101' ' ' ARG . . . -125.1 153.01 43.62 Favored 'General case' 0 C--O 1.268 2.059 0 CA-C-N 113.81 -1.541 . . . . 0.0 110.599 -173.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -106.96 115.3 29.94 Favored 'General case' 0 C--N 1.289 -2.063 0 C-N-CA 129.495 3.118 . . . . 0.0 109.508 -165.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.415 ' NH1' ' HB1' ' A' ' 99' ' ' ALA . 0.9 OUTLIER -129.51 76.01 79.2 Favored Pre-proline 0 CA--C 1.57 1.723 0 N-CA-C 105.002 -2.221 . . . . 0.0 105.002 -178.232 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -73.17 167.12 28.16 Favored 'Trans proline' 0 C--O 1.267 1.942 0 O-C-N 123.681 1.358 . . . . 0.0 108.977 164.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 168.62 -158.63 31.4 Favored Glycine 1 N--CA 1.525 4.623 0 CA-C-N 112.865 -1.97 . . . . 0.0 110.263 -174.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -146.99 128.69 15.2 Favored 'General case' 0 C--N 1.394 2.517 0 CA-C-O 112.703 -3.523 . . . . 0.0 113.974 -175.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -153.0 160.97 43.06 Favored 'General case' 0 CA--C 1.557 1.248 0 CA-C-N 124.221 3.191 . . . . 0.0 112.183 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -58.43 177.03 0.15 Allowed 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 118.638 2.829 . . . . 0.0 118.638 156.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -138.45 163.07 32.87 Favored 'General case' 0 CA--C 1.583 2.225 0 N-CA-C 116.444 2.016 . . . . 0.0 116.444 167.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.2 t -132.39 131.38 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.18 0 N-CA-C 104.684 -2.339 . . . . 0.0 104.684 176.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.9 m -133.72 149.51 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 C-N-CA 129.169 2.988 . . . . 0.0 111.788 -163.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.84 150.53 30.25 Favored 'General case' 0 C--N 1.366 1.322 0 O-C-N 119.978 -1.701 . . . . 0.0 110.533 161.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 61.1 m -129.06 162.72 27.02 Favored 'General case' 0 C--O 1.25 1.129 0 O-C-N 124.698 1.249 . . . . 0.0 113.921 -178.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -138.82 -178.63 5.41 Favored 'General case' 0 C--O 1.177 -2.746 0 C-N-CA 123.167 0.587 . . . . 0.0 110.602 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -76.04 163.09 27.49 Favored 'General case' 0 CA--C 1.586 2.347 0 N-CA-C 116.007 1.854 . . . . 0.0 116.007 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -61.27 143.13 56.2 Favored 'General case' 0 C--O 1.196 -1.763 0 O-C-N 120.838 -1.164 . . . . 0.0 110.593 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . 0.282 5.5 t70 -65.72 157.2 80.41 Favored Pre-proline 0 C--O 1.189 -2.104 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 149.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . 0.348 52.7 Cg_exo -50.65 -34.19 42.5 Favored 'Trans proline' 0 CA--C 1.577 2.665 0 CA-C-O 114.706 -2.289 . . . . 0.0 111.714 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -131.65 -23.47 2.31 Favored 'General case' 0 CA--C 1.494 -1.206 0 CA-C-N 122.729 2.513 . . . . 0.0 115.822 -159.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -84.17 139.86 32.12 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 117.106 -3.497 . . . . 0.0 107.229 -175.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 43.7 m 38.25 61.81 4.44 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 129.906 3.282 . . . . 0.0 110.436 176.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -77.56 10.84 2.37 Favored 'Trans proline' 0 N--CA 1.435 -1.965 0 C-N-CA 124.176 3.251 . . . . 0.0 114.894 -168.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 35.4 ttt-85 -77.94 -14.13 59.64 Favored 'General case' 0 C--O 1.17 -3.09 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 172.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.427 ' CG ' HG11 ' A' ' 52' ' ' VAL . 5.5 m-85 -128.45 131.64 23.89 Favored Pre-proline 0 C--O 1.258 1.521 0 O-C-N 119.191 -2.193 . . . . 0.0 114.974 -164.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -71.52 -16.47 30.61 Favored 'Trans proline' 0 C--N 1.377 2.062 0 CA-C-N 123.113 2.148 . . . . 0.0 112.391 178.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.2 m -149.56 165.84 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.473 0 CA-C-O 116.678 -1.629 . . . . 0.0 114.413 -172.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.58 138.47 10.57 Favored Pre-proline 0 C--O 1.259 1.595 0 O-C-N 124.706 1.254 . . . . 0.0 111.141 -161.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -57.31 141.45 94.7 Favored 'Trans proline' 1 N--CA 1.367 -5.914 1 C-N-CA 126.115 4.543 . . . . 0.0 113.297 171.628 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 34.4 m -137.22 -17.74 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.769 0 N-CA-C 118.478 2.77 . . . . 0.0 118.478 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -143.42 158.45 43.63 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 117.154 -1.403 . . . . 0.0 113.898 173.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 22.3 tp -116.7 127.64 54.6 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 113.741 -3.028 . . . . 0.0 110.082 176.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.474 ' O ' ' HB ' ' A' ' 131' ' ' THR . 27.5 t70 -104.58 -35.43 7.85 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-N 123.84 3.018 . . . . 0.0 109.82 -168.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . 0.474 ' HB ' ' O ' ' A' ' 130' ' ' ASP . 15.1 t -166.76 -173.99 2.6 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 124.543 1.137 . . . . 0.0 113.049 160.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 58.5 p -134.69 144.17 47.63 Favored 'General case' 0 N--CA 1.539 3.976 0 O-C-N 118.953 -2.342 . . . . 0.0 114.056 160.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.35 0.2 OUTLIER . . . . . 0 C--N 1.393 2.486 0 CA-C-N 121.819 2.1 . . . . 0.0 112.891 -162.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo . . . . . 0 CA--C 1.562 1.88 0 N-CA-C 114.071 0.758 . . . . 0.0 114.071 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -74.42 -24.92 13.64 Favored 'Trans proline' 0 CA--C 1.566 2.085 0 N-CA-C 119.162 2.716 . . . . 0.0 119.162 -169.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -138.69 3.91 2.31 Favored 'General case' 0 N--CA 1.512 2.635 0 N-CA-C 119.804 3.261 . . . . 0.0 119.804 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -144.07 153.23 41.97 Favored 'General case' 0 N--CA 1.511 2.619 0 C-N-CA 124.446 1.098 . . . . 0.0 109.369 177.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.0 p -77.3 162.32 27.4 Favored 'General case' 0 C--O 1.262 1.715 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.18 164.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -62.33 -31.68 72.34 Favored 'General case' 0 CA--C 1.556 1.184 0 CA-C-O 112.99 -3.386 . . . . 0.0 108.06 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.9 -27.49 62.87 Favored 'General case' 0 CA--C 1.609 3.225 0 CA-C-N 122.757 2.526 . . . . 0.0 113.266 176.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -74.53 -37.08 63.16 Favored 'General case' 0 CA--C 1.569 1.687 0 C-N-CA 128.323 2.649 . . . . 0.0 109.606 169.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -70.57 -46.6 63.19 Favored 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 116.638 2.088 . . . . 0.0 116.638 174.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -33.86 -56.54 0.47 Allowed 'General case' 0 N--CA 1.438 -1.025 0 C-N-CA 127.407 2.283 . . . . 0.0 115.53 158.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.25 -51.35 61.36 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 124.893 1.277 . . . . 0.0 112.335 -177.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.0 mt -59.66 -25.61 32.35 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.994 0 O-C-N 127.928 3.268 . . . . 0.0 110.193 -174.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -88.55 -23.74 23.08 Favored 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 117.228 2.307 . . . . 0.0 117.228 174.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -137.42 -12.55 1.58 Allowed 'General case' 0 C--O 1.26 1.634 0 O-C-N 119.748 -1.845 . . . . 0.0 114.089 -166.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.1 mm -114.97 133.9 59.72 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.359 0 O-C-N 116.554 -3.841 . . . . 0.0 112.818 -169.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.1 t -161.94 -178.15 6.27 Favored 'General case' 0 CA--C 1.583 2.231 0 CA-C-N 112.572 -2.104 . . . . 0.0 111.036 -159.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.6 tp -158.31 -22.97 0.08 Allowed 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 112.411 -2.177 . . . . 0.0 113.315 172.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -157.92 72.04 4.14 Favored Pre-proline 0 CA--C 1.592 2.558 0 CA-C-N 124.844 3.474 . . . . 0.0 106.856 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.33 151.98 49.15 Favored 'Trans proline' 0 C--N 1.398 3.144 0 CA-C-O 122.68 1.033 . . . . 0.0 112.233 -165.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -70.48 174.6 9.89 Favored 'Trans proline' 0 CA--C 1.577 2.628 0 CA-C-O 123.662 1.442 . . . . 0.0 111.021 170.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.4 mmt-85 -58.79 152.98 17.87 Favored 'General case' 0 N--CA 1.428 -1.571 1 O-C-N 115.593 -4.442 . . . . 0.0 109.407 175.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.522 ' SG ' ' HA ' ' A' ' 100' ' ' ASP . 5.6 m -48.65 -34.86 12.59 Favored 'General case' 0 C--N 1.399 2.726 0 C-N-CA 127.945 2.498 . . . . 0.0 113.672 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.3 p -48.6 -48.18 39.37 Favored 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 131.462 3.905 . . . . 0.0 108.813 170.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 37.4 mm -89.24 -35.82 8.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 O-C-N 118.247 -2.783 . . . . 0.0 114.438 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.87 -39.91 55.59 Favored 'General case' 0 N--CA 1.511 2.586 0 O-C-N 119.7 -1.875 . . . . 0.0 113.616 -173.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 83.4 mmm -62.99 -16.15 58.7 Favored 'General case' 0 C--N 1.41 3.213 0 O-C-N 120.146 -1.596 . . . . 0.0 112.168 172.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -65.91 -17.72 64.85 Favored 'General case' 0 N--CA 1.508 2.444 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 165.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.71 -36.77 72.46 Favored 'General case' 0 N--CA 1.411 -2.391 0 O-C-N 119.934 -1.729 . . . . 0.0 114.576 171.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 pt -97.87 -59.87 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.547 0 CA-C-O 123.746 1.736 . . . . 0.0 108.679 173.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -76.45 -11.41 59.88 Favored 'General case' 0 CA--C 1.562 1.438 0 O-C-N 116.783 -3.698 . . . . 0.0 114.994 -159.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -102.69 27.09 7.24 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 128.921 2.888 . . . . 0.0 117.53 165.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -144.09 -37.86 0.31 Allowed 'General case' 0 N--CA 1.498 1.972 0 CA-C-O 114.102 -2.856 . . . . 0.0 105.363 -175.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -86.5 163.53 17.47 Favored 'General case' 0 CA--C 1.571 1.767 0 CA-C-N 120.821 1.646 . . . . 0.0 110.16 170.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 16.1 p-90 -57.05 -29.44 63.41 Favored 'General case' 0 N--CA 1.393 -3.318 1 N-CA-C 122.345 4.202 . . . . 0.0 122.345 174.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -132.39 170.51 14.99 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 127.599 2.36 . . . . 0.0 114.446 171.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 78.3 m -58.4 172.27 0.49 Allowed 'General case' 0 N--CA 1.5 2.04 0 O-C-N 127.239 2.837 . . . . 0.0 116.966 165.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -149.54 144.82 26.49 Favored 'General case' 0 CA--C 1.502 -0.896 0 C-N-CA 131.562 3.945 . . . . 0.0 110.343 172.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -66.97 -48.82 67.35 Favored 'General case' 0 N--CA 1.403 -2.822 0 N-CA-C 121.52 3.896 . . . . 0.0 121.52 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -141.81 150.91 42.28 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-O 123.464 1.602 . . . . 0.0 106.906 -176.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -151.34 148.97 28.79 Favored 'General case' 0 N--CA 1.503 2.185 0 C-N-CA 127.409 2.284 . . . . 0.0 113.611 163.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.2 m -114.82 142.24 46.82 Favored 'General case' 0 C--O 1.195 -1.797 0 O-C-N 128.685 3.74 . . . . 0.0 108.936 174.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -124.0 151.64 43.49 Favored 'General case' 0 CA--C 1.581 2.168 0 O-C-N 118.07 -2.894 . . . . 0.0 112.397 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.3 mt -136.46 132.59 35.58 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-N 121.531 1.969 . . . . 0.0 113.438 -166.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -92.78 77.82 4.82 Favored 'General case' 0 N--CA 1.395 -3.221 0 C-N-CA 128.612 2.765 . . . . 0.0 111.483 -174.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.9 t -153.14 159.15 42.68 Favored 'General case' 0 CA--C 1.558 1.268 0 CA-C-N 111.894 -2.412 . . . . 0.0 115.446 -178.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.9 p -74.71 127.31 32.83 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-O 114.333 -2.746 . . . . 0.0 110.893 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -40.63 -42.45 1.71 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 128.901 2.88 . . . . 0.0 108.282 170.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.17 -46.27 54.07 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 129.199 2.999 . . . . 0.0 116.307 170.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -69.29 -35.19 75.76 Favored 'General case' 0 C--N 1.282 -2.331 0 CA-C-N 121.326 1.876 . . . . 0.0 110.66 176.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.0 t -68.75 -36.58 74.96 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.289 0 O-C-N 117.78 -3.075 . . . . 0.0 111.217 177.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.41 ' O ' ' HB2' ' A' ' 55' ' ' CYS . 82.0 t -62.28 -47.29 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 125.239 1.587 . . . . 0.0 114.988 161.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . 0.301 21.6 t-20 -52.03 -36.68 50.95 Favored 'General case' 0 CA--C 1.585 2.308 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 165.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.1 t -72.36 -36.85 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.993 0 O-C-N 119.468 -2.02 . . . . 0.0 111.943 176.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 63.3 m -56.72 -10.25 0.98 Allowed 'General case' 0 CA--C 1.592 2.591 0 N-CA-C 117.439 2.385 . . . . 0.0 117.439 157.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.15 -26.31 19.14 Favored Glycine 1 CA--C 1.583 4.285 0 CA-C-O 126.785 3.436 . . . . 0.0 110.296 176.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -62.13 164.16 7.19 Favored 'General case' 0 N--CA 1.506 2.354 0 N-CA-C 118.798 2.888 . . . . 0.0 118.798 170.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -34.32 136.64 0.13 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 128.312 2.645 . . . . 0.0 113.6 174.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 m -73.93 131.32 41.33 Favored 'General case' 0 N--CA 1.525 3.299 0 CA-C-O 117.12 -1.419 . . . . 0.0 112.921 174.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.56 HG13 ' SG ' ' A' ' 71' ' ' CYS . 20.9 pt -136.98 -162.65 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.251 1.183 0 O-C-N 124.456 1.097 . . . . 0.0 108.923 174.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -147.46 153.07 39.11 Favored 'General case' 0 N--CA 1.517 2.893 0 C-N-CA 119.517 -0.873 . . . . 0.0 109.539 -175.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 68.0 m -143.88 153.36 57.32 Favored Pre-proline 0 CA--C 1.607 3.146 0 CA-C-O 116.015 -1.945 . . . . 0.0 109.887 -151.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -54.09 -8.88 1.13 Allowed 'Trans proline' 0 C--O 1.244 0.777 1 N-CA-C 122.965 4.179 . . . . 0.0 122.965 177.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 53.1 m80 -132.86 27.03 4.3 Favored 'General case' 0 CA--C 1.599 2.839 0 CA-C-O 116.466 -1.73 . . . . 0.0 109.817 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -130.49 -5.51 4.21 Favored 'General case' 0 N--CA 1.515 2.794 0 N-CA-C 116.5 2.037 . . . . 0.0 116.5 -168.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.3 ptt-85 -46.07 -17.16 0.03 OUTLIER 'General case' 0 C--N 1.39 2.338 0 O-C-N 119.585 -1.947 . . . . 0.0 116.161 170.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -43.59 -36.1 1.98 Allowed 'General case' 0 N--CA 1.422 -1.839 0 O-C-N 116.937 -3.602 . . . . 0.0 114.95 155.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -150.17 3.32 0.51 Allowed 'General case' 0 N--CA 1.513 2.682 0 CA-C-N 124.576 3.353 . . . . 0.0 113.558 173.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 44.08 47.19 7.37 Favored 'General case' 0 C--O 1.284 2.885 0 C-N-CA 127.432 2.293 . . . . 0.0 114.203 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -134.36 117.91 16.87 Favored 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 125.029 1.331 . . . . 0.0 112.265 166.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.56 ' SG ' HG13 ' A' ' 60' ' ' ILE . 31.3 p -145.2 -178.16 5.92 Favored 'General case' 0 C--N 1.31 -1.14 0 C-N-CA 129.104 2.961 . . . . 0.0 108.336 175.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.49 ' O ' HG13 ' A' ' 108' ' ' VAL . 96.6 m-70 -148.75 168.92 21.64 Favored 'General case' 0 CA--C 1.446 -3.039 0 C-N-CA 126.138 1.775 . . . . 0.0 112.772 -174.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 29.9 ptt85 -146.33 151.93 38.31 Favored 'General case' 0 N--CA 1.503 2.177 0 CA-C-N 114.08 -1.418 . . . . 0.0 110.474 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 67.8 p -63.77 155.69 29.51 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 126.361 2.288 . . . . 0.0 113.728 -170.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.6 mtt-85 -85.1 -38.03 19.58 Favored 'General case' 0 C--O 1.257 1.456 0 C-N-CA 125.668 1.587 . . . . 0.0 114.263 174.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -142.61 152.06 42.12 Favored 'General case' 0 CA--C 1.574 1.902 1 C-N-CA 132.328 4.251 . . . . 0.0 108.738 -176.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -73.09 167.6 20.8 Favored 'General case' 0 C--O 1.214 -0.776 0 N-CA-C 118.742 2.867 . . . . 0.0 118.742 178.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.2 m -135.85 148.03 63.53 Favored Pre-proline 0 C--N 1.379 1.884 0 CA-C-O 115.873 -2.013 . . . . 0.0 110.137 175.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -60.96 141.02 93.24 Favored 'Trans proline' 0 CA--C 1.511 -0.674 0 O-C-N 128.614 3.955 . . . . 0.0 109.741 168.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 pp -140.45 160.93 38.92 Favored 'General case' 0 CA--C 1.503 -0.852 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 34.6 tp -117.26 124.99 50.38 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 129.848 3.259 . . . . 0.0 110.139 174.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -117.61 138.13 52.16 Favored 'General case' 0 CA--C 1.595 2.707 0 C-N-CA 127.132 2.173 . . . . 0.0 106.424 176.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 97.2 m -114.44 160.33 19.3 Favored 'General case' 0 C--N 1.291 -1.944 0 CA-C-N 113.067 -1.878 . . . . 0.0 110.736 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -158.22 115.56 2.91 Favored 'General case' 0 N--CA 1.505 2.3 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 -156.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 24.0 tp -86.87 129.86 34.7 Favored 'General case' 0 C--N 1.37 1.461 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -177.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.288 35.8 pt -43.8 -41.6 1.62 Allowed 'Isoleucine or valine' 0 C--O 1.283 2.83 0 N-CA-C 119.405 3.113 . . . . 0.0 119.405 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -139.59 109.36 7.3 Favored Pre-proline 0 C--O 1.21 -0.996 0 C-N-CA 131.517 3.927 . . . . 0.0 113.292 177.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -42.09 -24.32 0.31 Allowed 'Trans proline' 0 CA--C 1.57 2.277 1 C-N-CA 128.587 6.191 . . . . 0.0 120.976 166.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -93.19 12.58 69.53 Favored Glycine 0 CA--C 1.565 3.208 0 O-C-N 124.997 1.436 . . . . 0.0 111.806 -176.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -99.25 146.96 25.65 Favored 'General case' 0 N--CA 1.506 2.373 0 O-C-N 118.443 -2.798 . . . . 0.0 110.27 176.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -134.91 -16.07 1.98 Allowed 'General case' 0 CA--C 1.58 2.103 0 O-C-N 117.782 -3.074 . . . . 0.0 108.733 -156.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -114.2 136.23 53.18 Favored 'General case' 0 CA--C 1.588 2.435 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -164.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 9.0 pt -45.91 -46.05 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.132 0 O-C-N 117.532 -3.23 . . . . 0.0 117.756 174.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.5 m -81.58 13.86 2.87 Favored 'General case' 0 C--O 1.276 2.478 0 C-N-CA 128.095 2.558 . . . . 0.0 113.78 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -136.55 -36.56 0.71 Allowed 'General case' 0 C--N 1.37 1.481 0 CA-C-O 114.274 -2.774 . . . . 0.0 107.81 174.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 56.2 m -66.58 141.28 57.89 Favored 'General case' 0 N--CA 1.413 -2.295 0 CA-C-N 123.848 3.022 . . . . 0.0 111.604 175.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -149.83 157.44 43.2 Favored 'General case' 0 N--CA 1.432 -1.33 0 C-N-CA 130.185 3.394 . . . . 0.0 112.655 178.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -139.71 156.01 47.04 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 115.887 1.81 . . . . 0.0 115.887 -163.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -122.54 153.81 38.73 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 116.867 -1.54 . . . . 0.0 112.667 172.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.522 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -80.75 146.98 30.73 Favored 'General case' 0 N--CA 1.524 3.234 0 CA-C-N 119.876 1.216 . . . . 0.0 111.348 177.538 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -141.36 75.23 23.2 Favored Pre-proline 0 N--CA 1.424 -1.743 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 160.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . 0.466 13.0 Cg_endo -51.65 143.94 35.44 Favored 'Trans proline' 0 CA--C 1.556 1.579 1 C-N-CA 128.994 6.463 . . . . 0.0 114.175 167.769 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -160.28 -176.14 32.04 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 107.239 -2.344 . . . . 0.0 107.239 -165.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -155.17 119.9 4.8 Favored 'General case' 1 N--CA 1.543 4.211 0 CA-C-N 113.616 -1.292 . . . . 0.0 108.359 163.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 73.2 mtm-85 -137.76 175.98 9.11 Favored 'General case' 0 C--O 1.257 1.485 0 C-N-CA 126.607 1.963 . . . . 0.0 111.982 178.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -87.93 167.67 13.53 Favored 'General case' 0 C--N 1.376 1.719 0 N-CA-C 106.779 -1.563 . . . . 0.0 106.779 167.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -148.25 166.87 26.66 Favored 'General case' 0 C--O 1.247 0.937 0 O-C-N 120.33 -1.481 . . . . 0.0 114.73 -176.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 72' ' ' HIS . 42.6 t -134.43 143.96 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.301 0 C-N-CA 126.26 1.824 . . . . 0.0 106.975 -173.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 10.0 m -141.25 164.58 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.469 -178.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -121.09 153.76 37.02 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 102.047 -3.316 . . . . 0.0 102.047 161.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 77.7 m -139.95 158.24 44.39 Favored 'General case' 0 C--O 1.193 -1.899 0 C-N-CA 126.85 2.06 . . . . 0.0 113.728 -161.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -138.63 173.97 11.03 Favored 'General case' 0 CA--C 1.548 0.865 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 176.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -69.62 158.99 34.25 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 116.918 -3.614 . . . . 0.0 110.863 169.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -66.36 174.55 2.63 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 116.874 2.176 . . . . 0.0 116.874 -175.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -116.16 134.55 22.77 Favored Pre-proline 0 CA--C 1.561 1.369 0 CA-C-N 113.156 -1.838 . . . . 0.0 113.326 164.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -47.45 -13.26 0.15 Allowed 'Trans proline' 1 N--CA 1.542 4.346 1 N-CA-C 122.509 4.003 . . . . 0.0 122.509 177.483 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . 0.269 67.1 mtt85 -133.45 16.27 4.04 Favored 'General case' 0 C--O 1.187 -2.189 0 C-N-CA 126.966 2.106 . . . . 0.0 114.203 -172.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -140.29 145.96 37.94 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-N 112.162 -2.29 . . . . 0.0 114.515 174.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . 0.273 3.5 m 39.28 56.52 6.02 Favored Pre-proline 0 N--CA 1.492 1.642 0 C-N-CA 128.032 2.533 . . . . 0.0 112.694 -177.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -55.46 -20.86 27.9 Favored 'Trans proline' 0 C--N 1.381 2.269 1 C-N-CA 127.647 5.565 . . . . 0.0 116.352 -171.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 33.8 ttt85 -67.89 -17.31 64.44 Favored 'General case' 0 CA--C 1.593 2.63 0 CA-C-O 115.146 -2.359 . . . . 0.0 115.996 175.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -126.68 148.81 66.31 Favored Pre-proline 0 N--CA 1.527 3.384 0 CA-C-N 121.077 1.762 . . . . 0.0 113.918 -164.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -78.65 -24.19 7.63 Favored 'Trans proline' 0 CA--C 1.567 2.14 0 CA-C-N 121.378 1.528 . . . . 0.0 114.251 174.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 29.8 m -137.36 160.18 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 CA-C-O 124.614 2.15 . . . . 0.0 110.097 -177.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 4.0 m -126.37 149.25 66.84 Favored Pre-proline 0 C--O 1.29 3.209 0 O-C-N 117.37 -3.331 . . . . 0.0 116.947 171.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -73.16 147.32 42.38 Favored 'Trans proline' 0 C--N 1.3 -2.019 1 C-N-CA 128.109 5.872 . . . . 0.0 110.561 164.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.4 m -137.7 -14.35 0.59 Allowed 'Isoleucine or valine' 1 N--CA 1.54 4.027 0 N-CA-C 115.547 1.684 . . . . 0.0 115.547 -174.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -161.75 126.42 3.4 Favored 'General case' 0 N--CA 1.51 2.539 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 172.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 8.5 tp -76.32 117.72 18.28 Favored 'General case' 0 C--O 1.187 -2.219 0 C-N-CA 128.858 2.863 . . . . 0.0 103.548 172.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -86.36 -47.53 9.27 Favored 'General case' 0 C--N 1.287 -2.146 0 N-CA-C 116.882 2.179 . . . . 0.0 116.882 174.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 5.2 t -161.91 173.42 14.52 Favored 'General case' 0 C--O 1.205 -1.239 0 CA-C-N 122.385 2.357 . . . . 0.0 113.652 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 64.5 p -126.96 158.74 36.05 Favored 'General case' 0 CA--C 1.491 -1.29 0 O-C-N 126.699 2.5 . . . . 0.0 107.655 169.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.265 0.2 OUTLIER . . . . . 0 N--CA 1.512 2.664 0 CA-C-O 114.309 -2.758 . . . . 0.0 112.101 -173.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.4 mtp85 . . . . . 0 C--O 1.243 0.736 0 N-CA-C 103.725 -2.694 . . . . 0.0 103.725 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -54.2 163.77 3.17 Favored 'Trans proline' 0 CA--C 1.576 2.621 0 O-C-N 127.662 3.454 . . . . 0.0 115.263 155.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -53.37 -33.15 65.18 Favored 'Trans proline' 0 C--O 1.288 2.992 1 C-N-CA 128.119 5.879 . . . . 0.0 112.139 -168.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -128.73 1.99 5.46 Favored 'General case' 0 CA--C 1.616 3.513 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -173.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.403 ' CZ ' HD13 ' A' ' 13' ' ' ILE . 11.0 m-85 -160.57 170.34 21.08 Favored 'General case' 0 C--N 1.359 0.982 0 O-C-N 117.912 -2.993 . . . . 0.0 111.712 -174.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.0 p -68.3 165.97 17.47 Favored 'General case' 0 C--N 1.291 -1.944 0 O-C-N 126.491 2.369 . . . . 0.0 111.828 161.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -60.71 -56.83 16.54 Favored 'General case' 0 C--N 1.37 1.477 0 O-C-N 119.483 -2.011 . . . . 0.0 107.439 172.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.62 -39.62 68.11 Favored 'General case' 0 CA--C 1.592 2.566 0 N-CA-C 115.749 1.759 . . . . 0.0 115.749 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -68.41 -43.65 76.75 Favored 'General case' 0 N--CA 1.508 2.471 0 C-N-CA 118.314 -1.354 . . . . 0.0 110.663 174.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.25 51.5 t-105 -59.81 -41.54 91.48 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-O 122.346 1.07 . . . . 0.0 109.192 -177.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -57.39 -40.3 77.95 Favored 'General case' 0 C--O 1.265 1.873 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 171.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.57 -50.45 51.64 Favored 'General case' 0 CA--C 1.561 1.381 0 C-N-CA 127.19 2.196 . . . . 0.0 110.552 175.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.403 HD13 ' CZ ' ' A' ' 5' ' ' PHE . 61.4 mt -56.61 -30.52 32.13 Favored 'Isoleucine or valine' 0 C--O 1.26 1.618 0 CA-C-O 113.449 -3.167 . . . . 0.0 110.267 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -86.63 -42.67 13.25 Favored 'General case' 0 N--CA 1.397 -3.114 0 C-N-CA 131.381 3.872 . . . . 0.0 106.952 -178.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -132.73 -7.21 3.19 Favored 'General case' 0 C--N 1.403 2.927 0 N-CA-C 116.937 2.199 . . . . 0.0 116.937 -158.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.5 mm -119.82 112.15 35.72 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.241 0 CA-C-N 121.947 2.158 . . . . 0.0 106.86 -173.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.1 m -158.29 90.27 1.03 Allowed 'General case' 1 N--CA 1.551 4.591 0 N-CA-C 104.78 -2.304 . . . . 0.0 104.78 -152.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.0 tp -71.02 -32.98 69.9 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-O 115.945 -1.979 . . . . 0.0 111.943 -174.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -147.95 69.67 10.98 Favored Pre-proline 0 C--N 1.279 -2.494 0 C-N-CA 125.673 1.589 . . . . 0.0 107.764 -173.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -69.55 167.12 25.09 Favored 'Trans proline' 0 N--CA 1.501 1.966 0 C-N-CA 122.4 2.066 . . . . 0.0 113.687 -172.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -80.06 173.14 13.02 Favored 'Trans proline' 0 C--O 1.21 -0.89 0 C-N-CA 122.881 2.387 . . . . 0.0 114.626 155.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.4 mmt85 -65.53 146.07 55.31 Favored 'General case' 0 CA--C 1.583 2.215 0 C-N-CA 128.844 2.857 . . . . 0.0 110.442 172.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.552 ' SG ' ' HA ' ' A' ' 100' ' ' ASP . 35.5 m -43.23 -43.98 5.04 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 129.085 2.954 . . . . 0.0 116.958 -173.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.6 p -51.04 -29.15 11.89 Favored 'General case' 0 N--CA 1.519 3.016 0 C-N-CA 127.282 2.233 . . . . 0.0 116.236 172.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 mm -91.22 -49.56 13.31 Favored 'Isoleucine or valine' 0 C--N 1.379 1.89 0 C-N-CA 128.568 2.747 . . . . 0.0 112.753 167.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.29 -36.03 74.83 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 125.424 1.703 . . . . 0.0 112.85 -169.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 42.1 mmm -58.92 -32.29 69.42 Favored 'General case' 0 CA--C 1.572 1.805 0 C-N-CA 128.05 2.54 . . . . 0.0 114.635 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.3 35.1 mtt180 -51.37 -27.89 11.1 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 127.163 2.185 . . . . 0.0 115.906 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.87 -3.0 2.94 Favored 'General case' 0 N--CA 1.421 -1.877 0 N-CA-C 117.374 2.361 . . . . 0.0 117.374 176.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.4 pt -143.96 -39.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.386 2.158 0 O-C-N 120.362 -1.461 . . . . 0.0 111.571 165.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -69.23 -27.48 65.51 Favored 'General case' 0 CA--C 1.561 1.4 0 O-C-N 117.786 -3.072 . . . . 0.0 112.641 -171.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -97.55 23.55 7.6 Favored 'General case' 0 N--CA 1.529 3.522 0 C-N-CA 127.038 2.135 . . . . 0.0 112.488 167.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -134.06 -20.35 1.94 Allowed 'General case' 0 CA--C 1.577 2.006 0 O-C-N 124.701 1.251 . . . . 0.0 114.27 173.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -108.65 155.6 20.51 Favored 'General case' 0 CA--C 1.484 -1.57 0 C-N-CA 128.169 2.587 . . . . 0.0 113.592 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -18.06 42.04 Favored 'General case' 0 C--O 1.265 1.872 0 N-CA-C 119.916 3.302 . . . . 0.0 119.916 -166.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -139.86 157.38 45.81 Favored 'General case' 0 N--CA 1.489 1.49 1 C-N-CA 132.232 4.213 . . . . 0.0 113.211 173.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 78.8 m -58.39 120.61 9.07 Favored 'General case' 0 N--CA 1.412 -2.346 0 N-CA-C 117.306 2.336 . . . . 0.0 117.306 159.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.86 ' HE2' ' HN ' ' A' ' 203' ' ' SGN . 19.9 tttt -77.64 133.52 38.39 Favored 'General case' 0 C--N 1.367 1.358 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 162.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . 0.266 9.1 t-20 -57.29 -42.1 81.08 Favored 'General case' 0 C--N 1.28 -2.447 0 C-N-CA 126.69 1.996 . . . . 0.0 113.051 -175.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -138.1 141.16 40.23 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 117.871 -3.018 . . . . 0.0 104.785 -163.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -148.64 163.25 37.83 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 116.898 2.184 . . . . 0.0 116.898 161.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.2 m -135.36 135.64 40.87 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 122.9 1.333 . . . . 0.0 109.295 -166.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -143.28 93.95 2.55 Favored 'General case' 0 C--O 1.262 1.726 0 CA-C-O 124.519 2.104 . . . . 0.0 106.783 -160.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.3 mt -71.22 116.93 12.1 Favored 'General case' 1 CA--C 1.631 4.067 0 O-C-N 117.86 -3.025 . . . . 0.0 116.984 -178.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -70.54 62.66 0.25 Allowed 'General case' 0 CA--C 1.581 2.167 0 CA-C-O 124.267 1.984 . . . . 0.0 108.263 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.1 t -138.94 166.84 23.42 Favored 'General case' 0 N--CA 1.525 3.316 0 C-N-CA 125.609 1.564 . . . . 0.0 113.488 172.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . 0.325 10.1 p -84.09 137.77 33.39 Favored 'General case' 0 N--CA 1.519 2.987 1 C-N-CA 132.731 4.412 . . . . 0.0 117.364 174.574 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -57.46 -33.42 67.95 Favored 'General case' 0 C--N 1.38 1.907 0 N-CA-C 117.816 2.524 . . . . 0.0 117.816 -177.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.77 -43.99 27.95 Favored 'General case' 0 N--CA 1.446 -0.656 1 CA-C-O 111.528 -4.082 . . . . 0.0 115.591 172.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -62.94 -43.57 98.42 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 127.304 2.877 . . . . 0.0 111.145 171.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . 0.294 2.7 t -66.79 -37.84 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 CA-C-N 113.842 -1.526 . . . . 0.0 109.317 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 42.5 t -62.43 -32.87 56.55 Favored 'Isoleucine or valine' 0 C--O 1.256 1.447 0 N-CA-C 117.617 2.451 . . . . 0.0 117.617 169.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -67.39 -33.78 75.9 Favored 'General case' 0 C--O 1.202 -1.415 0 CA-C-O 116.003 -1.951 . . . . 0.0 110.123 168.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 51.8 t -75.3 -21.38 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.4 -2.945 0 CA-C-N 123.388 2.813 . . . . 0.0 110.57 -176.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 55.2 m -86.96 25.5 1.3 Allowed 'General case' 0 N--CA 1.4 -2.933 0 C-N-CA 125.555 1.542 . . . . 0.0 113.204 162.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.35 14.19 2.99 Favored Glycine 0 CA--C 1.545 1.961 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 163.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -79.72 171.19 15.46 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 120.674 2.237 . . . . 0.0 105.33 170.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -53.53 137.9 35.31 Favored 'General case' 0 C--O 1.283 2.866 0 O-C-N 126.347 2.279 . . . . 0.0 112.489 173.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 62.3 m -69.18 124.57 24.15 Favored 'General case' 0 N--CA 1.532 3.644 0 CA-C-O 123.204 1.478 . . . . 0.0 114.853 175.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.6 pt -118.73 -168.15 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.36 0 CA-C-O 123.012 1.386 . . . . 0.0 107.44 169.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -140.02 158.33 44.24 Favored 'General case' 0 C--N 1.371 1.53 0 N-CA-C 115.678 1.733 . . . . 0.0 115.678 177.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 49.0 m -128.24 169.44 12.69 Favored Pre-proline 0 C--N 1.391 2.406 0 O-C-N 119.65 -1.906 . . . . 0.0 109.657 -163.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -51.4 -38.93 64.2 Favored 'Trans proline' 0 N--CA 1.491 1.331 1 C-N-CA 127.015 5.143 . . . . 0.0 113.623 -177.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -134.67 71.31 1.44 Allowed 'General case' 0 C--N 1.386 2.182 0 N-CA-C 104.571 -2.381 . . . . 0.0 104.571 -166.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -142.48 3.64 1.51 Allowed 'General case' 0 CA--C 1.559 1.326 0 C-N-CA 125.061 1.344 . . . . 0.0 114.598 -157.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -64.51 -23.52 67.3 Favored 'General case' 0 CA--C 1.574 1.866 0 O-C-N 118.75 -2.469 . . . . 0.0 116.267 -172.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 48.3 p -80.63 7.2 10.63 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 124.091 0.869 . . . . 0.0 112.025 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.321 1.9 pt? -143.24 -20.74 0.62 Allowed 'General case' 0 CA--C 1.618 3.58 0 C-N-CA 117.962 -1.495 . . . . 0.0 112.198 164.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.3 t30 39.63 40.78 0.68 Allowed 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 120.162 3.393 . . . . 0.0 120.162 -159.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -152.85 121.38 6.37 Favored 'General case' 0 N--CA 1.408 -2.556 0 C-N-CA 126.949 2.1 . . . . 0.0 107.706 -170.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 31.2 p -147.18 174.13 11.88 Favored 'General case' 0 CA--C 1.568 1.635 1 C-N-CA 134.087 4.955 . . . . 0.0 109.502 169.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -151.41 155.69 39.15 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -113.93 154.44 27.56 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 125.277 1.611 . . . . 0.0 106.778 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.1 p -71.38 140.94 50.34 Favored 'General case' 0 N--CA 1.384 -3.738 0 O-C-N 128.323 3.514 . . . . 0.0 110.839 -178.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -80.26 -21.61 42.57 Favored 'General case' 0 C--O 1.283 2.857 0 CA-C-O 115.742 -2.075 . . . . 0.0 112.295 -173.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -141.67 167.91 21.03 Favored 'General case' 0 C--O 1.277 2.544 0 N-CA-C 105.033 -2.21 . . . . 0.0 105.033 172.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -75.4 154.75 36.98 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 117.741 -3.1 . . . . 0.0 111.874 -171.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.8 m -135.51 153.28 77.59 Favored Pre-proline 0 C--O 1.274 2.36 0 CA-C-O 118.795 -0.622 . . . . 0.0 111.542 166.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . 0.252 61.2 Cg_endo -62.98 168.03 11.27 Favored 'Trans proline' 0 CA--C 1.546 1.125 0 C-N-CA 124.315 3.343 . . . . 0.0 110.347 170.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -163.05 -177.83 5.68 Favored 'General case' 0 C--O 1.186 -2.246 1 O-C-N 112.245 -6.534 . . . . 0.0 117.638 174.174 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.5 tp -137.9 148.36 45.26 Favored 'General case' 0 C--O 1.194 -1.83 0 CA-C-N 112.978 -1.919 . . . . 0.0 112.347 167.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . 0.265 12.2 t60 -125.88 150.3 48.01 Favored 'General case' 0 C--O 1.263 1.799 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 173.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 77.9 m -131.09 153.61 49.14 Favored 'General case' 0 C--O 1.25 1.088 0 C-N-CA 127.05 2.14 . . . . 0.0 109.439 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -145.64 109.52 4.82 Favored 'General case' 0 CA--C 1.602 2.947 0 C-N-CA 128.541 2.736 . . . . 0.0 113.161 -161.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 16.6 tp -65.27 104.67 0.97 Allowed 'General case' 0 CA--C 1.569 1.701 0 C-N-CA 126.419 1.888 . . . . 0.0 110.818 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.301 0.3 OUTLIER -74.44 -13.2 15.53 Favored 'Isoleucine or valine' 0 C--N 1.395 2.579 0 O-C-N 119.337 -2.102 . . . . 0.0 114.674 -162.732 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -140.4 97.76 7.48 Favored Pre-proline 0 C--N 1.37 1.489 0 C-N-CA 129.023 2.929 . . . . 0.0 107.277 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -48.85 -9.5 0.09 OUTLIER 'Trans proline' 0 N--CA 1.498 1.792 1 C-N-CA 128.851 6.368 . . . . 0.0 115.927 172.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -88.56 -15.83 59.47 Favored Glycine 1 CA--C 1.579 4.063 0 CA-C-N 122.43 2.377 . . . . 0.0 111.579 -177.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.4 ' HB1' ' SG ' ' A' ' 96' ' ' CYS . . . -69.43 135.05 49.72 Favored 'General case' 0 N--CA 1.436 -1.167 1 O-C-N 114.961 -4.846 . . . . 0.0 107.326 168.724 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -119.9 -6.62 10.04 Favored 'General case' 0 C--O 1.267 1.999 0 CA-C-N 111.338 -2.664 . . . . 0.0 113.559 172.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -142.89 159.97 41.22 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 125.416 2.531 . . . . 0.0 113.845 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.6 pt -67.11 -8.43 7.96 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.227 1 O-C-N 116.183 -4.073 . . . . 0.0 119.064 -171.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 55.1 p -78.35 -13.39 59.87 Favored 'General case' 0 C--O 1.25 1.131 0 C-N-CA 127.549 2.34 . . . . 0.0 112.292 171.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -142.84 -20.37 0.66 Allowed 'General case' 0 N--CA 1.416 -2.14 0 N-CA-C 118.562 2.801 . . . . 0.0 118.562 -175.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.4 ' SG ' ' HB1' ' A' ' 90' ' ' ALA . 82.6 m -67.72 137.95 55.88 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.781 0.8 . . . . 0.0 109.302 175.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -145.54 138.19 25.89 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 128.686 2.794 . . . . 0.0 107.856 -162.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.268 27.1 m-85 -135.81 -177.14 4.55 Favored 'General case' 0 C--N 1.353 0.719 0 O-C-N 120.267 -1.52 . . . . 0.0 109.625 -168.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -155.41 165.19 37.39 Favored 'General case' 0 CA--C 1.583 2.232 0 C-N-CA 130.915 3.686 . . . . 0.0 113.805 167.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.552 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 5.4 m-20 -93.31 148.5 21.99 Favored 'General case' 0 C--N 1.382 2.02 0 O-C-N 117.888 -3.008 . . . . 0.0 112.656 -169.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -143.9 84.77 9.5 Favored Pre-proline 0 N--CA 1.538 3.931 0 O-C-N 127.28 2.863 . . . . 0.0 117.128 171.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -79.87 157.74 24.22 Favored 'Trans proline' 0 N--CA 1.415 -3.119 1 C-N-CA 125.495 4.13 . . . . 0.0 112.181 -175.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -172.91 161.77 33.09 Favored Glycine 0 CA--C 1.573 3.662 0 O-C-N 126.952 2.658 . . . . 0.0 114.851 -162.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -138.11 112.7 8.85 Favored 'General case' 0 N--CA 1.518 2.957 0 CA-C-O 127.508 3.527 . . . . 0.0 116.693 171.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 81.9 mtm-85 -148.87 164.22 35.13 Favored 'General case' 0 C--O 1.177 -2.72 0 CA-C-N 112.524 -2.126 . . . . 0.0 112.535 -164.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -76.98 174.2 10.89 Favored 'General case' 0 CA--C 1.576 1.952 0 CA-C-O 116.24 -1.838 . . . . 0.0 109.147 168.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -144.06 163.72 32.72 Favored 'General case' 0 CA--C 1.572 1.79 0 CA-C-O 124.345 2.022 . . . . 0.0 107.747 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.5 t -131.59 126.63 58.14 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.17 0 O-C-N 117.343 -3.348 . . . . 0.0 114.24 -176.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.9 m -137.4 158.34 34.98 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.683 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -168.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -117.96 165.27 13.91 Favored 'General case' 0 C--O 1.255 1.343 0 O-C-N 119.351 -2.093 . . . . 0.0 107.494 174.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 3.3 m -158.91 151.62 21.92 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.507 -158.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -157.33 -178.09 7.09 Favored 'General case' 0 N--CA 1.405 -2.702 0 O-C-N 119.005 -2.309 . . . . 0.0 105.596 -175.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -48.4 159.81 0.19 Allowed 'General case' 0 CA--C 1.587 2.369 0 N-CA-C 118.562 2.801 . . . . 0.0 118.562 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -58.19 169.67 0.8 Allowed 'General case' 0 CA--C 1.609 3.213 0 C-N-CA 124.709 1.204 . . . . 0.0 113.823 161.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -99.13 136.16 20.6 Favored Pre-proline 0 N--CA 1.515 2.79 0 C-N-CA 126.762 2.025 . . . . 0.0 109.341 176.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -48.65 -28.49 12.53 Favored 'Trans proline' 0 C--N 1.367 1.544 0 N-CA-C 117.426 2.048 . . . . 0.0 117.426 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 38.2 mtm105 -121.14 16.41 11.55 Favored 'General case' 0 N--CA 1.517 2.918 0 CA-C-O 116.235 -1.841 . . . . 0.0 107.102 -171.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -139.8 134.47 31.83 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 125.543 3.792 . . . . 0.0 113.56 173.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.9 m 38.95 58.17 5.77 Favored Pre-proline 0 N--CA 1.496 1.839 0 N-CA-C 117.83 2.53 . . . . 0.0 117.83 167.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -54.1 -27.94 48.5 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 123.747 2.965 . . . . 0.0 115.678 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 49.6 tpt85 -43.11 -20.48 0.02 OUTLIER 'General case' 0 C--N 1.356 0.883 0 N-CA-C 117.554 2.428 . . . . 0.0 117.554 -177.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -125.14 110.79 26.8 Favored Pre-proline 0 CA--C 1.573 1.828 0 N-CA-C 105.084 -2.191 . . . . 0.0 105.084 -171.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -67.73 -23.34 42.23 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.988 2.459 . . . . 0.0 113.574 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -141.46 138.55 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 CA-C-N 121.625 2.011 . . . . 0.0 106.192 -174.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 23.2 m -137.25 148.86 63.92 Favored Pre-proline 0 C--O 1.255 1.347 0 C-N-CA 127.494 2.317 . . . . 0.0 109.644 -170.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -66.79 161.2 43.06 Favored 'Trans proline' 0 C--N 1.407 3.62 0 C-N-CA 124.098 3.199 . . . . 0.0 113.875 173.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 33.7 m -162.93 -7.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.51 2.568 0 CA-C-O 116.295 -1.812 . . . . 0.0 113.763 -166.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 40.8 t60 -159.51 172.31 18.1 Favored 'General case' 0 C--N 1.367 1.328 0 CA-C-N 122.372 2.351 . . . . 0.0 110.751 171.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 57.8 tp -132.03 131.37 42.42 Favored 'General case' 0 CA--C 1.585 2.308 0 C-N-CA 127.975 2.51 . . . . 0.0 114.435 -175.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -110.76 -51.8 2.84 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 119.348 -2.095 . . . . 0.0 113.805 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 10.0 t -166.14 177.96 6.62 Favored 'General case' 0 CA--C 1.574 1.888 0 CA-C-N 121.379 1.9 . . . . 0.0 113.484 177.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 81.7 p -137.1 148.16 46.52 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 125.331 1.453 . . . . 0.0 113.206 172.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.586 2.343 0 CA-C-O 114.597 -2.62 . . . . 0.0 108.936 -166.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' SGN . . . . . 0.86 ' HN ' ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.5 mtp85 . . . . . 0 CA--C 1.574 1.877 0 CA-C-O 115.576 -2.154 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -43.95 158.09 0.13 Allowed 'Trans proline' 0 N--CA 1.521 3.095 0 N-CA-C 121.135 3.475 . . . . 0.0 121.135 148.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -52.92 -25.31 27.31 Favored 'Trans proline' 0 C--N 1.378 2.12 0 N-CA-C 120.312 3.159 . . . . 0.0 120.312 -174.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -130.64 -14.04 3.68 Favored 'General case' 0 C--N 1.359 0.979 0 CA-C-N 121.956 2.162 . . . . 0.0 113.787 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -142.68 178.41 7.65 Favored 'General case' 0 C--O 1.188 -2.134 0 CA-C-O 126.022 2.82 . . . . 0.0 110.5 -177.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.0 p -84.16 162.92 20.06 Favored 'General case' 0 C--N 1.368 1.407 0 O-C-N 118.623 -2.548 . . . . 0.0 108.188 168.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -61.33 -44.34 97.35 Favored 'General case' 0 N--CA 1.53 3.555 0 CA-C-N 119.32 0.964 . . . . 0.0 111.416 -170.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.01 -34.04 70.96 Favored 'General case' 0 CA--C 1.579 2.071 0 N-CA-C 117.55 2.426 . . . . 0.0 117.55 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -56.77 -44.49 81.86 Favored 'General case' 0 CA--C 1.554 1.108 0 O-C-N 124.957 1.411 . . . . 0.0 111.16 161.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -69.91 -29.62 66.84 Favored 'General case' 0 CA--C 1.593 2.633 0 CA-C-N 122.797 2.544 . . . . 0.0 114.422 173.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -65.57 -45.17 84.34 Favored 'General case' 0 N--CA 1.52 3.059 0 CA-C-N 119.908 1.231 . . . . 0.0 113.168 167.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.45 -59.04 6.09 Favored 'General case' 0 CA--C 1.598 2.824 0 C-N-CA 131.092 3.757 . . . . 0.0 109.597 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.3 mt -44.61 -52.4 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.615 3.472 0 CA-C-N 120.44 1.473 . . . . 0.0 110.397 168.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -73.81 -12.55 60.72 Favored 'General case' 0 C--N 1.392 2.429 0 CA-C-N 120.735 1.607 . . . . 0.0 110.019 -169.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -142.64 -13.5 0.76 Allowed 'General case' 0 CA--C 1.584 2.285 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 -164.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.0 mm -131.42 103.12 6.81 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.297 0 O-C-N 116.366 -3.959 . . . . 0.0 105.03 -158.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.9 m -154.84 118.18 4.49 Favored 'General case' 0 C--N 1.382 1.982 0 CA-C-N 114.381 -1.281 . . . . 0.0 109.036 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.5 tp -63.76 -36.94 85.52 Favored 'General case' 0 C--O 1.253 1.256 0 O-C-N 127.58 3.05 . . . . 0.0 110.868 -177.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -144.55 63.45 10.82 Favored Pre-proline 0 N--CA 1.418 -2.057 0 C-N-CA 125.634 1.573 . . . . 0.0 113.244 -172.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -45.63 162.78 0.1 OUTLIER 'Trans proline' 0 CA--C 1.589 3.226 0 O-C-N 126.756 2.977 . . . . 0.0 114.665 174.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -84.25 -174.45 1.84 Allowed 'Trans proline' 0 CA--C 1.493 -1.53 0 C-N-CA 123.574 2.849 . . . . 0.0 112.569 160.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.6 mmt-85 -54.85 137.64 44.71 Favored 'General case' 0 C--O 1.199 -1.575 0 CA-C-O 117.511 -1.233 . . . . 0.0 112.031 161.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 20.9 m -43.27 -35.47 1.48 Allowed 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 117.79 2.515 . . . . 0.0 117.79 172.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.8 p -61.55 -27.86 68.92 Favored 'General case' 0 C--O 1.257 1.474 0 CA-C-O 117.021 -1.466 . . . . 0.0 113.321 176.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.9 mm -85.82 -40.91 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.664 1.585 . . . . 0.0 113.018 170.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.36 -40.53 85.78 Favored 'General case' 0 C--N 1.395 2.562 0 CA-C-O 126.487 3.042 . . . . 0.0 115.731 -169.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 37.1 mmm -56.4 -18.72 11.99 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 113.004 -1.907 . . . . 0.0 113.277 170.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -63.3 -16.42 60.28 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 117.501 -3.25 . . . . 0.0 117.163 171.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.31 -19.31 65.78 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 117.345 -3.347 . . . . 0.0 115.884 174.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.1 pt -138.44 -32.7 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.513 2.709 0 CA-C-O 114.308 -2.758 . . . . 0.0 118.169 164.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -69.23 -9.5 53.34 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-N 121.723 2.056 . . . . 0.0 106.839 -177.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -104.96 6.14 33.31 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 119.263 -2.148 . . . . 0.0 114.636 175.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -135.45 -37.17 0.77 Allowed 'General case' 0 C--N 1.346 0.42 0 O-C-N 118.401 -2.687 . . . . 0.0 110.156 -175.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.81 147.54 52.42 Favored 'General case' 1 N--CA 1.373 -4.284 0 O-C-N 117.938 -2.976 . . . . 0.0 112.026 158.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -46.38 -36.81 6.81 Favored 'General case' 0 N--CA 1.512 2.652 0 N-CA-C 116.164 1.912 . . . . 0.0 116.164 -175.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -144.26 178.9 7.58 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 125.96 2.79 . . . . 0.0 108.779 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 37.1 m -79.7 113.17 17.65 Favored 'General case' 0 CA--C 1.597 2.758 1 O-C-N 115.952 -4.218 . . . . 0.0 114.442 -177.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.518 ' HE2' ' H3 ' ' A' ' 203' ' ' SGN . 43.8 tttt -59.11 138.67 57.46 Favored 'General case' 0 N--CA 1.513 2.722 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 164.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -70.02 -49.85 47.33 Favored 'General case' 0 C--O 1.206 -1.199 0 C-N-CA 128.426 2.69 . . . . 0.0 114.772 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -137.93 147.87 44.76 Favored 'General case' 0 C--O 1.272 2.287 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 -177.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -153.09 159.88 42.85 Favored 'General case' 0 N--CA 1.5 2.067 0 C-N-CA 127.311 2.244 . . . . 0.0 112.197 167.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.2 m -144.24 142.44 30.48 Favored 'General case' 0 CA--C 1.568 1.665 0 O-C-N 128.493 3.621 . . . . 0.0 110.366 -173.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -132.35 131.45 41.92 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 127.553 2.341 . . . . 0.0 111.331 -173.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.9 mt -85.4 129.99 34.69 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 123.627 1.679 . . . . 0.0 109.616 175.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -78.74 57.23 2.03 Favored 'General case' 0 CA--C 1.561 1.384 0 CA-C-O 125.317 2.484 . . . . 0.0 111.474 174.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.6 t -141.77 -173.05 3.68 Favored 'General case' 0 N--CA 1.526 3.356 0 O-C-N 118.266 -2.771 . . . . 0.0 107.125 -176.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.5 p -93.98 149.89 20.84 Favored 'General case' 0 C--O 1.203 -1.348 0 N-CA-C 116.627 2.084 . . . . 0.0 116.627 176.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -52.93 -33.94 53.12 Favored 'General case' 0 CA--C 1.563 1.449 0 O-C-N 117.855 -3.028 . . . . 0.0 110.83 168.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.57 -35.22 75.17 Favored 'General case' 0 C--N 1.385 2.125 0 C-N-CA 124.202 1.001 . . . . 0.0 112.138 -176.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -66.33 -34.24 77.54 Favored 'General case' 0 CA--C 1.576 1.971 0 CA-C-O 116.703 -1.618 . . . . 0.0 113.569 169.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.4 t -70.48 -32.53 50.27 Favored 'Isoleucine or valine' 0 C--O 1.259 1.563 0 N-CA-C 115.983 1.845 . . . . 0.0 115.983 173.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.8 t -74.39 -37.6 45.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 C-N-CA 130.569 3.547 . . . . 0.0 110.911 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -53.73 -39.65 65.45 Favored 'General case' 0 CA--C 1.564 1.492 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 157.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.5 t -74.1 -26.29 20.8 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.185 0 O-C-N 120.319 -1.488 . . . . 0.0 108.248 -176.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 34.5 m -67.95 -5.48 17.31 Favored 'General case' 0 CA--C 1.463 -2.373 0 N-CA-C 119.525 3.157 . . . . 0.0 119.525 166.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -119.21 12.99 11.25 Favored Glycine 0 N--CA 1.499 2.873 0 N-CA-C 119.13 2.412 . . . . 0.0 119.13 164.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -66.44 178.74 1.15 Allowed 'General case' 0 CA--C 1.606 3.117 0 N-CA-C 103.414 -2.809 . . . . 0.0 103.414 160.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -46.17 149.49 0.71 Allowed 'General case' 0 CA--C 1.569 1.68 0 C-N-CA 127.151 2.181 . . . . 0.0 113.34 167.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.6 m -79.68 136.51 36.81 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 117.632 2.456 . . . . 0.0 117.632 165.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.9 pt -137.63 176.87 6.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 C-N-CA 127.725 2.41 . . . . 0.0 110.558 173.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -119.91 164.88 15.39 Favored 'General case' 0 N--CA 1.515 2.778 1 O-C-N 115.91 -4.244 . . . . 0.0 111.503 171.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 57.4 m -138.0 160.48 64.29 Favored Pre-proline 0 N--CA 1.486 1.33 0 O-C-N 128.087 3.367 . . . . 0.0 107.606 -172.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -79.8 -9.34 14.49 Favored 'Trans proline' 0 C--O 1.161 -3.336 0 N-CA-C 119.148 2.711 . . . . 0.0 119.148 -164.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -126.17 34.89 4.77 Favored 'General case' 0 C--O 1.269 2.128 0 CA-C-O 123.251 1.5 . . . . 0.0 114.434 170.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -129.52 -14.33 4.19 Favored 'General case' 0 C--N 1.375 1.706 1 O-C-N 116.128 -4.108 . . . . 0.0 113.199 -160.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -50.64 -10.76 0.07 Allowed 'General case' 0 CA--C 1.56 1.349 0 C-N-CA 128.198 2.599 . . . . 0.0 117.206 -163.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.4 p -78.5 -6.83 56.53 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-O 111.874 -3.917 . . . . 0.0 112.51 174.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.51 -6.09 4.19 Favored 'General case' 0 C--N 1.315 -0.912 0 O-C-N 127.694 3.121 . . . . 0.0 113.302 158.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.339 28.5 t30 47.56 36.47 5.34 Favored 'General case' 0 CA--C 1.565 1.555 0 C-N-CA 131.672 3.989 . . . . 0.0 111.49 168.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -148.33 134.3 19.15 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 123.43 1.586 . . . . 0.0 108.433 175.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.2 p -142.31 -172.45 3.6 Favored 'General case' 0 N--CA 1.414 -2.25 0 C-N-CA 129.058 2.943 . . . . 0.0 114.174 162.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -149.29 171.56 16.3 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 125.163 1.385 . . . . 0.0 114.613 -175.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -152.2 167.08 29.72 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 117.394 -3.316 . . . . 0.0 110.225 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.4 p -75.66 144.36 41.7 Favored 'General case' 0 N--CA 1.518 2.95 0 CA-C-O 117.721 -1.133 . . . . 0.0 112.912 -170.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -75.98 -21.06 57.35 Favored 'General case' 0 N--CA 1.419 -2.018 0 CA-C-O 113.963 -2.923 . . . . 0.0 112.414 170.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -146.96 164.31 33.38 Favored 'General case' 0 C--O 1.26 1.611 0 CA-C-N 122.058 2.208 . . . . 0.0 109.334 171.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -65.19 154.35 38.28 Favored 'General case' 0 C--N 1.395 2.544 0 CA-C-O 113.149 -3.31 . . . . 0.0 111.96 -176.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.1 m -133.08 151.81 78.53 Favored Pre-proline 0 C--O 1.275 2.413 0 CA-C-N 121.02 1.736 . . . . 0.0 106.979 166.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -56.28 151.69 42.72 Favored 'Trans proline' 0 C--N 1.389 2.679 0 C-N-CA 121.583 1.522 . . . . 0.0 112.167 161.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.416 HD21 ' HB2' ' A' ' 105' ' ' ARG . 2.4 pp -154.83 168.04 28.24 Favored 'General case' 1 CA--C 1.644 4.576 0 C-N-CA 127.235 2.214 . . . . 0.0 112.224 -175.351 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.2 tp -130.22 141.32 50.64 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 125.072 1.349 . . . . 0.0 111.525 167.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -116.86 143.79 45.28 Favored 'General case' 0 C--N 1.373 1.614 0 O-C-N 125.419 1.699 . . . . 0.0 111.164 170.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . 0.255 61.1 m -125.31 141.73 51.91 Favored 'General case' 0 C--O 1.27 2.17 0 CA-C-O 126.648 3.118 . . . . 0.0 110.051 173.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -133.89 126.22 29.98 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-N 108.894 -3.776 . . . . 0.0 115.666 -161.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.0 tp -88.65 98.4 11.65 Favored 'General case' 0 C--O 1.181 -2.534 0 CA-C-O 123.381 1.562 . . . . 0.0 108.133 -175.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.274 1.5 pt -72.28 -5.14 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.822 0 C-N-CA 127.108 2.163 . . . . 0.0 115.858 -170.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.414 ' HA ' ' HD2' ' A' ' 88' ' ' PRO . 2.2 t30 -145.48 110.1 4.55 Favored Pre-proline 0 C--O 1.269 2.085 0 O-C-N 118.52 -2.612 . . . . 0.0 107.213 167.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 87' ' ' ASN . 72.2 Cg_exo -48.11 -32.47 18.8 Favored 'Trans proline' 0 N--CA 1.5 1.872 1 C-N-CA 131.099 7.866 . . . . 0.0 119.007 169.061 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -56.56 -41.82 89.57 Favored Glycine 0 C--N 1.362 2.008 0 CA-C-N 111.153 -2.749 . . . . 0.0 118.844 173.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.1 128.45 35.87 Favored 'General case' 0 N--CA 1.423 -1.814 0 C-N-CA 130.024 3.329 . . . . 0.0 115.308 177.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -140.54 -4.82 1.24 Allowed 'General case' 0 N--CA 1.526 3.362 0 CA-C-N 122.787 2.539 . . . . 0.0 115.74 175.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -110.72 146.38 36.38 Favored 'General case' 0 CA--C 1.474 -1.969 0 C-N-CA 124.915 1.286 . . . . 0.0 111.531 171.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.4 pt -47.14 -31.59 1.89 Allowed 'Isoleucine or valine' 0 C--O 1.272 2.282 1 O-C-N 114.786 -4.946 . . . . 0.0 118.226 177.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.2 p -60.58 -20.78 61.51 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 120.79 -1.194 . . . . 0.0 113.214 174.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -131.42 -10.79 3.62 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 115.613 1.708 . . . . 0.0 115.613 177.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 86.2 m -57.15 121.4 9.97 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 117.469 2.396 . . . . 0.0 117.469 169.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -137.01 158.39 44.57 Favored 'General case' 0 C--N 1.386 2.185 0 O-C-N 119.396 -2.065 . . . . 0.0 111.706 -175.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -147.74 153.54 39.39 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 118.327 -1.349 . . . . 0.0 111.56 -155.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -133.36 149.17 51.87 Favored 'General case' 0 CA--C 1.574 1.89 0 CA-C-O 123.456 1.598 . . . . 0.0 112.38 166.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.431 ' O ' ' HD2' ' A' ' 101' ' ' ARG . 1.7 m-20 -81.19 151.87 27.98 Favored 'General case' 0 C--N 1.389 2.308 0 CA-C-N 108.899 -3.773 . . . . 0.0 111.206 -174.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.431 ' HD2' ' O ' ' A' ' 100' ' ' ASP . 3.8 mpt_? -159.24 88.69 2.07 Favored Pre-proline 0 N--CA 1.516 2.857 0 C-N-CA 130.118 3.367 . . . . 0.0 113.28 -174.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -87.87 163.98 7.5 Favored 'Trans proline' 0 C--O 1.265 1.832 0 C-N-CA 124.192 3.261 . . . . 0.0 115.469 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -164.77 178.94 39.73 Favored Glycine 0 N--CA 1.432 -1.626 0 N-CA-C 117.441 1.736 . . . . 0.0 117.441 -177.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -144.4 114.18 7.24 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-N 121.846 2.823 . . . . 0.0 110.198 166.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.416 ' HB2' HD21 ' A' ' 80' ' ' LEU . 86.7 mtm-85 -144.61 164.29 31.38 Favored 'General case' 0 CA--C 1.593 2.598 0 CA-C-O 112.793 -3.48 . . . . 0.0 112.16 -163.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -72.56 176.9 5.04 Favored 'General case' 0 CA--C 1.501 -0.942 0 O-C-N 127.003 2.689 . . . . 0.0 114.203 158.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -150.11 159.74 44.18 Favored 'General case' 0 N--CA 1.507 2.405 0 C-N-CA 118.22 -1.392 . . . . 0.0 113.152 -176.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.5 t -137.82 118.03 16.02 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.314 0 CA-C-O 123.12 1.438 . . . . 0.0 108.578 -174.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.3 m -129.7 163.33 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.351 0 CA-C-N 113.823 -1.535 . . . . 0.0 113.611 -177.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -123.68 150.07 44.7 Favored 'General case' 0 CA--C 1.572 1.806 0 O-C-N 119.739 -1.851 . . . . 0.0 108.739 -177.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 68.2 m -142.68 163.68 32.15 Favored 'General case' 0 N--CA 1.514 2.774 0 CA-C-N 121.399 1.909 . . . . 0.0 115.027 -160.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -156.6 -179.45 8.2 Favored 'General case' 0 N--CA 1.425 -1.677 0 O-C-N 119.279 -2.138 . . . . 0.0 112.806 -167.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . 0.279 31.3 t-20 -51.83 152.03 3.17 Favored 'General case' 0 N--CA 1.514 2.772 0 CA-C-O 127.509 3.528 . . . . 0.0 107.679 177.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -57.07 159.69 4.14 Favored 'General case' 0 CA--C 1.604 3.031 0 O-C-N 116.764 -3.71 . . . . 0.0 110.085 164.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -63.59 147.18 95.95 Favored Pre-proline 0 C--N 1.347 0.467 0 N-CA-C 118.176 2.658 . . . . 0.0 118.176 156.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -60.05 -22.24 68.62 Favored 'Trans proline' 0 N--CA 1.488 1.147 0 C-N-CA 123.397 2.731 . . . . 0.0 116.858 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 38.9 mtm105 -142.1 29.46 1.65 Allowed 'General case' 0 N--CA 1.502 2.168 0 CA-C-O 116.434 -1.746 . . . . 0.0 110.461 -158.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -148.58 140.91 24.18 Favored 'General case' 0 N--CA 1.515 2.814 0 CA-C-N 122.664 2.484 . . . . 0.0 111.256 171.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . 0.272 4.7 m 46.77 52.11 11.34 Favored Pre-proline 0 CA--C 1.549 0.911 0 CA-C-N 120.804 1.638 . . . . 0.0 113.791 162.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -37.36 -33.88 0.21 Allowed 'Trans proline' 0 C--N 1.373 1.857 1 C-N-CA 127.421 5.414 . . . . 0.0 114.434 175.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 49.8 tpt85 -59.03 -22.93 61.47 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 118.78 2.882 . . . . 0.0 118.78 -175.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . 0.329 30.2 m-85 -115.11 95.71 43.0 Favored Pre-proline 0 N--CA 1.509 2.485 1 O-C-N 129.37 4.169 . . . . 0.0 109.414 -176.308 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -73.08 -22.43 19.4 Favored 'Trans proline' 0 CA--C 1.57 2.32 0 N-CA-C 114.847 1.056 . . . . 0.0 114.847 -170.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . 0.256 4.3 m -129.87 144.28 38.52 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.813 0 C-N-CA 126.255 1.822 . . . . 0.0 113.559 167.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 25.0 m -143.18 162.48 42.72 Favored Pre-proline 0 C--O 1.259 1.573 0 C-N-CA 124.996 1.319 . . . . 0.0 110.981 -167.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -74.58 146.65 34.82 Favored 'Trans proline' 0 C--N 1.4 3.238 0 C-N-CA 124.204 3.269 . . . . 0.0 111.559 175.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 35.7 m -124.82 -23.33 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 N-CA-C 118.706 2.854 . . . . 0.0 118.706 176.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -152.54 170.79 19.31 Favored 'General case' 0 C--N 1.39 2.35 0 O-C-N 118.242 -2.786 . . . . 0.0 112.877 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 24.4 tp -129.37 151.62 49.82 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 126.765 2.026 . . . . 0.0 107.347 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -121.84 -50.14 2.07 Favored 'General case' 0 N--CA 1.515 2.781 0 CA-C-O 127.62 3.581 . . . . 0.0 115.316 -168.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.3 t -164.74 172.89 12.45 Favored 'General case' 0 N--CA 1.519 2.997 0 O-C-N 117.256 -3.403 . . . . 0.0 109.17 -173.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 76.1 p -150.78 135.07 16.98 Favored 'General case' 0 C--O 1.279 2.625 0 C-N-CA 126.863 2.065 . . . . 0.0 105.85 177.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.441 ' N ' HD13 ' A' ' 133' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.952 0 O-C-N 125.985 2.053 . . . . 0.0 112.741 -160.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 203' ' ' SGN . . . . . 0.518 ' H3 ' ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.7 mtp85 . . . . . 0 CA--C 1.569 1.681 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -46.92 159.15 0.35 Allowed 'Trans proline' 0 N--CA 1.43 -2.256 1 C-N-CA 128.291 5.994 . . . . 0.0 115.323 152.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.274 21.2 Cg_exo -57.24 -22.25 47.83 Favored 'Trans proline' 0 N--CA 1.448 -1.165 0 C-N-CA 124.453 3.435 . . . . 0.0 115.666 -173.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -132.06 -12.85 3.21 Favored 'General case' 0 N--CA 1.516 2.825 0 CA-C-N 123.621 2.919 . . . . 0.0 113.855 176.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -126.9 179.92 5.15 Favored 'General case' 0 C--O 1.19 -2.071 0 O-C-N 117.88 -3.012 . . . . 0.0 111.038 -176.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.7 p -79.29 167.66 20.61 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.088 -1.632 . . . . 0.0 110.753 152.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -64.04 -51.8 62.43 Favored 'General case' 0 N--CA 1.498 1.973 0 CA-C-O 123.441 1.591 . . . . 0.0 111.836 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.2 -43.37 98.37 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.527 -1.358 . . . . 0.0 110.268 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -63.29 -37.83 88.77 Favored 'General case' 0 CA--C 1.558 1.269 0 O-C-N 118.251 -2.78 . . . . 0.0 116.068 175.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.7 t-105 -56.59 -39.63 73.86 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 121.669 3.951 . . . . 0.0 121.669 165.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -52.49 -48.99 65.61 Favored 'General case' 0 C--O 1.249 1.028 0 C-N-CA 126.641 1.976 . . . . 0.0 112.702 161.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.4 -44.23 96.95 Favored 'General case' 0 N--CA 1.405 -2.712 0 O-C-N 119.242 -2.161 . . . . 0.0 112.302 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 52.3 mt -58.24 -27.55 32.73 Favored 'Isoleucine or valine' 0 C--N 1.401 2.815 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . 0.264 56.3 mt-30 -99.79 -22.61 15.28 Favored 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 174.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -133.23 2.43 3.58 Favored 'General case' 0 C--N 1.378 1.815 0 CA-C-O 114.446 -2.692 . . . . 0.0 116.464 -168.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.8 mm -128.51 127.8 67.36 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-O 124.388 2.042 . . . . 0.0 106.468 -178.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.7 m -169.8 120.77 0.67 Allowed 'General case' 0 CA--C 1.479 -1.786 0 O-C-N 119.923 -1.736 . . . . 0.0 113.04 178.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 tp -67.53 -28.29 67.68 Favored 'General case' 0 C--N 1.389 2.297 0 N-CA-C 118.622 2.823 . . . . 0.0 118.622 -178.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -150.73 73.95 8.72 Favored Pre-proline 0 CA--C 1.56 1.347 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -67.09 151.14 82.14 Favored 'Trans proline' 0 CA--C 1.565 2.032 0 O-C-N 125.628 2.383 . . . . 0.0 109.05 -163.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -70.51 179.47 4.08 Favored 'Trans proline' 0 C--O 1.281 2.629 0 C-N-CA 124.336 3.357 . . . . 0.0 108.553 -173.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.431 ' HA ' ' OD1' ' A' ' 100' ' ' ASP . 46.3 mmt-85 -50.0 137.23 17.46 Favored 'General case' 0 N--CA 1.531 3.579 1 O-C-N 115.606 -4.434 . . . . 0.0 111.357 163.79 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.473 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . 95.7 m -53.66 -25.3 17.39 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 116.982 -3.573 . . . . 0.0 114.705 175.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.3 p -60.68 -29.0 69.04 Favored 'General case' 0 C--O 1.259 1.558 0 CA-C-O 115.293 -2.289 . . . . 0.0 109.593 169.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.4 mm -94.87 -37.47 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.265 0 CA-C-N 122.788 2.54 . . . . 0.0 111.264 167.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.475 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -63.44 -42.24 98.66 Favored 'General case' 0 C--N 1.28 -2.417 0 CA-C-N 121.292 1.86 . . . . 0.0 111.115 -171.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.513 ' HG3' ' CD1' ' A' ' 98' ' ' TYR . 71.7 mmm -61.14 -32.12 71.83 Favored 'General case' 0 C--N 1.312 -1.059 0 O-C-N 117.263 -3.398 . . . . 0.0 110.488 -177.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -51.48 -21.85 2.71 Favored 'General case' 0 N--CA 1.414 -2.264 0 C-N-CA 124.896 1.278 . . . . 0.0 111.283 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.83 -7.04 4.33 Favored 'General case' 0 C--O 1.278 2.56 0 O-C-N 117.39 -3.319 . . . . 0.0 114.571 175.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -137.89 -39.97 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 CA-C-N 114.386 -1.279 . . . . 0.0 112.274 171.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -74.64 -18.37 60.55 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.962 1.305 . . . . 0.0 113.426 -176.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.425 1.8 m120 -100.19 6.57 44.79 Favored 'General case' 0 C--O 1.212 -0.885 0 C-N-CA 127.957 2.503 . . . . 0.0 115.841 166.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -128.9 9.19 5.79 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-O 122.356 1.074 . . . . 0.0 112.522 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -136.07 161.39 35.83 Favored 'General case' 0 C--N 1.289 -2.049 0 O-C-N 118.44 -2.663 . . . . 0.0 107.514 175.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 -65.46 -21.78 66.68 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 119.116 -2.24 . . . . 0.0 114.687 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 70.6 mtt180 -134.36 166.05 23.74 Favored 'General case' 0 C--O 1.191 -2.005 0 CA-C-N 119.914 1.234 . . . . 0.0 113.681 172.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.6 m -67.24 120.95 14.63 Favored 'General case' 0 C--O 1.269 2.093 0 CA-C-N 113.546 -1.661 . . . . 0.0 110.858 170.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.596 ' HE2' ' H3 ' ' A' ' 203' ' ' SGN . 17.7 tttt -75.04 137.65 41.63 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 127.858 2.463 . . . . 0.0 113.821 160.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -65.8 -40.58 92.03 Favored 'General case' 0 CA--C 1.558 1.27 0 N-CA-C 119.234 3.049 . . . . 0.0 119.234 -178.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -136.67 157.29 47.12 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-N 124.085 3.129 . . . . 0.0 112.281 177.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -151.83 152.7 32.98 Favored 'General case' 0 N--CA 1.526 3.351 0 CA-C-N 121.913 2.142 . . . . 0.0 115.272 155.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.2 m -114.96 148.82 38.25 Favored 'General case' 0 C--O 1.275 2.427 0 C-N-CA 125.173 1.389 . . . . 0.0 111.184 176.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.475 ' CZ ' ' HB1' ' A' ' 26' ' ' ALA . 13.3 m-85 -132.02 120.2 22.09 Favored 'General case' 0 N--CA 1.432 -1.348 0 C-N-CA 128.314 2.646 . . . . 0.0 110.709 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.5 mt -86.66 131.08 34.25 Favored 'General case' 0 N--CA 1.419 -2.01 0 C-N-CA 126.416 1.887 . . . . 0.0 111.747 178.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -91.75 51.13 1.8 Allowed 'General case' 0 C--O 1.253 1.287 0 C-N-CA 127.287 2.235 . . . . 0.0 112.292 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -139.02 165.47 27.03 Favored 'General case' 0 C--O 1.278 2.597 0 O-C-N 120.28 -1.513 . . . . 0.0 110.347 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.0 p -78.68 156.23 29.07 Favored 'General case' 0 C--O 1.197 -1.66 0 CA-C-N 122.056 2.207 . . . . 0.0 109.681 -167.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -61.51 -45.37 94.49 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 119.049 -1.061 . . . . 0.0 110.868 -170.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.88 -26.6 64.41 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-O 115.193 -2.337 . . . . 0.0 113.03 175.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -68.25 -31.87 71.65 Favored 'General case' 0 CA--C 1.583 2.227 0 C-N-CA 114.749 -2.78 . . . . 0.0 113.056 171.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.8 t -74.52 -30.08 24.94 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.913 0 C-N-CA 118.638 -1.225 . . . . 0.0 110.632 177.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.76 -40.5 81.54 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 CA-C-O 116.056 -1.926 . . . . 0.0 109.525 169.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -54.58 -30.88 55.71 Favored 'General case' 0 C--O 1.201 -1.483 0 CA-C-N 119.97 1.259 . . . . 0.0 112.571 170.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.4 t -81.58 -33.28 12.2 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.754 0 O-C-N 119.25 -2.156 . . . . 0.0 106.111 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 38.9 m -57.0 -14.66 3.81 Favored 'General case' 0 CA--C 1.573 1.838 0 N-CA-C 118.2 2.667 . . . . 0.0 118.2 161.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -81.47 -26.27 51.73 Favored Glycine 0 N--CA 1.504 3.193 0 C-N-CA 128.428 2.918 . . . . 0.0 116.749 171.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -67.29 156.78 35.53 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 128.574 2.75 . . . . 0.0 112.408 172.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -63.72 -179.57 0.39 Allowed 'General case' 0 CA--C 1.494 -1.184 0 CA-C-O 116.132 -1.889 . . . . 0.0 112.577 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 m -123.27 155.86 36.37 Favored 'General case' 0 CA--C 1.616 3.484 0 N-CA-C 116.69 2.107 . . . . 0.0 116.69 -167.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 pt -134.0 175.36 11.41 Favored 'Isoleucine or valine' 0 C--O 1.285 2.924 1 C-N-CA 131.887 4.075 . . . . 0.0 111.206 170.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -117.01 158.4 24.2 Favored 'General case' 0 CA--C 1.579 2.086 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 170.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 54.9 m -134.93 163.06 53.93 Favored Pre-proline 0 N--CA 1.508 2.434 0 C-N-CA 127.27 2.228 . . . . 0.0 112.732 -163.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . 0.308 31.5 Cg_exo -57.53 -18.72 33.45 Favored 'Trans proline' 0 C--N 1.372 1.796 0 N-CA-C 119.581 2.877 . . . . 0.0 119.581 -167.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -146.5 35.46 0.96 Allowed 'General case' 0 C--O 1.177 -2.725 0 CA-C-O 127.618 3.58 . . . . 0.0 115.55 -163.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -118.87 19.13 13.16 Favored 'General case' 0 N--CA 1.512 2.65 0 O-C-N 118.529 -2.607 . . . . 0.0 113.052 -152.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.1 ptt-85 -59.18 -42.49 90.95 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-O 115.816 -2.04 . . . . 0.0 110.601 -166.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.5 p -62.47 4.67 0.14 Allowed 'General case' 0 CA--C 1.611 3.309 0 CA-C-O 113.91 -2.948 . . . . 0.0 117.173 178.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 68' ' ' LEU . 1.6 pt? -147.79 -14.4 0.37 Allowed 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 121.258 1.844 . . . . 0.0 112.748 163.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 32.4 t30 46.82 41.02 9.88 Favored 'General case' 0 CA--C 1.58 2.128 0 CA-C-N 121.831 2.105 . . . . 0.0 115.48 -173.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -158.69 123.54 4.2 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 111.898 -2.41 . . . . 0.0 115.283 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.3 p -135.18 175.76 9.28 Favored 'General case' 0 C--O 1.272 2.262 0 C-N-CA 126.689 1.996 . . . . 0.0 107.801 164.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -147.67 145.36 28.89 Favored 'General case' 0 N--CA 1.498 1.954 0 CA-C-O 116.291 -1.814 . . . . 0.0 109.695 -171.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -123.48 152.31 41.83 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 125.257 1.423 . . . . 0.0 110.832 -175.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.0 p -79.11 160.6 26.98 Favored 'General case' 0 N--CA 1.5 2.048 0 C-N-CA 124.477 1.111 . . . . 0.0 113.133 -169.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -91.52 -11.18 38.14 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 117.579 -3.201 . . . . 0.0 109.193 -177.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -153.39 160.85 42.72 Favored 'General case' 0 C--O 1.208 -1.108 0 CA-C-N 120.751 1.614 . . . . 0.0 111.133 -174.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 32.4 mtm180 -67.65 146.57 53.7 Favored 'General case' 0 C--O 1.189 -2.115 0 O-C-N 118.912 -2.367 . . . . 0.0 109.369 175.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.7 m -129.69 155.36 80.48 Favored Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 119.998 -1.689 . . . . 0.0 113.309 165.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -68.26 165.93 27.01 Favored 'Trans proline' 0 CA--C 1.546 1.081 0 N-CA-C 107.048 -1.943 . . . . 0.0 107.048 171.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 pp -165.53 158.39 15.69 Favored 'General case' 0 N--CA 1.504 2.25 1 O-C-N 132.861 6.351 . . . . 0.0 111.506 -167.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 102' ' ' PRO 0.28 47.0 tp -121.54 127.97 51.53 Favored 'General case' 0 C--O 1.191 -2.009 0 O-C-N 125.676 1.86 . . . . 0.0 110.602 156.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -97.12 158.41 15.45 Favored 'General case' 0 C--O 1.182 -2.463 0 O-C-N 118.085 -2.884 . . . . 0.0 113.512 157.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 77.1 m -145.62 141.86 28.55 Favored 'General case' 0 C--O 1.183 -2.396 0 C-N-CA 127.436 2.294 . . . . 0.0 112.966 -169.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -148.04 117.94 7.17 Favored 'General case' 0 CA--C 1.581 2.14 0 CA-C-N 113.617 -1.629 . . . . 0.0 114.776 -150.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 88' ' ' PRO . 25.0 tp -66.71 80.77 0.1 Allowed 'General case' 0 CA--C 1.603 3.008 0 C-N-CA 124.642 1.177 . . . . 0.0 110.816 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 46.0 pt -52.55 -19.91 1.84 Allowed 'Isoleucine or valine' 0 C--O 1.189 -2.105 0 N-CA-C 117.43 2.381 . . . . 0.0 117.43 -169.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -117.53 99.97 52.55 Favored Pre-proline 0 N--CA 1.49 1.554 0 CA-C-O 115.896 -2.002 . . . . 0.0 105.647 159.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.457 ' HA ' HD23 ' A' ' 85' ' ' LEU 0.284 35.2 Cg_exo -54.41 -29.47 58.87 Favored 'Trans proline' 1 N--CA 1.393 -4.432 0 C-N-CA 122.144 1.896 . . . . 0.0 114.789 173.576 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -57.8 22.08 0.02 OUTLIER Glycine 0 C--O 1.192 -2.483 1 C-N-CA 131.442 4.353 . . . . 0.0 114.866 172.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -132.5 137.84 47.33 Favored 'General case' 0 CA--C 1.568 1.648 0 CA-C-N 122.737 3.268 . . . . 0.0 115.254 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -130.38 -3.44 4.34 Favored 'General case' 0 C--N 1.379 1.87 0 N-CA-C 116.677 2.103 . . . . 0.0 116.677 177.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -120.77 130.29 53.96 Favored 'General case' 0 N--CA 1.404 -2.758 0 O-C-N 116.467 -3.896 . . . . 0.0 106.995 -175.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.292 21.8 pt -49.34 -23.12 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 N-CA-C 116.361 1.986 . . . . 0.0 116.361 176.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.0 p -59.16 -12.52 5.29 Favored 'General case' 0 CA--C 1.576 1.959 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 167.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -145.23 -17.35 0.49 Allowed 'General case' 0 N--CA 1.472 0.672 0 O-C-N 127.325 2.891 . . . . 0.0 115.504 -176.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 65.6 m -56.32 145.63 26.44 Favored 'General case' 0 C--N 1.406 3.046 0 O-C-N 119.335 -2.103 . . . . 0.0 111.459 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -141.22 149.64 41.64 Favored 'General case' 0 N--CA 1.506 2.346 0 O-C-N 126.208 2.192 . . . . 0.0 111.089 -174.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.513 ' CD1' ' HG3' ' A' ' 27' ' ' MET . 58.0 m-85 -140.0 -179.02 5.72 Favored 'General case' 0 C--O 1.277 2.525 0 N-CA-C 117.678 2.473 . . . . 0.0 117.678 -168.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -176.24 157.22 1.74 Allowed 'General case' 0 C--N 1.387 2.208 0 CA-C-O 124.34 2.019 . . . . 0.0 110.126 170.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.435 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -81.9 145.02 30.56 Favored 'General case' 0 C--O 1.289 3.16 0 N-CA-C 119.278 3.066 . . . . 0.0 119.278 -173.499 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -148.18 80.24 8.69 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 118.362 -2.711 . . . . 0.0 105.562 177.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 81' ' ' LEU . 57.8 Cg_endo -69.87 176.55 6.7 Favored 'Trans proline' 0 CA--C 1.49 -1.685 0 C-N-CA 123.838 3.025 . . . . 0.0 111.32 177.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 169.23 -170.37 42.51 Favored Glycine 0 C--N 1.392 3.642 0 CA-C-N 122.34 2.336 . . . . 0.0 115.962 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -145.22 120.19 10.01 Favored 'General case' 0 N--CA 1.432 -1.371 0 O-C-N 117.482 -3.364 . . . . 0.0 109.251 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 66.6 mtm-85 -150.34 172.64 15.08 Favored 'General case' 0 CA--C 1.466 -2.254 0 CA-C-N 121.065 1.757 . . . . 0.0 109.297 -178.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . 0.323 58.0 m-85 -72.89 178.68 4.11 Favored 'General case' 0 C--N 1.267 -3.01 0 O-C-N 118.257 -2.777 . . . . 0.0 112.828 157.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -138.64 156.96 46.98 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 126.802 2.041 . . . . 0.0 110.178 176.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.3 t -121.0 139.65 47.57 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.235 0 C-N-CA 127.58 2.352 . . . . 0.0 107.747 166.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.0 m -139.15 167.64 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 O-C-N 118.24 -2.787 . . . . 0.0 108.115 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -124.73 154.64 40.55 Favored 'General case' 0 CA--C 1.468 -2.203 0 CA-C-O 125.95 2.786 . . . . 0.0 104.842 166.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 86.2 m -144.99 170.09 16.83 Favored 'General case' 0 C--O 1.253 1.271 0 CA-C-N 112.606 -2.088 . . . . 0.0 110.182 -164.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -161.14 163.09 31.55 Favored 'General case' 0 N--CA 1.514 2.764 0 C-N-CA 129.552 3.141 . . . . 0.0 108.138 -172.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -42.03 154.36 0.05 Allowed 'General case' 0 CA--C 1.586 2.35 0 O-C-N 127.085 2.741 . . . . 0.0 107.534 160.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -68.85 158.59 34.17 Favored 'General case' 0 CA--C 1.494 -1.175 0 CA-C-O 124.984 2.326 . . . . 0.0 112.773 174.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -60.1 144.25 87.22 Favored Pre-proline 0 C--N 1.276 -2.605 0 O-C-N 119.657 -1.902 . . . . 0.0 115.994 172.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 99.7 Cg_exo -59.76 0.54 0.58 Allowed 'Trans proline' 0 CA--C 1.557 1.669 0 N-CA-C 118.084 2.302 . . . . 0.0 118.084 174.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -148.59 -3.64 0.46 Allowed 'General case' 0 C--O 1.199 -1.586 0 CA-C-N 122.031 2.196 . . . . 0.0 111.103 -170.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -133.92 139.82 46.4 Favored 'General case' 0 N--CA 1.519 2.976 0 O-C-N 120.134 -1.604 . . . . 0.0 114.892 -171.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.2 m 46.87 53.39 13.57 Favored Pre-proline 0 C--O 1.204 -1.297 0 N-CA-C 116.726 2.121 . . . . 0.0 116.726 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -56.6 -5.28 1.09 Allowed 'Trans proline' 0 N--CA 1.497 1.716 0 O-C-N 117.52 -1.884 . . . . 0.0 115.152 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.7 tpt85 -70.96 -10.59 59.99 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 128.659 2.784 . . . . 0.0 117.272 -168.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.14 143.74 17.97 Favored Pre-proline 0 CA--C 1.472 -2.036 0 C-N-CA 125.755 1.622 . . . . 0.0 114.577 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -76.12 -35.04 2.57 Favored 'Trans proline' 0 C--N 1.387 2.576 0 CA-C-O 115.575 -1.927 . . . . 0.0 113.57 -163.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 12.6 m -131.86 156.95 43.02 Favored 'Isoleucine or valine' 0 C--O 1.262 1.728 0 C-N-CA 125.969 1.708 . . . . 0.0 115.02 178.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 17.4 m -144.82 149.66 43.71 Favored Pre-proline 1 N--CA 1.539 4.015 0 C-N-CA 127.77 2.428 . . . . 0.0 109.697 -169.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -83.29 144.32 11.59 Favored 'Trans proline' 0 N--CA 1.526 3.396 0 N-CA-C 104.703 -2.845 . . . . 0.0 104.703 -176.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . 0.274 14.3 m -123.98 -12.97 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 CA-C-N 115.049 -0.978 . . . . 0.0 113.278 -174.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -155.71 135.09 12.36 Favored 'General case' 0 C--O 1.247 0.937 0 CA-C-O 114.285 -2.769 . . . . 0.0 113.474 -173.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 21.2 tp -85.58 120.44 27.03 Favored 'General case' 0 CA--C 1.494 -1.18 0 CA-C-N 123.559 2.89 . . . . 0.0 108.139 164.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -90.84 -42.37 10.68 Favored 'General case' 0 CA--C 1.563 1.467 0 CA-C-N 123.647 2.93 . . . . 0.0 108.638 -176.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 9.2 t -170.11 166.31 9.08 Favored 'General case' 0 N--CA 1.499 1.985 0 C-N-CA 123.978 0.911 . . . . 0.0 111.356 -175.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.3 p -138.69 121.88 16.93 Favored 'General case' 0 C--N 1.284 -2.244 0 C-N-CA 130.254 3.422 . . . . 0.0 112.254 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.48 -1.713 0 N-CA-C 121.158 3.762 . . . . 0.0 121.158 -159.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 203' ' ' SGN . . . . . 0.596 ' H3 ' ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 . . . . . 0 C--O 1.266 1.95 0 N-CA-C 105.758 -1.941 . . . . 0.0 105.758 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 31.2 Cg_exo -42.79 136.12 4.75 Favored 'Trans proline' 0 CA--C 1.562 1.91 0 C-N-CA 124.491 3.461 . . . . 0.0 118.159 -179.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 2' ' ' PRO . 54.1 Cg_exo -36.93 -16.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.5 1.901 1 C-N-CA 126.056 4.504 . . . . 0.0 119.236 174.711 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 5' ' ' PHE . 33.8 mt-30 -146.72 -10.77 0.46 Allowed 'General case' 0 C--N 1.406 3.063 0 CA-C-O 116.772 -1.585 . . . . 0.0 110.455 171.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 4' ' ' GLN . 22.8 m-85 -142.26 175.27 9.89 Favored 'General case' 0 CA--C 1.605 3.06 2 CA-C-N 127.679 4.763 . . . . 0.0 111.014 -168.563 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.6 p -78.99 159.03 27.83 Favored 'General case' 0 C--O 1.28 2.694 0 O-C-N 120.864 -1.148 . . . . 0.0 109.264 161.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -50.17 -49.18 53.12 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 118.004 -2.935 . . . . 0.0 113.52 165.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.77 -44.06 73.32 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 126.908 2.083 . . . . 0.0 110.736 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -79.95 -39.23 30.64 Favored 'General case' 0 C--O 1.197 -1.707 0 O-C-N 118.805 -2.434 . . . . 0.0 111.82 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.0 t-105 -55.05 -42.75 73.07 Favored 'General case' 0 N--CA 1.419 -2.014 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 167.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -54.85 -40.9 70.12 Favored 'General case' 0 CA--C 1.594 2.658 0 O-C-N 117.792 -3.068 . . . . 0.0 111.563 164.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.89 -33.49 39.88 Favored 'General case' 0 N--CA 1.427 -1.61 0 CA-C-N 123.677 2.944 . . . . 0.0 112.637 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.4 mt -60.54 -27.61 40.66 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.416 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 170.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -88.54 -23.54 23.14 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 172.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -144.06 -14.21 0.62 Allowed 'General case' 0 CA--C 1.572 1.819 0 CA-C-N 124.041 3.109 . . . . 0.0 111.287 -155.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.6 mm -134.46 125.47 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.017 -1.052 . . . . 0.0 112.349 -171.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . 0.356 13.4 m -164.41 154.08 13.92 Favored 'General case' 0 CA--C 1.48 -1.714 0 C-N-CA 126.937 2.095 . . . . 0.0 108.694 167.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.1 tp -86.22 -24.32 26.1 Favored 'General case' 0 C--O 1.181 -2.547 0 O-C-N 127.209 2.818 . . . . 0.0 116.454 -169.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -142.25 101.76 5.68 Favored Pre-proline 0 C--N 1.299 -1.624 0 C-N-CA 130.298 3.439 . . . . 0.0 109.185 146.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -73.41 163.77 36.84 Favored 'Trans proline' 0 C--N 1.381 2.245 0 CA-C-O 117.609 -1.08 . . . . 0.0 109.497 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -48.89 168.18 0.11 Allowed 'Trans proline' 1 C--N 1.437 5.202 1 C-N-CA 127.49 5.46 . . . . 0.0 116.541 163.222 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -65.03 155.15 35.62 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.265 -1.522 . . . . 0.0 109.598 155.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.461 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . 81.6 m -55.42 -27.01 45.16 Favored 'General case' 0 C--O 1.26 1.638 0 CA-C-N 113.418 -1.719 . . . . 0.0 113.386 -178.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.9 p -53.17 -31.59 43.47 Favored 'General case' 0 N--CA 1.509 2.509 0 N-CA-C 116.061 1.875 . . . . 0.0 116.061 172.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.0 mm -106.46 -53.44 6.68 Favored 'Isoleucine or valine' 1 C--O 1.15 -4.15 0 CA-C-N 111.757 -2.474 . . . . 0.0 110.373 177.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.536 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -39.26 -48.15 1.78 Allowed 'General case' 0 N--CA 1.424 -1.746 0 C-N-CA 129.502 3.121 . . . . 0.0 110.273 176.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 78.5 mmm -62.47 -36.17 81.63 Favored 'General case' 0 C--O 1.185 -2.309 0 C-N-CA 126.75 2.02 . . . . 0.0 111.769 -175.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.6 mtt-85 -57.97 -21.86 46.49 Favored 'General case' 0 N--CA 1.419 -2.021 0 O-C-N 119.958 -1.714 . . . . 0.0 110.497 -178.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.91 -8.18 0.93 Allowed 'General case' 0 C--N 1.284 -2.262 0 CA-C-N 124.225 3.193 . . . . 0.0 116.881 170.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.1 pt -142.36 -38.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.81 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -69.76 -23.07 63.32 Favored 'General case' 0 C--N 1.28 -2.414 0 CA-C-O 123.247 1.499 . . . . 0.0 109.809 -174.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -113.66 4.64 16.15 Favored 'General case' 0 CA--C 1.588 2.405 0 CA-C-O 115.778 -2.058 . . . . 0.0 112.801 -176.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -125.04 -36.6 2.52 Favored 'General case' 0 C--O 1.184 -2.352 0 O-C-N 126.643 2.464 . . . . 0.0 116.739 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -77.75 163.15 26.39 Favored 'General case' 0 N--CA 1.427 -1.583 0 O-C-N 117.837 -3.039 . . . . 0.0 113.2 152.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -64.94 -16.52 63.42 Favored 'General case' 0 CA--C 1.573 1.864 0 C-N-CA 126.394 1.878 . . . . 0.0 115.826 -171.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -143.41 164.41 30.38 Favored 'General case' 0 CA--C 1.454 -2.727 0 C-N-CA 125.174 1.39 . . . . 0.0 112.748 176.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 59.9 m -66.72 122.96 18.8 Favored 'General case' 1 N--CA 1.546 4.359 0 C-N-CA 130.033 3.333 . . . . 0.0 111.311 173.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.474 ' HE2' ' H3 ' ' A' ' 203' ' ' SGN . 66.8 tttt -70.2 135.84 49.45 Favored 'General case' 0 C--N 1.271 -2.806 0 CA-C-O 117.439 -1.267 . . . . 0.0 111.107 167.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -75.63 -33.97 60.52 Favored 'General case' 0 C--O 1.206 -1.202 0 O-C-N 127.715 3.134 . . . . 0.0 112.828 -177.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -132.42 161.08 34.56 Favored 'General case' 0 CA--C 1.592 2.571 0 CA-C-N 124.261 3.21 . . . . 0.0 109.24 171.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -152.76 170.39 20.42 Favored 'General case' 1 N--CA 1.553 4.713 0 O-C-N 118.418 -2.676 . . . . 0.0 110.584 157.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 82' ' ' HIS . 9.1 m -145.68 139.85 26.86 Favored 'General case' 0 C--O 1.244 0.767 0 N-CA-C 103.745 -2.687 . . . . 0.0 103.745 178.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.536 ' CZ ' ' HB1' ' A' ' 26' ' ' ALA . 84.6 m-85 -124.41 129.01 49.91 Favored 'General case' 0 C--N 1.288 -2.084 0 C-N-CA 126.47 1.908 . . . . 0.0 109.741 178.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 mp -108.17 153.2 23.52 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 122.788 2.54 . . . . 0.0 111.058 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -101.93 61.81 0.89 Allowed 'General case' 0 C--O 1.265 1.894 0 C-N-CA 128.318 2.647 . . . . 0.0 113.763 -175.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.1 t -141.39 152.47 44.36 Favored 'General case' 0 C--O 1.19 -2.074 0 C-N-CA 128.601 2.761 . . . . 0.0 110.54 176.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.3 p -61.46 144.73 53.68 Favored 'General case' 0 N--CA 1.501 2.089 0 C-N-CA 129.594 3.158 . . . . 0.0 111.947 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -48.17 -42.95 31.06 Favored 'General case' 0 C--O 1.262 1.741 0 CA-C-O 114.399 -2.715 . . . . 0.0 110.48 160.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.83 -36.99 63.13 Favored 'General case' 0 C--O 1.275 2.444 0 O-C-N 126.727 2.517 . . . . 0.0 115.728 176.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.257 22.4 t-20 -67.91 -38.94 83.58 Favored 'General case' 0 C--O 1.258 1.55 0 N-CA-C 117.365 2.357 . . . . 0.0 117.365 168.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.2 t -62.77 -50.77 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.862 0 CA-C-O 115.716 -2.088 . . . . 0.0 109.025 173.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 42.6 t -54.64 -37.03 37.97 Favored 'Isoleucine or valine' 0 C--N 1.368 1.408 0 C-N-CA 128.906 2.882 . . . . 0.0 111.817 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -62.14 -53.68 51.94 Favored 'General case' 0 C--O 1.263 1.811 0 O-C-N 128.462 3.601 . . . . 0.0 111.218 170.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.1 t -57.34 -37.16 55.55 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.682 0 C-N-CA 126.841 2.056 . . . . 0.0 111.752 176.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 71.2 m -61.3 -18.0 56.39 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-O 114.399 -2.715 . . . . 0.0 112.792 172.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.45 -11.9 49.92 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 125.347 1.654 . . . . 0.0 115.884 173.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -48.97 162.85 0.1 Allowed 'General case' 0 CA--C 1.593 2.618 0 O-C-N 117.83 -3.159 . . . . 0.0 110.024 161.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -57.14 156.92 6.56 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-O 127.49 3.519 . . . . 0.0 110.342 -174.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.8 m -102.93 138.17 40.17 Favored 'General case' 0 N--CA 1.483 1.191 0 O-C-N 117.181 -3.449 . . . . 0.0 110.006 -172.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 9.1 pt -134.73 -172.57 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.715 0 C-N-CA 126.435 1.894 . . . . 0.0 112.557 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.9 ptt-85 -122.0 160.27 25.26 Favored 'General case' 0 C--O 1.255 1.382 0 CA-C-N 120.366 1.439 . . . . 0.0 114.743 166.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 90.7 m -134.56 169.6 13.43 Favored Pre-proline 0 C--N 1.285 -2.202 0 O-C-N 125.93 2.019 . . . . 0.0 110.875 -170.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -62.39 -34.7 75.97 Favored 'Trans proline' 0 N--CA 1.422 -2.7 0 N-CA-C 116.594 1.728 . . . . 0.0 116.594 -169.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 50.4 m170 -122.53 53.34 1.26 Allowed 'General case' 0 CA--C 1.561 1.395 0 CA-C-O 126.639 3.114 . . . . 0.0 111.901 -170.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -134.57 -2.29 2.73 Favored 'General case' 0 C--O 1.267 1.99 1 O-C-N 114.32 -5.237 . . . . 0.0 114.401 -142.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . 0.258 38.8 ptt180 -52.69 -36.03 56.51 Favored 'General case' 0 CA--C 1.556 1.202 0 N-CA-C 118.806 2.891 . . . . 0.0 118.806 -172.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 62.8 p -81.64 -3.24 52.95 Favored 'General case' 0 CA--C 1.483 -1.621 0 C-N-CA 129.592 3.157 . . . . 0.0 112.619 -166.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.567 HD11 ' HB1' ' A' ' 110' ' ' ALA 0.301 2.7 pt? -134.19 -17.24 2.11 Favored 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 115.528 -2.177 . . . . 0.0 112.81 159.225 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.271 59.8 t30 31.59 46.52 0.05 Allowed 'General case' 0 CA--C 1.586 2.354 0 C-N-CA 127.091 2.156 . . . . 0.0 112.551 -167.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -149.8 125.95 10.67 Favored 'General case' 0 CA--C 1.571 1.755 0 O-C-N 128.082 3.364 . . . . 0.0 108.403 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 32.0 p -148.87 162.47 39.77 Favored 'General case' 0 N--CA 1.496 1.862 1 O-C-N 116.201 -4.062 . . . . 0.0 112.43 169.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -140.18 150.18 43.88 Favored 'General case' 0 N--CA 1.508 2.47 1 O-C-N 115.594 -4.441 . . . . 0.0 109.178 -171.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -126.61 140.84 52.12 Favored 'General case' 0 CA--C 1.615 3.462 0 C-N-CA 125.997 1.719 . . . . 0.0 110.886 -173.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 51.3 p -56.43 141.92 40.46 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 117.81 2.522 . . . . 0.0 117.81 -177.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.9 mtt-85 -75.53 -10.68 59.66 Favored 'General case' 0 N--CA 1.532 3.658 0 CA-C-N 110.233 -3.167 . . . . 0.0 109.922 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -162.71 166.29 24.57 Favored 'General case' 0 N--CA 1.514 2.73 0 C-N-CA 131.366 3.866 . . . . 0.0 114.751 -176.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 -77.93 158.08 29.5 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.591 1.956 . . . . 0.0 107.424 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.0 m -135.7 152.25 75.75 Favored Pre-proline 0 C--O 1.276 2.451 0 O-C-N 119.582 -1.949 . . . . 0.0 107.712 176.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -63.76 145.04 90.47 Favored 'Trans proline' 0 CA--C 1.473 -2.57 0 C-N-CA 121.887 1.725 . . . . 0.0 110.323 167.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 pp -154.66 175.52 13.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 117.467 -3.271 . . . . 0.0 108.721 -174.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.9 tp -149.51 112.27 4.8 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-O 127.179 3.371 . . . . 0.0 106.906 -175.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 58.2 t60 -86.68 151.09 23.71 Favored 'General case' 0 C--N 1.384 2.07 0 C-N-CA 129.511 3.125 . . . . 0.0 108.873 173.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 99.2 m -137.75 142.5 40.95 Favored 'General case' 0 N--CA 1.508 2.439 0 CA-C-N 111.859 -2.428 . . . . 0.0 111.355 -178.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . 0.271 13.8 t0 -139.55 154.09 47.57 Favored 'General case' 0 CA--C 1.568 1.672 0 CA-C-N 113.98 -1.464 . . . . 0.0 114.061 -171.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.9 tp -103.78 138.77 39.93 Favored 'General case' 0 C--O 1.304 3.941 0 N-CA-C 104.625 -2.361 . . . . 0.0 104.625 -169.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.332 1.2 pp -81.82 -23.95 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.136 0 O-C-N 119.657 -1.902 . . . . 0.0 112.136 -173.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -123.3 83.83 52.08 Favored Pre-proline 0 CA--C 1.493 -1.212 0 O-C-N 118.979 -2.326 . . . . 0.0 111.225 -172.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . 0.25 26.3 Cg_exo -47.67 19.98 0.01 OUTLIER 'Trans proline' 0 N--CA 1.515 2.783 1 C-N-CA 127.193 5.262 . . . . 0.0 120.148 177.905 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -133.86 -10.43 1.79 Allowed Glycine 0 C--O 1.193 -2.409 0 C-N-CA 127.795 2.617 . . . . 0.0 115.785 170.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.03 133.56 55.48 Favored 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 126.444 1.897 . . . . 0.0 111.593 164.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -141.96 -4.22 1.07 Allowed 'General case' 0 CA--C 1.593 2.622 0 CA-C-O 113.804 -2.998 . . . . 0.0 111.73 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -115.75 136.45 53.04 Favored 'General case' 0 CA--C 1.562 1.442 0 CA-C-N 125.035 3.561 . . . . 0.0 111.405 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.419 HG21 HD13 ' A' ' 93' ' ' ILE . 29.1 pt -48.9 -37.59 9.39 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.875 0 C-N-CA 129.285 3.034 . . . . 0.0 113.011 -175.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.2 p -51.49 -19.2 1.33 Allowed 'General case' 0 N--CA 1.508 2.454 0 O-C-N 116.729 -3.732 . . . . 0.0 116.297 165.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -137.82 -22.28 1.09 Allowed 'General case' 0 CA--C 1.59 2.485 0 CA-C-N 121.125 1.784 . . . . 0.0 114.004 -165.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 77.7 m -69.47 132.31 46.12 Favored 'General case' 0 C--O 1.278 2.583 0 C-N-CA 128.423 2.689 . . . . 0.0 115.766 173.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -139.7 153.56 47.26 Favored 'General case' 0 C--N 1.386 2.183 0 C-N-CA 128.049 2.539 . . . . 0.0 109.182 -177.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -128.29 166.19 19.09 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 116.958 2.207 . . . . 0.0 116.958 -169.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -148.95 159.3 44.33 Favored 'General case' 0 N--CA 1.513 2.679 0 N-CA-C 107.038 -1.468 . . . . 0.0 107.038 170.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -85.9 146.69 26.6 Favored 'General case' 0 CA--C 1.488 -1.405 0 C-N-CA 129.86 3.264 . . . . 0.0 112.841 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -141.66 75.43 21.87 Favored Pre-proline 0 C--N 1.352 0.697 0 O-C-N 118.825 -2.422 . . . . 0.0 107.573 167.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -58.4 157.8 25.21 Favored 'Trans proline' 0 C--N 1.398 3.169 0 N-CA-C 117.332 2.012 . . . . 0.0 117.332 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -166.46 -175.93 37.16 Favored Glycine 0 C--N 1.369 2.364 0 N-CA-C 120.343 2.897 . . . . 0.0 120.343 -173.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -151.92 103.98 2.96 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 127.296 2.239 . . . . 0.0 113.979 172.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 59.8 mtm-85 -138.57 166.16 25.03 Favored 'General case' 0 N--CA 1.52 3.05 0 O-C-N 118.458 -2.651 . . . . 0.0 114.741 -175.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -70.18 167.03 18.73 Favored 'General case' 0 N--CA 1.519 2.978 0 CA-C-N 120.191 1.36 . . . . 0.0 109.208 164.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -139.17 160.41 39.86 Favored 'General case' 0 C--N 1.381 1.937 1 O-C-N 114.669 -5.019 . . . . 0.0 117.249 177.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 25.2 t -132.78 133.99 58.76 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 CA-C-N 109.905 -3.316 . . . . 0.0 110.231 -174.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.5 m -136.34 147.16 27.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 O-C-N 124.744 1.278 . . . . 0.0 112.298 -173.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.567 ' HB1' HD11 ' A' ' 68' ' ' LEU . . . -95.23 157.77 15.75 Favored 'General case' 0 N--CA 1.521 3.088 0 O-C-N 118.131 -2.855 . . . . 0.0 108.902 158.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 30.4 m -150.25 143.9 25.25 Favored 'General case' 0 CA--C 1.584 2.254 0 C-N-CA 128.578 2.751 . . . . 0.0 111.519 -162.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -152.21 165.76 33.84 Favored 'General case' 0 CA--C 1.589 2.478 0 CA-C-N 121.164 1.802 . . . . 0.0 113.686 -168.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -48.44 137.71 11.1 Favored 'General case' 0 C--O 1.259 1.553 0 C-N-CA 126.48 1.912 . . . . 0.0 111.529 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.425 ' HD2' ' HA ' ' A' ' 123' ' ' PRO . 8.1 ptm180 -42.09 152.58 0.08 Allowed 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 121.464 3.876 . . . . 0.0 121.464 170.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -70.87 122.56 87.22 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 118.504 -2.623 . . . . 0.0 107.812 164.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -48.74 -34.93 29.0 Favored 'Trans proline' 0 C--N 1.368 1.583 1 C-N-CA 125.713 4.275 . . . . 0.0 117.872 -177.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 -110.35 18.26 20.03 Favored 'General case' 0 N--CA 1.507 2.377 0 O-C-N 120.692 -1.255 . . . . 0.0 112.102 -168.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -144.78 146.29 32.06 Favored 'General case' 0 N--CA 1.419 -1.978 0 O-C-N 118.484 -2.635 . . . . 0.0 113.707 -172.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . 0.318 6.5 m 50.28 51.46 10.7 Favored Pre-proline 0 CA--C 1.595 2.685 0 N-CA-C 119.515 3.154 . . . . 0.0 119.515 161.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -86.57 19.26 1.42 Allowed 'Trans proline' 0 C--N 1.383 2.377 0 CA-C-N 121.351 1.518 . . . . 0.0 112.87 -160.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -75.1 0.59 15.65 Favored 'General case' 0 CA--C 1.571 1.765 0 O-C-N 118.066 -2.896 . . . . 0.0 116.014 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -146.83 153.27 46.04 Favored Pre-proline 0 C--N 1.377 1.787 0 O-C-N 128.105 3.378 . . . . 0.0 110.291 175.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.425 ' HA ' ' HD2' ' A' ' 114' ' ' ARG . 58.1 Cg_endo -84.26 -15.31 6.6 Favored 'Trans proline' 0 C--O 1.266 1.884 1 C-N-CA 126.546 4.83 . . . . 0.0 112.929 173.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 9.3 m -133.39 166.26 29.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 CA-C-N 118.93 0.786 . . . . 0.0 112.268 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 22.2 m -147.04 153.5 45.47 Favored Pre-proline 0 N--CA 1.535 3.795 0 C-N-CA 126.872 2.069 . . . . 0.0 109.816 -176.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -63.31 152.04 81.86 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 124.679 3.586 . . . . 0.0 113.407 170.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 22.9 m -141.7 -11.33 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.523 3.217 0 C-N-CA 115.665 -2.414 . . . . 0.0 116.389 -177.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -164.19 145.65 8.63 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 113.647 -1.615 . . . . 0.0 112.26 -177.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 20.6 tp -102.18 134.13 45.93 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 116.23 -1.843 . . . . 0.0 113.867 172.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -103.28 -54.28 2.64 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 124.974 1.421 . . . . 0.0 110.819 -171.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.9 t -161.06 169.96 21.43 Favored 'General case' 0 C--N 1.379 1.851 0 CA-C-N 114.232 -1.349 . . . . 0.0 112.387 -175.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 43.1 p -137.28 143.75 42.33 Favored 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 126.161 2.163 . . . . 0.0 110.766 165.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.253 0.2 OUTLIER . . . . . 0 C--O 1.269 2.112 0 N-CA-C 117.331 2.345 . . . . 0.0 117.331 -161.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 203' ' ' SGN . . . . . 0.474 ' H3 ' ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 . . . . . 0 C--O 1.191 -1.977 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -55.47 155.26 21.44 Favored 'Trans proline' 0 C--N 1.386 2.502 1 C-N-CA 128.918 6.412 . . . . 0.0 115.287 176.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -70.22 -11.21 29.82 Favored 'Trans proline' 0 N--CA 1.416 -3.08 0 C-N-CA 122.844 2.362 . . . . 0.0 112.954 -159.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -145.96 24.18 1.34 Allowed 'General case' 0 CA--C 1.624 3.806 0 O-C-N 119.516 -1.99 . . . . 0.0 113.716 166.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -140.48 155.94 46.51 Favored 'General case' 0 CA--C 1.555 1.146 1 CA-C-O 128.588 4.042 . . . . 0.0 111.58 -175.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.3 p -71.6 159.34 34.6 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 116.31 -3.994 . . . . 0.0 113.418 145.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -60.56 -49.46 77.44 Favored 'General case' 0 C--N 1.361 1.085 0 CA-C-O 111.724 -3.989 . . . . 0.0 111.375 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.439 ' HB2' ' HB ' ' A' ' 125' ' ' VAL 0.277 . . -45.25 -53.15 8.69 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 127.618 3.074 . . . . 0.0 112.11 172.672 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -65.94 -35.26 80.12 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 119.79 -1.819 . . . . 0.0 114.617 -178.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -80.09 -32.55 39.22 Favored 'General case' 0 N--CA 1.499 2.02 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.254 174.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -59.76 -36.02 75.79 Favored 'General case' 0 C--O 1.275 2.434 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 164.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.28 -52.39 14.14 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 120.596 -1.315 . . . . 0.0 109.974 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.8 mt -56.79 -32.0 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.556 0 O-C-N 116.505 -3.872 . . . . 0.0 109.702 -178.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -81.14 -18.9 44.8 Favored 'General case' 0 N--CA 1.519 2.992 0 N-CA-C 116.95 2.204 . . . . 0.0 116.95 176.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -153.84 -9.0 0.15 Allowed 'General case' 0 C--O 1.187 -2.219 0 CA-C-O 113.803 -2.998 . . . . 0.0 116.388 -168.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.4 mm -134.91 102.18 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 O-C-N 127.956 3.285 . . . . 0.0 108.381 -176.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.1 m -154.01 104.73 2.67 Favored 'General case' 0 N--CA 1.486 1.346 1 O-C-N 129.771 4.419 . . . . 0.0 107.071 -159.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.7 tp -76.83 -31.27 56.78 Favored 'General case' 0 C--O 1.253 1.28 0 CA-C-O 114.699 -2.572 . . . . 0.0 113.245 -165.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -143.36 50.83 1.47 Allowed Pre-proline 0 N--CA 1.512 2.631 0 CA-C-N 121.903 2.138 . . . . 0.0 110.893 -173.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -69.26 161.25 46.6 Favored 'Trans proline' 0 C--N 1.296 -2.198 1 C-N-CA 129.368 6.712 . . . . 0.0 116.817 -166.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -81.7 179.89 5.37 Favored 'Trans proline' 0 N--CA 1.413 -3.215 0 C-N-CA 124.558 3.505 . . . . 0.0 108.923 173.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -73.09 172.41 11.1 Favored 'General case' 0 C--N 1.374 1.651 0 C-N-CA 118.36 -1.336 . . . . 0.0 110.987 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 77.1 m -60.82 -25.65 66.76 Favored 'General case' 0 CA--C 1.575 1.91 0 CA-C-O 114.516 -2.659 . . . . 0.0 111.169 -177.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.4 p -47.95 -31.5 5.31 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 128.355 2.662 . . . . 0.0 112.36 168.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.3 mm -115.21 -47.01 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 CA-C-O 122.927 1.346 . . . . 0.0 110.544 -177.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.7 -28.58 68.75 Favored 'General case' 0 C--O 1.267 1.983 0 C-N-CA 130.391 3.476 . . . . 0.0 111.01 -168.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 87.3 mmm -64.49 -32.46 74.1 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 173.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -56.62 -29.58 62.35 Favored 'General case' 0 N--CA 1.509 2.515 0 O-C-N 124.385 1.053 . . . . 0.0 113.229 -166.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -12.61 15.49 Favored 'General case' 0 C--O 1.252 1.227 0 C-N-CA 126.95 2.1 . . . . 0.0 113.928 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.5 pt -129.02 -38.22 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 N-CA-C 104.997 -2.223 . . . . 0.0 104.997 173.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -78.28 -28.44 47.58 Favored 'General case' 0 N--CA 1.511 2.597 0 CA-C-N 123.57 2.896 . . . . 0.0 114.044 -171.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -89.69 -33.88 16.45 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 165.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -80.06 -37.24 34.28 Favored 'General case' 0 C--O 1.169 -3.175 0 C-N-CA 127.648 2.379 . . . . 0.0 111.211 -174.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 -86.42 167.42 14.72 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 124.706 1.202 . . . . 0.0 111.406 170.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.22 -12.04 60.45 Favored 'General case' 0 N--CA 1.52 3.041 0 N-CA-C 117.489 2.403 . . . . 0.0 117.489 -165.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -152.13 153.2 33.42 Favored 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 130.707 3.603 . . . . 0.0 107.287 -174.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 83.4 m -57.37 124.4 18.78 Favored 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 130.21 3.404 . . . . 0.0 115.703 162.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -75.17 145.0 42.47 Favored 'General case' 0 CA--C 1.589 2.457 0 C-N-CA 125.484 1.513 . . . . 0.0 114.272 163.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -78.1 -30.25 49.4 Favored 'General case' 0 C--N 1.297 -1.705 0 C-N-CA 129.754 3.221 . . . . 0.0 110.842 -169.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -151.57 150.22 30.06 Favored 'General case' 0 CA--C 1.612 3.333 1 C-N-CA 132.715 4.406 . . . . 0.0 114.154 -174.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -147.87 169.07 20.62 Favored 'General case' 0 C--O 1.205 -1.255 0 C-N-CA 117.08 -1.848 . . . . 0.0 115.393 158.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.8 m -129.77 132.33 46.52 Favored 'General case' 0 N--CA 1.507 2.417 0 C-N-CA 127.365 2.266 . . . . 0.0 110.966 169.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -119.48 135.3 54.83 Favored 'General case' 0 N--CA 1.443 -0.82 0 O-C-N 123.956 0.785 . . . . 0.0 112.009 164.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.1 mp -98.33 133.95 42.02 Favored 'General case' 0 N--CA 1.392 -3.333 0 CA-C-O 124.153 1.93 . . . . 0.0 107.65 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . 0.259 71.5 mtp180 -76.66 56.43 1.14 Allowed 'General case' 0 C--O 1.194 -1.822 0 N-CA-C 118.428 2.751 . . . . 0.0 118.428 167.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.3 t -133.0 178.84 6.57 Favored 'General case' 0 CA--C 1.577 2.013 0 C-N-CA 124.296 1.038 . . . . 0.0 113.737 172.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.7 p -97.59 157.93 15.76 Favored 'General case' 0 C--N 1.289 -2.064 0 O-C-N 118.171 -2.83 . . . . 0.0 107.698 -169.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -56.9 -40.65 76.66 Favored 'General case' 0 CA--C 1.59 2.496 0 C-N-CA 127.393 2.277 . . . . 0.0 111.705 175.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.65 91.57 Favored 'General case' 0 C--O 1.2 -1.531 0 CA-C-O 117.893 -1.051 . . . . 0.0 112.253 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -49.35 -42.31 41.47 Favored 'General case' 0 C--O 1.268 2.051 0 C-N-CA 125.088 1.355 . . . . 0.0 110.631 171.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . 0.287 1.4 t -63.69 -50.16 79.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 CA-C-O 115.263 -2.303 . . . . 0.0 115.323 173.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.2 t -55.42 -27.01 20.09 Favored 'Isoleucine or valine' 0 C--O 1.269 2.109 0 O-C-N 126.788 2.555 . . . . 0.0 116.943 175.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -68.31 -53.77 22.03 Favored 'General case' 0 C--N 1.374 1.655 0 C-N-CA 128.64 2.776 . . . . 0.0 111.021 167.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.0 t -55.38 -35.31 36.63 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.333 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 171.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 80.3 m -63.32 5.16 0.18 Allowed 'General case' 0 N--CA 1.517 2.894 0 C-N-CA 127.898 2.479 . . . . 0.0 113.973 166.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -132.41 5.13 5.24 Favored Glycine 0 CA--C 1.541 1.689 0 CA-C-N 121.681 2.037 . . . . 0.0 110.782 173.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -66.89 167.97 10.63 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 115.813 1.782 . . . . 0.0 115.813 167.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -47.73 140.98 5.85 Favored 'General case' 0 N--CA 1.406 -2.665 0 N-CA-C 117.727 2.492 . . . . 0.0 117.727 175.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.4 m -91.37 115.33 27.95 Favored 'General case' 0 N--CA 1.5 2.043 0 C-N-CA 126.459 1.903 . . . . 0.0 110.379 -169.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.415 HD13 HG21 ' A' ' 60' ' ' ILE . 18.8 pt -124.12 -175.02 1.04 Allowed 'Isoleucine or valine' 0 C--O 1.259 1.601 0 O-C-N 125.631 1.832 . . . . 0.0 114.973 170.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -124.3 161.99 24.7 Favored 'General case' 0 C--O 1.267 1.994 0 O-C-N 125.247 1.592 . . . . 0.0 106.746 172.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 85.4 m -133.56 165.8 34.04 Favored Pre-proline 0 N--CA 1.4 -2.945 0 O-C-N 117.972 -2.955 . . . . 0.0 111.105 -169.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -84.55 5.63 6.18 Favored 'Trans proline' 0 N--CA 1.501 1.912 0 C-N-CA 123.827 3.018 . . . . 0.0 115.463 -175.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -136.85 34.92 2.62 Favored 'General case' 0 N--CA 1.518 2.965 0 O-C-N 117.816 -3.053 . . . . 0.0 111.787 169.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -126.15 1.72 7.17 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-O 115.894 -2.003 . . . . 0.0 113.224 -162.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.6 ptt85 -59.1 -20.76 56.42 Favored 'General case' 0 N--CA 1.514 2.73 0 C-N-CA 127.206 2.202 . . . . 0.0 114.853 -165.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.5 p -70.04 -11.92 61.23 Favored 'General case' 0 N--CA 1.528 3.463 0 N-CA-C 117.107 2.262 . . . . 0.0 117.107 175.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -144.61 -8.66 0.65 Allowed 'General case' 0 C--N 1.38 1.925 0 N-CA-C 118.736 2.865 . . . . 0.0 118.736 161.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 62.1 t30 56.24 43.82 25.93 Favored 'General case' 0 C--O 1.166 -3.301 1 CA-C-N 126.152 4.069 . . . . 0.0 111.385 165.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -166.47 102.27 0.6 Allowed 'General case' 0 C--N 1.357 0.895 0 CA-C-N 111.269 -2.696 . . . . 0.0 107.064 -169.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.0 p -140.93 174.43 10.53 Favored 'General case' 0 N--CA 1.524 3.259 0 O-C-N 125.18 1.55 . . . . 0.0 107.703 173.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -140.64 152.44 45.4 Favored 'General case' 0 N--CA 1.515 2.814 0 CA-C-O 113.936 -2.935 . . . . 0.0 114.447 -177.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -126.45 153.29 45.26 Favored 'General case' 0 CA--C 1.491 -1.297 0 CA-C-N 122.385 2.357 . . . . 0.0 110.856 177.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.438 ' HB3' ' CE2' ' A' ' 107' ' ' TYR . 73.3 p -67.02 143.58 56.68 Favored 'General case' 0 N--CA 1.427 -1.606 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 -173.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.4 mtt-85 -56.95 -36.31 70.13 Favored 'General case' 0 C--O 1.26 1.652 0 C-N-CA 127.316 2.247 . . . . 0.0 112.871 173.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -135.33 -176.2 4.19 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-O 125.611 2.624 . . . . 0.0 111.454 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 -79.97 151.55 29.99 Favored 'General case' 0 C--N 1.377 1.77 0 O-C-N 119.374 -2.079 . . . . 0.0 109.331 168.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.0 m -132.11 159.9 70.19 Favored Pre-proline 0 C--N 1.362 1.119 0 O-C-N 123.941 0.775 . . . . 0.0 112.211 167.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.08 153.5 74.8 Favored 'Trans proline' 0 C--N 1.386 2.513 0 C-N-CA 124.576 3.518 . . . . 0.0 113.616 171.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.5 pp -156.47 171.62 19.96 Favored 'General case' 0 CA--C 1.594 2.637 0 C-N-CA 126.187 1.795 . . . . 0.0 115.837 -178.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 63.7 tp -125.93 117.3 23.0 Favored 'General case' 0 CA--C 1.559 1.308 0 O-C-N 126.359 2.287 . . . . 0.0 115.939 160.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -85.6 153.1 22.62 Favored 'General case' 0 C--O 1.253 1.267 0 CA-C-N 120.96 1.709 . . . . 0.0 111.377 162.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 86.6 m -143.05 153.86 43.37 Favored 'General case' 0 CA--C 1.585 2.305 0 O-C-N 125.637 1.835 . . . . 0.0 111.927 -173.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.478 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 20.2 t70 -152.84 129.52 10.82 Favored 'General case' 0 N--CA 1.398 -3.056 0 C-N-CA 124.665 1.186 . . . . 0.0 110.193 -154.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.3 tp -76.16 95.59 3.71 Favored 'General case' 0 N--CA 1.42 -1.964 0 CA-C-O 113.606 -3.093 . . . . 0.0 113.756 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.3 pt -54.71 -21.28 6.91 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.73 0 CA-C-N 124.788 3.449 . . . . 0.0 117.934 -172.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -127.28 111.91 21.37 Favored Pre-proline 0 C--O 1.275 2.446 0 CA-C-O 123.546 1.641 . . . . 0.0 110.324 157.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_exo -62.38 -22.93 74.76 Favored 'Trans proline' 0 N--CA 1.502 2.005 0 C-N-CA 124.113 3.208 . . . . 0.0 113.745 173.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -60.35 -7.04 6.64 Favored Glycine 0 C--N 1.355 1.621 0 CA-C-O 113.426 -3.986 . . . . 0.0 118.802 167.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.15 138.98 31.03 Favored 'General case' 0 CA--C 1.592 2.588 0 O-C-N 128.655 3.209 . . . . 0.0 109.865 -166.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -141.64 -40.05 0.38 Allowed 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 118.501 2.778 . . . . 0.0 118.501 -174.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -83.64 138.52 33.3 Favored 'General case' 0 C--O 1.266 1.953 0 C-N-CA 129.435 3.094 . . . . 0.0 114.746 155.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.8 pt -48.43 -13.36 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.576 1.959 0 N-CA-C 120.183 3.401 . . . . 0.0 120.183 174.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.5 p -72.38 -14.05 61.62 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 126.855 2.062 . . . . 0.0 114.13 176.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -128.4 -24.13 3.12 Favored 'General case' 0 CA--C 1.477 -1.831 0 C-N-CA 124.541 1.136 . . . . 0.0 109.237 176.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 57.3 m -68.5 121.84 17.2 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 117.027 -3.546 . . . . 0.0 113.684 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -149.79 166.87 28.14 Favored 'General case' 0 C--O 1.255 1.374 0 C-N-CA 129.133 2.973 . . . . 0.0 105.978 -173.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.478 ' HA ' ' O ' ' A' ' 84' ' ' ASP . 51.4 m-85 -149.38 160.84 43.09 Favored 'General case' 0 CA--C 1.581 2.144 0 O-C-N 119.817 -1.802 . . . . 0.0 107.794 -152.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -147.75 159.69 43.53 Favored 'General case' 0 N--CA 1.405 -2.694 0 CA-C-O 122.754 1.264 . . . . 0.0 111.058 168.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -97.93 148.39 23.5 Favored 'General case' 0 CA--C 1.578 2.052 0 C-N-CA 126.834 2.054 . . . . 0.0 105.461 -149.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -143.18 88.72 8.03 Favored Pre-proline 0 CA--C 1.583 2.239 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.142 164.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -62.79 154.23 67.39 Favored 'Trans proline' 0 C--N 1.384 2.411 0 C-N-CA 122.267 1.978 . . . . 0.0 112.082 175.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -166.3 -172.22 33.37 Favored Glycine 1 CA--C 1.582 4.251 0 O-C-N 119.197 -2.189 . . . . 0.0 111.195 178.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -157.86 104.32 1.93 Allowed 'General case' 0 C--O 1.278 2.603 0 C-N-CA 128.992 2.917 . . . . 0.0 106.932 -176.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 80.6 mtm-85 -142.64 166.23 25.21 Favored 'General case' 0 N--CA 1.501 2.106 0 C-N-CA 125.878 1.671 . . . . 0.0 113.452 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -70.32 171.89 9.17 Favored 'General case' 0 CA--C 1.584 2.264 0 C-N-CA 128.649 2.78 . . . . 0.0 109.787 156.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.438 ' CE2' ' HB3' ' A' ' 74' ' ' SER . 37.2 p90 -148.61 167.71 24.72 Favored 'General case' 0 C--O 1.3 3.735 0 O-C-N 119.688 -1.882 . . . . 0.0 115.237 -175.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.1 t -132.66 135.96 56.65 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.642 0 CA-C-O 122.666 1.222 . . . . 0.0 108.613 175.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.6 m -135.67 148.43 28.18 Favored 'Isoleucine or valine' 0 C--N 1.385 2.146 0 O-C-N 120.832 -1.167 . . . . 0.0 109.441 -174.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -101.56 153.3 19.86 Favored 'General case' 0 N--CA 1.5 2.055 0 C-N-CA 116.177 -2.209 . . . . 0.0 105.701 164.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 12.5 m -134.47 173.72 11.34 Favored 'General case' 0 C--O 1.271 2.191 0 N-CA-C 116.56 2.059 . . . . 0.0 116.56 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . 0.255 25.3 t0 -152.99 164.44 37.97 Favored 'General case' 0 C--O 1.262 1.74 0 O-C-N 127.068 2.73 . . . . 0.0 111.175 -171.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -88.31 170.16 11.22 Favored 'General case' 0 CA--C 1.579 2.087 0 CA-C-O 115.947 -1.978 . . . . 0.0 111.953 -162.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -63.87 128.39 35.6 Favored 'General case' 0 CA--C 1.562 1.413 0 CA-C-N 121.386 1.903 . . . . 0.0 111.906 -174.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -71.71 129.74 88.02 Favored Pre-proline 0 N--CA 1.504 2.246 0 CA-C-O 116.883 -1.532 . . . . 0.0 111.032 171.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -64.65 -13.01 36.54 Favored 'Trans proline' 0 CA--C 1.573 2.427 0 C-N-CA 123.062 2.508 . . . . 0.0 112.78 -172.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 44.3 mtm180 -111.71 9.08 20.92 Favored 'General case' 0 CA--C 1.565 1.548 0 CA-C-O 113.597 -3.096 . . . . 0.0 114.884 172.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -146.38 151.12 36.95 Favored 'General case' 0 CA--C 1.593 2.597 0 CA-C-N 122.591 2.451 . . . . 0.0 114.581 174.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.6 m 55.36 43.35 1.27 Allowed Pre-proline 0 N--CA 1.515 2.789 0 C-N-CA 126.223 1.809 . . . . 0.0 115.082 169.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -56.28 -11.07 5.46 Favored 'Trans proline' 0 CA--C 1.563 1.975 0 N-CA-C 118.081 2.3 . . . . 0.0 118.081 -176.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -74.64 -14.76 60.8 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 119.477 -2.014 . . . . 0.0 112.107 -177.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -130.46 142.47 45.58 Favored Pre-proline 0 CA--C 1.585 2.318 0 CA-C-N 120.336 1.426 . . . . 0.0 111.401 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.86 -16.34 18.41 Favored 'Trans proline' 0 CA--C 1.576 2.584 0 O-C-N 115.834 -2.771 . . . . 0.0 115.191 -176.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.4 m -141.0 154.09 20.89 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.162 0 O-C-N 127.531 3.019 . . . . 0.0 112.708 -172.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.439 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 17.2 m -131.79 151.72 79.07 Favored Pre-proline 0 CA--C 1.58 2.099 0 CA-C-N 123.813 3.006 . . . . 0.0 110.948 171.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.9 158.34 34.74 Favored 'Trans proline' 0 N--CA 1.521 3.146 0 C-N-CA 122.558 2.172 . . . . 0.0 113.645 172.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 35.7 m -138.63 -27.49 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.443 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -173.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -153.06 156.42 38.72 Favored 'General case' 0 C--N 1.282 -2.367 0 C-N-CA 131.508 3.923 . . . . 0.0 115.268 -176.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.13 130.02 40.61 Favored 'General case' 0 C--O 1.251 1.144 0 CA-C-N 124.036 3.107 . . . . 0.0 105.614 176.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -85.52 -48.96 8.45 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 129.119 2.967 . . . . 0.0 115.958 -177.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.7 t -165.05 -174.51 3.32 Favored 'General case' 0 C--O 1.192 -1.957 0 C-N-CA 125.49 1.516 . . . . 0.0 114.278 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 78.2 p -132.85 144.05 49.94 Favored 'General case' 0 C--O 1.286 2.986 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.098 165.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.276 0.2 OUTLIER . . . . . 0 N--CA 1.516 2.846 0 N-CA-C 120.185 3.402 . . . . 0.0 120.185 -176.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 203' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 . . . . . 0 CA--C 1.476 -1.887 0 CA-C-O 115.732 -2.08 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -45.36 144.49 4.54 Favored 'Trans proline' 0 N--CA 1.443 -1.493 0 C-N-CA 123.14 2.56 . . . . 0.0 114.344 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -44.03 -20.19 0.27 Allowed 'Trans proline' 1 N--CA 1.38 -5.167 1 C-N-CA 127.517 5.478 . . . . 0.0 122.332 -179.567 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -157.77 13.37 0.22 Allowed 'General case' 0 CA--C 1.581 2.156 0 O-C-N 119.133 -2.23 . . . . 0.0 115.245 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -140.01 169.19 18.16 Favored 'General case' 0 CA--C 1.59 2.519 0 C-N-CA 126.884 2.074 . . . . 0.0 108.598 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 53.2 p -89.8 157.55 17.89 Favored 'General case' 0 N--CA 1.507 2.418 0 CA-C-O 123.676 1.703 . . . . 0.0 112.958 157.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -48.72 -32.86 9.13 Favored 'General case' 0 C--N 1.406 3.045 0 O-C-N 119.597 -1.94 . . . . 0.0 114.012 174.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.66 -44.33 64.47 Favored 'General case' 0 CA--C 1.566 1.576 0 C-N-CA 128.961 2.904 . . . . 0.0 110.233 176.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -70.15 -41.41 73.9 Favored 'General case' 0 CA--C 1.558 1.265 0 CA-C-O 125.709 2.671 . . . . 0.0 111.463 -177.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.348 65.1 t-105 -71.1 -27.11 63.36 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 116.483 -3.886 . . . . 0.0 114.093 174.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -61.06 -50.4 73.44 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 119.408 -2.058 . . . . 0.0 109.807 161.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.27 -48.47 80.35 Favored 'General case' 0 C--N 1.371 1.54 0 N-CA-C 117.977 2.584 . . . . 0.0 117.977 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . 0.255 27.6 mt -57.68 -34.44 47.6 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.07 0 C-N-CA 127.773 2.429 . . . . 0.0 116.767 172.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -78.33 -22.09 48.57 Favored 'General case' 0 C--N 1.286 -2.183 0 CA-C-O 117.526 -1.226 . . . . 0.0 114.163 170.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.356 93.6 m-70 -137.26 -32.34 0.78 Allowed 'General case' 0 N--CA 1.505 2.277 0 N-CA-C 119.718 3.229 . . . . 0.0 119.718 -159.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.9 mm -119.49 113.62 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 117.889 -3.007 . . . . 0.0 114.027 -169.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -157.52 111.29 2.57 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-N 111.034 -2.803 . . . . 0.0 105.281 -170.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.287 13.1 tp -59.15 -15.62 15.51 Favored 'General case' 0 CA--C 1.565 1.546 0 N-CA-C 118.23 2.678 . . . . 0.0 118.23 175.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -156.28 67.31 4.51 Favored Pre-proline 0 C--N 1.407 3.072 0 CA-C-O 126.589 3.09 . . . . 0.0 114.147 173.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -66.92 132.63 28.81 Favored 'Trans proline' 0 C--O 1.283 2.77 1 C-N-CA 128.095 5.863 . . . . 0.0 110.635 -174.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -68.32 -176.52 1.13 Allowed 'Trans proline' 0 C--O 1.186 -2.095 0 C-N-CA 124.93 3.754 . . . . 0.0 109.989 -174.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 56.3 mmt-85 -45.71 140.25 3.56 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 126.993 3.283 . . . . 0.0 108.27 164.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 55.4 m -66.01 -26.84 67.72 Favored 'General case' 0 CA--C 1.582 2.189 0 O-C-N 117.394 -3.316 . . . . 0.0 109.632 -178.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.0 p -38.91 -46.12 1.27 Allowed 'General case' 0 C--O 1.177 -2.731 0 C-N-CA 126.462 1.905 . . . . 0.0 114.595 159.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.1 mm -89.25 -54.19 8.13 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.51 0 CA-C-O 116.492 -1.718 . . . . 0.0 110.317 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.49 -42.74 83.3 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 116.947 -1.501 . . . . 0.0 108.552 -169.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.428 ' HG3' ' CD1' ' A' ' 98' ' ' TYR . 27.2 mmm -48.81 -36.81 17.55 Favored 'General case' 0 N--CA 1.426 -1.667 0 CA-C-N 121.941 2.155 . . . . 0.0 114.97 179.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -57.27 -31.41 65.57 Favored 'General case' 0 C--O 1.274 2.355 0 C-N-CA 129.282 3.033 . . . . 0.0 112.861 -173.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.53 -29.09 9.78 Favored 'General case' 1 CA--C 1.634 4.192 0 C-N-CA 129.762 3.225 . . . . 0.0 112.452 179.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.9 pt -125.99 -45.14 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.414 -2.25 0 C-N-CA 126.921 2.089 . . . . 0.0 111.946 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -59.41 -11.97 5.24 Favored 'General case' 0 C--O 1.195 -1.798 0 N-CA-C 116.638 2.088 . . . . 0.0 116.638 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -116.74 -2.64 11.84 Favored 'General case' 0 CA--C 1.589 2.476 0 O-C-N 118.249 -2.782 . . . . 0.0 112.836 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -105.34 -4.66 21.26 Favored 'General case' 0 CA--C 1.572 1.812 0 C-N-CA 128.524 2.73 . . . . 0.0 113.083 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -139.13 170.84 15.23 Favored 'General case' 1 N--CA 1.56 5.063 0 C-N-CA 125.606 1.563 . . . . 0.0 110.479 178.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -53.28 -32.51 48.97 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 118.033 2.605 . . . . 0.0 118.033 -173.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -143.73 170.04 16.61 Favored 'General case' 0 C--O 1.2 -1.514 0 CA-C-O 126.633 3.111 . . . . 0.0 110.813 -167.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 89.3 m -79.94 103.26 9.71 Favored 'General case' 0 CA--C 1.565 1.54 0 O-C-N 119.333 -2.105 . . . . 0.0 108.858 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -67.72 136.13 53.8 Favored 'General case' 0 C--N 1.378 1.812 0 N-CA-C 101.812 -3.403 . . . . 0.0 101.812 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -62.02 -47.62 83.95 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 117.911 2.56 . . . . 0.0 117.911 176.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -130.24 157.42 42.55 Favored 'General case' 0 C--N 1.283 -2.317 0 O-C-N 116.939 -3.601 . . . . 0.0 106.859 -177.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -164.45 166.66 20.33 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 125.837 1.96 . . . . 0.0 115.684 159.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.8 m -139.62 133.2 30.35 Favored 'General case' 0 CA--C 1.562 1.425 0 C-N-CA 117.199 -1.8 . . . . 0.0 108.618 -165.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -136.17 109.69 7.97 Favored 'General case' 0 C--O 1.185 -2.309 0 C-N-CA 125.579 1.551 . . . . 0.0 108.86 -165.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -101.02 143.1 31.56 Favored 'General case' 0 CA--C 1.463 -2.402 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 -160.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -95.09 63.75 2.69 Favored 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 -171.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.8 t -141.23 -166.59 2.21 Favored 'General case' 0 CA--C 1.572 1.821 0 C-N-CA 126.886 2.074 . . . . 0.0 109.315 -178.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.2 p -141.55 150.4 42.06 Favored 'General case' 0 C--O 1.194 -1.822 0 O-C-N 119.283 -2.135 . . . . 0.0 114.667 -175.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.487 ' CZ ' ' HD2' ' A' ' 126' ' ' PRO . 44.3 t80 -55.04 -51.48 66.17 Favored 'General case' 0 C--O 1.188 -2.158 0 N-CA-C 115.907 1.817 . . . . 0.0 115.907 -165.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.89 -43.83 49.59 Favored 'General case' 0 CA--C 1.569 1.699 0 O-C-N 117.977 -2.952 . . . . 0.0 111.462 166.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -69.43 -21.65 63.73 Favored 'General case' 0 CA--C 1.505 -0.76 0 O-C-N 117.069 -3.519 . . . . 0.0 115.823 174.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 43.2 t -75.8 -40.87 39.76 Favored 'Isoleucine or valine' 0 CA--C 1.61 3.254 0 O-C-N 120.005 -1.685 . . . . 0.0 112.79 168.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.5 t -58.61 -31.12 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 118.032 -2.917 . . . . 0.0 107.472 177.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -56.1 -23.45 34.11 Favored 'General case' 0 N--CA 1.518 2.963 0 CA-C-N 122.995 2.634 . . . . 0.0 116.337 167.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.5 t -76.99 -31.99 19.19 Favored 'Isoleucine or valine' 0 C--N 1.362 1.129 0 O-C-N 116.774 -3.704 . . . . 0.0 112.222 171.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 63.8 m -70.03 -0.23 7.21 Favored 'General case' 0 CA--C 1.579 2.093 0 O-C-N 124.324 1.015 . . . . 0.0 109.027 175.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -109.12 2.12 31.4 Favored Glycine 0 C--O 1.265 2.081 0 C-N-CA 127.857 2.646 . . . . 0.0 111.571 168.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -78.57 -176.58 4.9 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 120.792 2.296 . . . . 0.0 111.44 174.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -61.37 154.59 23.65 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 119.356 -2.09 . . . . 0.0 110.928 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.1 m -84.27 126.74 33.45 Favored 'General case' 0 C--O 1.26 1.627 0 CA-C-O 127.676 3.608 . . . . 0.0 113.968 169.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 14.6 pt -124.68 -179.29 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.843 0 CA-C-N 111.772 -2.467 . . . . 0.0 111.158 166.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -125.37 144.26 50.59 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 -173.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 69.6 m -140.97 155.54 68.81 Favored Pre-proline 0 CA--C 1.578 2.048 0 C-N-CA 126.6 1.96 . . . . 0.0 112.929 -160.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -74.7 -11.74 22.1 Favored 'Trans proline' 0 C--N 1.408 3.659 0 N-CA-C 117.589 2.111 . . . . 0.0 117.589 -170.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -136.49 40.24 2.62 Favored 'General case' 0 N--CA 1.504 2.25 0 C-N-CA 118.324 -1.351 . . . . 0.0 109.843 -174.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -128.21 -4.11 5.58 Favored 'General case' 0 CA--C 1.602 2.953 0 C-N-CA 129.781 3.232 . . . . 0.0 116.273 -159.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -50.1 -35.05 23.96 Favored 'General case' 0 C--O 1.185 -2.319 0 C-N-CA 128.937 2.895 . . . . 0.0 113.134 -164.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.2 p -64.11 -10.7 24.14 Favored 'General case' 0 C--N 1.385 2.134 1 O-C-N 129.211 4.069 . . . . 0.0 118.646 177.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -135.94 -18.28 1.6 Allowed 'General case' 0 C--N 1.381 1.965 0 CA-C-O 115.679 -2.105 . . . . 0.0 111.959 167.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.423 38.9 t-20 60.91 20.69 10.97 Favored 'General case' 0 CA--C 1.569 1.676 1 C-N-CA 131.882 4.073 . . . . 0.0 115.14 -177.944 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -135.75 130.09 33.58 Favored 'General case' 0 C--N 1.28 -2.453 0 C-N-CA 126.523 1.929 . . . . 0.0 110.815 -174.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 30.3 p -154.1 171.99 18.25 Favored 'General case' 0 CA--C 1.59 2.507 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 -178.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -148.15 143.57 27.19 Favored 'General case' 0 N--CA 1.507 2.398 0 O-C-N 118.893 -2.379 . . . . 0.0 108.211 -167.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -113.96 148.76 36.34 Favored 'General case' 0 C--N 1.385 2.149 0 C-N-CA 126.461 1.904 . . . . 0.0 108.65 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.3 p -71.16 143.11 50.64 Favored 'General case' 0 N--CA 1.501 2.111 0 CA-C-O 125.346 2.498 . . . . 0.0 112.772 -171.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.5 mtt-85 -63.99 -24.51 67.75 Favored 'General case' 0 C--O 1.25 1.1 0 CA-C-O 125.73 2.681 . . . . 0.0 116.079 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -140.36 174.34 10.61 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-O 112.438 -3.649 . . . . 0.0 113.45 -177.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -81.76 150.81 27.74 Favored 'General case' 0 C--O 1.266 1.958 0 O-C-N 127.7 3.125 . . . . 0.0 113.515 166.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 104' ' ' ARG . 3.3 m -119.65 153.49 54.33 Favored Pre-proline 0 C--O 1.274 2.392 0 O-C-N 127.193 2.808 . . . . 0.0 110.628 177.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -68.61 146.61 67.89 Favored 'Trans proline' 0 CA--C 1.557 1.674 0 N-CA-C 104.324 -2.991 . . . . 0.0 104.324 155.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.436 HD22 HG21 ' A' ' 132' ' ' THR . 2.8 pp -153.08 154.16 34.29 Favored 'General case' 0 C--O 1.255 1.374 0 O-C-N 119.876 -1.765 . . . . 0.0 111.533 173.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . 0.288 19.1 tp -108.36 110.68 22.31 Favored 'General case' 0 CA--C 1.485 -1.537 0 CA-C-N 112.13 -2.305 . . . . 0.0 110.328 170.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . 0.268 70.7 t60 -88.61 141.73 28.28 Favored 'General case' 0 C--O 1.2 -1.523 0 N-CA-C 102.655 -3.091 . . . . 0.0 102.655 162.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 84.9 m -113.66 154.57 27.02 Favored 'General case' 0 C--N 1.267 -2.992 0 C-N-CA 127.918 2.487 . . . . 0.0 111.983 171.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . 0.262 57.7 t0 -139.5 173.07 11.92 Favored 'General case' 0 N--CA 1.409 -2.521 0 C-N-CA 129.961 3.304 . . . . 0.0 112.238 -178.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.0 tp -128.9 124.86 36.29 Favored 'General case' 0 C--O 1.266 1.969 0 C-N-CA 131.409 3.884 . . . . 0.0 108.25 -172.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.271 29.3 pt -72.73 -16.94 18.18 Favored 'Isoleucine or valine' 0 C--N 1.376 1.75 0 N-CA-C 116.424 2.009 . . . . 0.0 116.424 -171.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -141.46 106.47 6.01 Favored Pre-proline 0 C--O 1.207 -1.155 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . 0.326 9.4 Cg_endo -53.98 -12.83 3.82 Favored 'Trans proline' 1 N--CA 1.551 4.858 1 C-N-CA 126.987 5.125 . . . . 0.0 116.596 167.992 . . . . . . . . 4 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -77.26 -37.35 32.19 Favored Glycine 0 C--O 1.249 1.045 0 O-C-N 125.016 1.448 . . . . 0.0 115.408 173.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -49.94 127.32 16.17 Favored 'General case' 0 C--O 1.271 2.217 0 O-C-N 128.66 3.212 . . . . 0.0 113.49 -177.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . 0.255 40.0 mt-30 -134.64 0.64 3.01 Favored 'General case' 0 N--CA 1.529 3.513 0 O-C-N 118.196 -2.815 . . . . 0.0 116.578 -176.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -131.99 136.27 47.16 Favored 'General case' 0 C--O 1.27 2.18 0 C-N-CA 128.58 2.752 . . . . 0.0 105.597 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 8.8 pt -55.61 -22.05 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.499 0 O-C-N 118.884 -2.385 . . . . 0.0 115.294 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.4 p -65.39 -14.02 59.95 Favored 'General case' 1 N--CA 1.561 5.122 0 C-N-CA 125.645 1.578 . . . . 0.0 114.006 172.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -125.24 -44.1 1.9 Allowed 'General case' 0 N--CA 1.427 -1.606 0 C-N-CA 129.52 3.128 . . . . 0.0 116.906 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 57.8 m -53.6 126.56 22.18 Favored 'General case' 1 C--O 1.311 4.33 1 O-C-N 129.388 4.18 . . . . 0.0 114.597 173.132 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 46.5 mtt180 -148.11 153.86 39.42 Favored 'General case' 0 C--N 1.37 1.469 0 CA-C-O 125.977 2.798 . . . . 0.0 105.116 -172.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.428 ' CD1' ' HG3' ' A' ' 27' ' ' MET . 55.3 m-85 -129.97 161.09 31.7 Favored 'General case' 0 N--CA 1.434 -1.275 0 CA-C-N 113.163 -1.835 . . . . 0.0 113.992 -155.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -140.25 146.47 38.65 Favored 'General case' 0 C--O 1.25 1.099 0 O-C-N 125.228 1.58 . . . . 0.0 112.721 -171.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.507 ' C ' ' HD2' ' A' ' 101' ' ' ARG . 7.1 m-20 -97.99 141.21 31.23 Favored 'General case' 0 CA--C 1.469 -2.141 0 CA-C-O 125.777 2.703 . . . . 0.0 110.39 -172.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.507 ' HD2' ' C ' ' A' ' 100' ' ' ASP . 2.7 mpt_? -144.72 73.86 15.08 Favored Pre-proline 0 N--CA 1.494 1.769 0 CA-C-N 111.213 -2.722 . . . . 0.0 113.663 175.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -57.32 159.08 16.69 Favored 'Trans proline' 0 CA--C 1.544 1.015 0 C-N-CA 124.016 3.144 . . . . 0.0 118.608 171.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -178.89 175.57 47.42 Favored Glycine 1 CA--C 1.61 5.971 0 N-CA-C 117.987 1.955 . . . . 0.0 117.987 172.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 78' ' ' VAL . 31.3 ttt180 -122.27 111.92 17.51 Favored 'General case' 0 C--O 1.281 2.721 0 O-C-N 126.978 2.222 . . . . 0.0 113.923 178.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 86.8 mtm-85 -158.13 163.63 37.41 Favored 'General case' 0 C--O 1.247 0.973 0 CA-C-O 116.219 -1.848 . . . . 0.0 114.736 -172.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -67.77 176.58 2.44 Favored 'General case' 0 CA--C 1.573 1.835 0 C-N-CA 125.943 1.697 . . . . 0.0 106.838 165.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -160.46 170.5 20.85 Favored 'General case' 0 N--CA 1.512 2.634 0 O-C-N 124.279 0.987 . . . . 0.0 109.261 -173.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 74.7 t -147.99 130.69 7.43 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.427 0 O-C-N 125.447 1.717 . . . . 0.0 106.742 -163.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.2 m -142.1 169.81 13.03 Favored 'Isoleucine or valine' 0 C--O 1.258 1.529 0 C-N-CA 126.192 1.797 . . . . 0.0 111.751 -172.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -126.81 145.12 50.75 Favored 'General case' 0 C--O 1.27 2.164 0 C-N-CA 127.723 2.409 . . . . 0.0 113.035 165.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 50.9 m -133.88 159.03 41.92 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 128.84 3.837 . . . . 0.0 119.519 -167.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -130.87 158.29 40.59 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 112.606 -2.088 . . . . 0.0 113.511 -175.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -75.56 149.91 38.22 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-O 115.853 -2.023 . . . . 0.0 108.301 178.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -45.29 136.67 5.13 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 119.673 3.212 . . . . 0.0 119.673 175.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -69.63 131.85 89.5 Favored Pre-proline 0 C--N 1.267 -3.016 0 O-C-N 124.496 1.123 . . . . 0.0 108.09 175.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -67.65 -8.23 21.72 Favored 'Trans proline' 0 N--CA 1.41 -3.411 0 N-CA-C 117.919 2.238 . . . . 0.0 117.919 175.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -133.51 10.35 4.04 Favored 'General case' 0 N--CA 1.507 2.392 0 C-N-CA 128.429 2.692 . . . . 0.0 112.63 -174.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -146.75 140.4 25.84 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 128.684 2.794 . . . . 0.0 116.933 172.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.0 m 46.86 59.09 16.66 Favored Pre-proline 0 N--CA 1.495 1.778 0 N-CA-C 118.432 2.753 . . . . 0.0 118.432 168.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -29.3 -22.19 0.0 OUTLIER 'Trans proline' 0 CA--C 1.564 2.015 1 N-CA-C 126.858 5.676 . . . . 0.0 126.858 170.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -73.86 -24.94 59.81 Favored 'General case' 0 C--O 1.199 -1.564 0 C-N-CA 126.799 2.04 . . . . 0.0 109.454 -161.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -120.1 102.82 45.84 Favored Pre-proline 0 CA--C 1.559 1.32 0 CA-C-O 116.633 -1.651 . . . . 0.0 111.961 -166.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . 0.251 36.0 Cg_exo -49.02 -25.91 9.57 Favored 'Trans proline' 0 N--CA 1.438 -1.737 1 C-N-CA 125.307 4.005 . . . . 0.0 118.817 174.427 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.7 m -147.84 153.51 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.714 1 N-CA-C 99.488 -4.264 . . . . 0.0 99.488 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 18.3 m -138.77 143.01 35.9 Favored Pre-proline 0 CA--C 1.59 2.51 0 C-N-CA 129.958 3.303 . . . . 0.0 106.989 -175.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.487 ' HD2' ' CZ ' ' A' ' 48' ' ' PHE . 88.9 Cg_endo -79.93 142.57 15.74 Favored 'Trans proline' 0 N--CA 1.426 -2.455 0 C-N-CA 123.216 2.611 . . . . 0.0 111.846 176.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 31.2 m -124.38 -12.08 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.221 0 N-CA-C 119.223 3.046 . . . . 0.0 119.223 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -164.4 152.45 12.4 Favored 'General case' 0 N--CA 1.509 2.508 0 C-N-CA 125.501 1.52 . . . . 0.0 111.467 -171.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 66.6 tp -120.51 131.5 54.74 Favored 'General case' 0 N--CA 1.505 2.286 0 C-N-CA 127.842 2.457 . . . . 0.0 112.466 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -97.57 -50.45 4.49 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 14.9 t -172.74 161.16 4.68 Favored 'General case' 0 C--O 1.248 1.009 0 CA-C-O 123.738 1.732 . . . . 0.0 108.51 -164.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.436 HG21 HD22 ' A' ' 80' ' ' LEU . 77.3 p -128.66 129.83 46.38 Favored 'General case' 0 N--CA 1.522 3.13 0 N-CA-C 101.514 -3.513 . . . . 0.0 101.514 175.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 112.931 -3.414 . . . . 0.0 115.426 -173.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 203' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 . . . . . 0 CA--C 1.57 1.725 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -45.6 138.13 11.19 Favored 'Trans proline' 0 CA--C 1.549 1.235 0 N-CA-C 118.729 2.55 . . . . 0.0 118.729 156.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -52.47 -11.6 1.29 Allowed 'Trans proline' 0 C--N 1.392 2.855 0 O-C-N 127.764 3.507 . . . . 0.0 119.414 -176.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -141.35 -6.39 1.05 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 118.128 2.64 . . . . 0.0 118.128 174.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -128.15 164.64 22.04 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 120.864 -1.148 . . . . 0.0 112.959 -172.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 59.7 p -73.42 160.06 32.34 Favored 'General case' 1 N--CA 1.555 4.812 0 O-C-N 117.479 -3.263 . . . . 0.0 103.678 157.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -59.4 -28.56 67.02 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-O 115.211 -2.328 . . . . 0.0 113.12 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.47 -32.18 24.15 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 126.21 2.194 . . . . 0.0 113.104 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.17 -44.2 95.22 Favored 'General case' 0 C--O 1.274 2.349 0 O-C-N 118.952 -2.343 . . . . 0.0 108.018 168.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -60.02 -39.91 87.49 Favored 'General case' 0 C--O 1.18 -2.56 0 N-CA-C 119.474 3.139 . . . . 0.0 119.474 168.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -53.71 -46.35 70.73 Favored 'General case' 0 C--O 1.253 1.258 0 CA-C-O 127.297 3.427 . . . . 0.0 112.762 164.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.47 -36.28 63.31 Favored 'General case' 0 CA--C 1.566 1.564 0 O-C-N 117.183 -3.448 . . . . 0.0 112.085 -168.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.7 mt -68.94 -35.26 68.35 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.091 0 C-N-CA 118.121 -1.431 . . . . 0.0 112.162 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -67.01 -26.22 66.67 Favored 'General case' 0 CA--C 1.57 1.715 0 CA-C-O 114.694 -2.574 . . . . 0.0 114.348 174.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -150.8 -7.59 0.27 Allowed 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 117.659 2.466 . . . . 0.0 117.659 -161.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.401 HD12 HG21 ' A' ' 51' ' ' VAL . 32.0 mm -119.1 110.37 29.57 Favored 'Isoleucine or valine' 0 C--O 1.259 1.564 0 O-C-N 118.008 -2.932 . . . . 0.0 107.567 -174.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.2 m -150.86 124.08 8.84 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 120.146 -1.596 . . . . 0.0 112.601 155.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.6 tp -42.17 -36.49 1.2 Allowed 'General case' 0 C--N 1.385 2.152 0 N-CA-C 118.712 2.856 . . . . 0.0 118.712 169.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -142.25 80.53 14.87 Favored Pre-proline 0 C--O 1.188 -2.147 0 O-C-N 126.027 2.08 . . . . 0.0 111.483 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.45 170.58 19.6 Favored 'Trans proline' 0 CA--C 1.565 2.062 0 O-C-N 123.22 1.116 . . . . 0.0 112.209 -174.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -86.42 171.6 7.41 Favored 'Trans proline' 0 CA--C 1.567 2.153 0 C-N-CA 122.383 2.055 . . . . 0.0 110.513 176.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -49.93 138.32 15.44 Favored 'General case' 0 C--N 1.295 -1.803 0 CA-C-O 116.862 -1.542 . . . . 0.0 114.168 161.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 64.3 m -56.31 -29.41 61.2 Favored 'General case' 0 N--CA 1.527 3.406 0 O-C-N 125.846 1.966 . . . . 0.0 115.339 -169.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.8 p -45.1 -30.92 1.21 Allowed 'General case' 1 N--CA 1.539 4.022 0 N-CA-C 119.786 3.254 . . . . 0.0 119.786 166.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 30.8 mm -97.06 -45.81 12.78 Favored 'Isoleucine or valine' 1 C--O 1.142 -4.603 0 CA-C-O 126.622 3.106 . . . . 0.0 109.368 177.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.87 -41.55 58.15 Favored 'General case' 0 C--N 1.393 2.474 0 O-C-N 116.901 -3.624 . . . . 0.0 113.098 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 79.9 mmm -66.67 -18.44 65.37 Favored 'General case' 0 CA--C 1.572 1.812 1 CA-C-N 126.327 4.148 . . . . 0.0 110.702 -173.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -71.97 -29.58 64.4 Favored 'General case' 0 C--O 1.243 0.761 0 O-C-N 119.394 -2.066 . . . . 0.0 110.116 -163.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.3 -11.47 6.57 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 117.539 2.422 . . . . 0.0 117.539 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.8 pt -130.35 -36.73 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.261 0 C-N-CA 127.39 2.276 . . . . 0.0 112.182 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -73.23 -24.43 60.49 Favored 'General case' 0 C--N 1.379 1.871 0 O-C-N 118.362 -2.711 . . . . 0.0 111.776 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -97.3 14.34 26.41 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 126.487 1.915 . . . . 0.0 111.39 173.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -139.27 -6.17 1.4 Allowed 'General case' 1 N--CA 1.553 4.719 0 O-C-N 119.599 -1.938 . . . . 0.0 111.217 -168.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -140.15 168.2 20.36 Favored 'General case' 0 CA--C 1.591 2.552 0 O-C-N 119.344 -2.097 . . . . 0.0 108.667 -176.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.1 p-90 -55.02 -23.64 20.6 Favored 'General case' 0 CA--C 1.568 1.656 0 N-CA-C 116.454 2.02 . . . . 0.0 116.454 -167.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . 0.316 88.3 mtt180 -152.33 -179.7 7.78 Favored 'General case' 0 C--O 1.27 2.165 1 O-C-N 115.813 -4.304 . . . . 0.0 111.377 179.036 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 59.0 m -79.99 130.99 35.71 Favored 'General case' 0 CA--C 1.559 1.312 0 O-C-N 118.626 -2.547 . . . . 0.0 107.832 173.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -75.33 142.29 43.22 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 117.628 -3.17 . . . . 0.0 105.846 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -64.21 -54.46 33.21 Favored 'General case' 0 C--O 1.184 -2.38 0 CA-C-N 114.111 -1.404 . . . . 0.0 112.376 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -138.48 143.54 39.64 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 126.408 2.318 . . . . 0.0 111.428 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -141.77 172.74 12.28 Favored 'General case' 0 CA--C 1.492 -1.263 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 167.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . 0.301 1.6 m -139.78 145.21 37.92 Favored 'General case' 0 C--O 1.275 2.415 0 C-N-CA 128.45 2.7 . . . . 0.0 111.421 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -140.41 133.69 29.74 Favored 'General case' 0 C--O 1.28 2.683 0 CA-C-O 123.943 1.83 . . . . 0.0 113.555 166.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.5 mt -100.01 139.82 35.11 Favored 'General case' 0 C--N 1.378 1.838 0 O-C-N 117.105 -3.497 . . . . 0.0 109.465 -168.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -85.97 61.98 7.17 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 126.468 1.907 . . . . 0.0 107.827 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.8 t -152.67 161.0 43.15 Favored 'General case' 0 C--O 1.193 -1.892 0 CA-C-O 114.369 -2.729 . . . . 0.0 110.055 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.3 p -110.87 160.48 16.73 Favored 'General case' 0 N--CA 1.509 2.5 0 CA-C-O 127.939 3.733 . . . . 0.0 110.337 -163.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -61.83 -29.88 70.46 Favored 'General case' 0 C--O 1.261 1.685 0 O-C-N 118.19 -2.819 . . . . 0.0 112.629 -164.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.16 -25.68 59.87 Favored 'General case' 0 N--CA 1.434 -1.238 0 C-N-CA 126.119 1.768 . . . . 0.0 108.123 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -89.29 -20.29 24.27 Favored 'General case' 0 CA--C 1.557 1.25 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.401 HG21 HD12 ' A' ' 16' ' ' ILE . 59.8 t -82.25 -40.77 17.45 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.825 0 N-CA-C 104.024 -2.584 . . . . 0.0 104.024 175.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 25.3 t -57.37 -29.51 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 120.923 -1.111 . . . . 0.0 110.943 172.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -69.23 -26.02 64.6 Favored 'General case' 0 N--CA 1.508 2.466 0 O-C-N 120.096 -1.627 . . . . 0.0 113.795 170.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.2 t -78.41 -37.91 22.18 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 O-C-N 124.703 1.252 . . . . 0.0 112.787 168.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 63.1 m -59.54 5.17 0.03 OUTLIER 'General case' 0 CA--C 1.586 2.359 0 CA-C-O 125.407 2.527 . . . . 0.0 116.91 158.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -123.61 38.36 2.47 Favored Glycine 0 N--CA 1.476 1.314 0 N-CA-C 121.143 3.217 . . . . 0.0 121.143 161.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.262 44.6 t-20 -113.99 179.75 3.87 Favored 'General case' 0 N--CA 1.513 2.697 0 C-N-CA 117.295 -1.762 . . . . 0.0 107.739 169.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -56.74 148.34 20.63 Favored 'General case' 0 C--N 1.382 2.017 0 O-C-N 120.332 -1.48 . . . . 0.0 113.231 -178.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.6 m -79.84 117.37 20.66 Favored 'General case' 0 N--CA 1.405 -2.689 0 C-N-CA 127.582 2.353 . . . . 0.0 109.611 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 19.5 pt -119.0 176.32 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 130.655 3.582 . . . . 0.0 113.205 171.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.5 ptt-85 -107.48 149.36 28.05 Favored 'General case' 0 N--CA 1.51 2.571 1 O-C-N 116.278 -4.014 . . . . 0.0 113.263 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 92.3 m -144.29 150.12 47.2 Favored Pre-proline 0 CA--C 1.566 1.576 0 CA-C-N 120.016 1.28 . . . . 0.0 112.356 176.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -56.39 -24.02 49.88 Favored 'Trans proline' 0 C--O 1.216 -0.601 1 C-N-CA 127.617 5.545 . . . . 0.0 114.36 -161.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -122.84 37.56 4.38 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 -169.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -147.13 -8.66 0.45 Allowed 'General case' 0 C--N 1.369 1.441 0 O-C-N 119.92 -1.737 . . . . 0.0 112.499 -152.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 46.6 ptt85 -49.63 -19.96 0.7 Allowed 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 120.896 3.665 . . . . 0.0 120.896 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.3 p -58.07 -46.44 85.44 Favored 'General case' 0 C--N 1.286 -2.189 0 CA-C-N 122.257 2.299 . . . . 0.0 110.124 168.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -104.52 -17.97 14.53 Favored 'General case' 0 CA--C 1.563 1.446 0 CA-C-N 119.501 1.046 . . . . 0.0 110.435 176.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.2 t30 43.83 42.25 4.34 Favored 'General case' 0 C--N 1.392 2.451 0 C-N-CA 126.489 1.915 . . . . 0.0 115.592 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -141.78 103.82 4.42 Favored 'General case' 0 C--N 1.283 -2.303 0 O-C-N 126.502 2.377 . . . . 0.0 113.387 -173.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 24.7 p -125.74 175.36 7.67 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 118.79 -2.444 . . . . 0.0 109.401 174.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -145.84 162.51 37.54 Favored 'General case' 0 C--O 1.277 2.533 0 CA-C-O 115.758 -2.068 . . . . 0.0 112.66 175.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -119.63 153.14 35.97 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 126.648 1.979 . . . . 0.0 111.272 177.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.462 ' HB3' ' CE2' ' A' ' 107' ' ' TYR . 93.6 p -62.46 152.06 35.52 Favored 'General case' 0 C--O 1.26 1.654 0 C-N-CA 125.851 1.66 . . . . 0.0 114.358 175.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 66.1 mtt-85 -71.53 -9.17 57.79 Favored 'General case' 0 N--CA 1.525 3.29 0 N-CA-C 104.175 -2.528 . . . . 0.0 104.175 -175.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.449 ' HA ' ' CE2' ' A' ' 106' ' ' PHE . 0.3 OUTLIER -174.65 168.05 3.75 Favored 'General case' 0 N--CA 1.51 2.546 0 N-CA-C 115.525 1.676 . . . . 0.0 115.525 -155.857 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 64.5 mtm180 -74.33 145.75 43.64 Favored 'General case' 0 C--O 1.186 -2.242 0 O-C-N 118.727 -2.483 . . . . 0.0 112.31 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.7 m -121.21 141.57 33.3 Favored Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 118.041 -2.912 . . . . 0.0 114.557 164.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -67.83 134.61 32.85 Favored 'Trans proline' 0 C--O 1.282 2.712 0 CA-C-O 126.982 2.826 . . . . 0.0 109.698 159.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.1 pp -130.28 160.75 32.98 Favored 'General case' 0 CA--C 1.584 2.267 0 CA-C-N 111.168 -2.742 . . . . 0.0 114.381 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 tp -116.72 107.47 14.7 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 168.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -86.33 136.97 32.94 Favored 'General case' 0 CA--C 1.566 1.578 0 O-C-N 118.651 -2.53 . . . . 0.0 114.073 172.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 87.2 m -124.0 136.38 54.25 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 124.383 1.052 . . . . 0.0 110.995 -175.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -135.5 111.0 9.14 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 127.792 3.182 . . . . 0.0 111.152 -157.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.402 ' CD1' ' HB3' ' A' ' 96' ' ' CYS . 25.9 tp -75.73 86.63 2.76 Favored 'General case' 0 CA--C 1.574 1.869 0 C-N-CA 130.016 3.327 . . . . 0.0 106.839 173.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.307 13.4 pt -56.33 -0.26 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.516 2.825 0 C-N-CA 130.492 3.517 . . . . 0.0 119.069 -172.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -140.01 129.12 13.49 Favored Pre-proline 0 CA--C 1.612 3.36 0 N-CA-C 116.944 2.202 . . . . 0.0 116.944 -165.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -89.96 16.91 1.62 Allowed 'Trans proline' 0 CA--C 1.572 2.422 0 CA-C-O 115.313 -2.036 . . . . 0.0 115.406 -175.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -125.31 -13.47 3.52 Favored Glycine 0 C--O 1.19 -2.609 0 N-CA-C 108.713 -1.755 . . . . 0.0 108.713 173.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . 0.268 . . -57.99 143.43 43.19 Favored 'General case' 0 C--N 1.4 2.787 0 CA-C-N 119.796 1.798 . . . . 0.0 111.662 170.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -144.85 -23.3 0.51 Allowed 'General case' 0 C--N 1.305 -1.336 0 O-C-N 119.577 -1.952 . . . . 0.0 115.832 174.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -136.8 153.83 50.7 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 116.826 2.158 . . . . 0.0 116.826 174.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 27.7 pt -55.92 -21.01 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.623 0 C-N-CA 130.346 3.458 . . . . 0.0 114.497 -174.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.1 p -66.09 12.58 0.06 Allowed 'General case' 0 N--CA 1.496 1.828 0 CA-C-O 115.436 -2.221 . . . . 0.0 112.548 159.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -161.92 -39.48 0.04 OUTLIER 'General case' 0 C--N 1.281 -2.41 0 CA-C-N 123.032 2.651 . . . . 0.0 113.377 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.402 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 11.8 m -36.75 97.93 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 130.428 3.491 . . . . 0.0 113.266 165.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -83.18 163.93 20.49 Favored 'General case' 0 N--CA 1.528 3.461 0 C-N-CA 129.024 2.93 . . . . 0.0 108.261 162.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -144.18 151.87 40.1 Favored 'General case' 0 C--N 1.383 2.059 0 C-N-CA 125.592 1.557 . . . . 0.0 112.108 -169.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -135.6 143.95 45.87 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.907 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.64 143.69 49.68 Favored 'General case' 0 CA--C 1.58 2.131 0 C-N-CA 125.254 1.422 . . . . 0.0 111.956 175.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -137.65 89.58 15.36 Favored Pre-proline 0 CA--C 1.589 2.444 0 C-N-CA 127.668 2.387 . . . . 0.0 113.677 167.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -63.75 151.73 83.78 Favored 'Trans proline' 0 N--CA 1.491 1.367 1 C-N-CA 126.568 4.845 . . . . 0.0 110.538 174.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -163.73 174.81 39.95 Favored Glycine 0 N--CA 1.498 2.82 0 C-N-CA 130.652 3.977 . . . . 0.0 118.245 163.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -144.6 112.74 6.42 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 173.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 56.4 mtm-85 -148.49 176.03 10.65 Favored 'General case' 0 C--O 1.2 -1.511 0 C-N-CA 126.148 1.779 . . . . 0.0 112.783 -175.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.449 ' CE2' ' HA ' ' A' ' 76' ' ' PHE . 64.3 m-85 -85.61 175.42 8.78 Favored 'General case' 0 C--N 1.287 -2.111 0 O-C-N 118.115 -2.866 . . . . 0.0 110.295 164.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.462 ' CE2' ' HB3' ' A' ' 74' ' ' SER . 8.6 p90 -148.03 158.43 44.06 Favored 'General case' 0 C--O 1.285 2.95 0 O-C-N 125.64 1.837 . . . . 0.0 108.371 -173.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 23.2 t -132.25 126.15 55.36 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.053 0 O-C-N 127.083 2.74 . . . . 0.0 109.763 -170.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.7 m -127.75 176.67 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.059 0 N-CA-C 114.552 1.316 . . . . 0.0 114.552 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -136.66 151.65 49.53 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.256 -0.903 . . . . 0.0 110.088 169.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 22.2 m -134.13 -177.52 4.62 Favored 'General case' 0 C--O 1.273 2.333 0 C-N-CA 127.64 2.376 . . . . 0.0 114.223 -163.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -156.44 171.57 20.03 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 113.08 -1.873 . . . . 0.0 115.359 -175.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -73.33 142.54 47.08 Favored 'General case' 0 N--CA 1.517 2.895 0 C-N-CA 123.434 0.694 . . . . 0.0 110.78 173.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -45.13 148.84 0.54 Allowed 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 127.64 2.376 . . . . 0.0 115.883 173.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -67.98 137.9 92.4 Favored Pre-proline 0 C--O 1.258 1.543 0 N-CA-C 116.352 1.982 . . . . 0.0 116.352 169.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -69.21 -3.18 11.12 Favored 'Trans proline' 0 N--CA 1.404 -3.788 0 C-N-CA 122.332 2.021 . . . . 0.0 115.626 -172.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -145.75 10.78 1.22 Allowed 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 116.42 -1.753 . . . . 0.0 112.817 -172.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -135.59 129.02 32.26 Favored 'General case' 0 C--N 1.366 1.323 0 C-N-CA 125.82 1.648 . . . . 0.0 111.856 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 71.5 m 71.37 62.19 0.42 Allowed Pre-proline 0 N--CA 1.518 2.961 0 N-CA-C 121.083 3.735 . . . . 0.0 121.083 162.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -53.94 -12.83 3.77 Favored 'Trans proline' 0 CA--C 1.589 3.246 0 C-N-CA 124.55 3.5 . . . . 0.0 116.744 175.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -60.28 -23.51 64.21 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 116.761 -3.712 . . . . 0.0 116.878 178.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -138.37 128.66 15.16 Favored Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 118.89 -2.382 . . . . 0.0 114.087 -175.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.51 -27.1 23.32 Favored 'Trans proline' 0 C--N 1.372 1.801 0 C-N-CA 121.902 1.735 . . . . 0.0 115.606 -174.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 18.4 m -143.88 152.21 16.13 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.711 0 C-N-CA 128.417 2.687 . . . . 0.0 104.582 -178.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 3.2 m -133.15 147.17 64.1 Favored Pre-proline 0 C--O 1.271 2.214 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -72.58 149.76 49.95 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 O-C-N 124.499 1.789 . . . . 0.0 110.463 174.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 26.6 m -134.13 -12.67 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.453 0 N-CA-C 119.006 2.965 . . . . 0.0 119.006 175.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -151.37 160.17 43.9 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 125.613 1.565 . . . . 0.0 111.489 172.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 19.6 tp -126.28 107.84 10.71 Favored 'General case' 0 N--CA 1.506 2.331 0 C-N-CA 128.971 2.908 . . . . 0.0 107.573 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -82.86 -52.99 6.21 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 117.193 2.294 . . . . 0.0 117.193 -170.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.0 t -162.27 179.57 7.78 Favored 'General case' 0 CA--C 1.566 1.561 0 CA-C-N 112.887 -1.961 . . . . 0.0 113.839 -176.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 53.4 p -149.11 141.21 23.91 Favored 'General case' 0 C--O 1.253 1.284 1 C-N-CA 133.692 4.797 . . . . 0.0 111.08 -175.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.435 -1.223 1 C-N-CA 132.646 4.379 . . . . 0.0 118.849 -168.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 203' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.473 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 59.3 ttt180 . . . . . 0 CA--C 1.551 1.009 0 CA-C-O 119.576 -0.249 . . . . 0.0 110.622 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 1' ' ' ARG . 84.1 Cg_exo -54.89 149.89 39.96 Favored 'Trans proline' 0 N--CA 1.431 -2.182 0 C-N-CA 124.628 3.552 . . . . 0.0 111.328 -178.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -56.06 -6.62 1.34 Allowed 'Trans proline' 0 CA--C 1.546 1.108 2 C-N-CA 126.794 4.996 . . . . 0.0 123.142 -171.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -162.6 16.92 0.08 Allowed 'General case' 0 N--CA 1.428 -1.573 0 O-C-N 126.539 2.399 . . . . 0.0 113.598 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -145.25 -169.29 3.17 Favored 'General case' 0 C--N 1.391 2.379 0 CA-C-O 122.664 1.221 . . . . 0.0 109.015 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.0 p -90.87 165.98 13.32 Favored 'General case' 0 N--CA 1.507 2.421 0 C-N-CA 127.438 2.295 . . . . 0.0 114.438 148.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -50.75 -46.49 59.32 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 167.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.79 -47.69 83.99 Favored 'General case' 0 CA--C 1.581 2.148 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.253 -174.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -71.64 -32.04 67.5 Favored 'General case' 0 C--O 1.259 1.591 0 CA-C-N 112.851 -1.977 . . . . 0.0 110.345 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 48.2 t-105 -75.82 -35.13 60.1 Favored 'General case' 0 CA--C 1.474 -1.955 0 CA-C-N 122.513 2.415 . . . . 0.0 114.0 175.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -45.0 -65.11 0.57 Allowed 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 116.845 -1.55 . . . . 0.0 110.361 154.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.23 83.02 Favored 'General case' 0 N--CA 1.39 -3.448 0 C-N-CA 124.282 1.033 . . . . 0.0 111.086 -168.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.2 mt -57.04 -29.15 30.73 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.501 0 C-N-CA 125.845 1.658 . . . . 0.0 112.885 173.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -92.17 -22.48 19.82 Favored 'General case' 0 C--O 1.281 2.726 0 CA-C-O 115.241 -2.314 . . . . 0.0 112.323 -176.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -138.26 -22.95 1.02 Allowed 'General case' 0 CA--C 1.594 2.656 0 N-CA-C 119.193 3.034 . . . . 0.0 119.193 -169.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . 0.372 49.8 mm -120.53 80.66 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.582 2.208 0 CA-C-N 120.521 1.509 . . . . 0.0 108.024 -159.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.2 m -130.15 112.87 13.81 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 125.254 1.422 . . . . 0.0 109.49 -170.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 tp -67.19 -26.24 66.53 Favored 'General case' 0 CA--C 1.571 1.755 0 CA-C-N 122.472 2.397 . . . . 0.0 117.128 -165.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -149.01 57.57 3.0 Favored Pre-proline 0 C--N 1.318 -0.786 0 O-C-N 118.792 -2.443 . . . . 0.0 116.298 177.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -56.71 169.84 1.61 Allowed 'Trans proline' 0 C--O 1.272 2.202 0 C-N-CA 122.916 2.411 . . . . 0.0 111.442 -170.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . 0.281 0.3 OUTLIER -71.96 179.53 4.77 Favored 'Trans proline' 0 CA--C 1.565 2.054 1 C-N-CA 130.171 7.247 . . . . 0.0 112.868 164.336 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -54.42 147.44 13.8 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 165.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.492 ' SG ' ' HA ' ' A' ' 100' ' ' ASP . 88.9 m -47.43 -30.69 3.51 Favored 'General case' 0 C--O 1.282 2.807 0 N-CA-C 119.493 3.146 . . . . 0.0 119.493 169.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 p -52.49 -46.17 66.47 Favored 'General case' 0 C--N 1.397 2.672 0 CA-C-N 119.745 1.157 . . . . 0.0 112.301 169.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.8 mm -83.79 -43.64 17.97 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.894 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 174.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.01 -32.68 74.52 Favored 'General case' 0 C--N 1.313 -0.992 0 O-C-N 118.478 -2.639 . . . . 0.0 117.824 -175.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 84.4 mmm -57.16 -29.71 63.85 Favored 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 163.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -61.79 -22.78 65.74 Favored 'General case' 0 C--N 1.376 1.749 0 CA-C-O 117.78 -1.105 . . . . 0.0 110.821 -177.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.67 -18.48 54.1 Favored 'General case' 0 N--CA 1.513 2.68 0 N-CA-C 115.018 1.488 . . . . 0.0 115.018 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.1 pt -127.63 -38.15 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 126.097 1.759 . . . . 0.0 111.016 175.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.274 48.7 m-20 -73.73 -20.49 60.5 Favored 'General case' 0 CA--C 1.493 -1.229 0 CA-C-O 115.372 -2.251 . . . . 0.0 111.68 -175.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -110.19 19.02 19.36 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 123.742 2.974 . . . . 0.0 109.647 172.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -120.53 -5.71 9.78 Favored 'General case' 0 C--O 1.272 2.263 0 C-N-CA 130.325 3.45 . . . . 0.0 115.943 169.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -134.41 162.99 30.7 Favored 'General case' 0 N--CA 1.511 2.61 0 C-N-CA 127.287 2.235 . . . . 0.0 112.855 175.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -57.39 -22.66 44.3 Favored 'General case' 1 C--O 1.308 4.157 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 -171.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -139.6 156.81 46.65 Favored 'General case' 0 C--O 1.259 1.592 0 C-N-CA 127.674 2.39 . . . . 0.0 113.497 -171.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.1 m -82.21 111.82 18.66 Favored 'General case' 0 C--N 1.362 1.139 0 CA-C-O 116.11 -1.9 . . . . 0.0 113.88 174.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.682 ' HG3' ' HN ' ' A' ' 203' ' ' SGN . 78.7 tttt -54.94 135.5 48.38 Favored 'General case' 0 CA--C 1.484 -1.584 0 C-N-CA 125.23 1.412 . . . . 0.0 111.428 171.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -76.67 -32.95 58.27 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 129.856 3.262 . . . . 0.0 112.483 -175.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.435 ' O ' ' HE2' ' A' ' 38' ' ' LYS . 88.7 mm-40 -145.36 143.72 30.29 Favored 'General case' 0 CA--C 1.573 1.862 0 N-CA-C 104.458 -2.423 . . . . 0.0 104.458 -173.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.412 ' ND2' ' CE1' ' A' ' 43' ' ' PHE . 15.5 t30 -155.64 161.24 40.83 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.183 -1.573 . . . . 0.0 109.273 168.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -136.62 137.72 40.41 Favored 'General case' 0 C--O 1.267 1.988 0 CA-C-N 112.515 -2.13 . . . . 0.0 112.16 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.412 ' CE1' ' ND2' ' A' ' 41' ' ' ASN . 14.9 m-85 -131.08 143.13 50.44 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 128.228 2.611 . . . . 0.0 107.613 -172.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mp -134.44 137.87 44.33 Favored 'General case' 0 C--N 1.401 2.821 0 C-N-CA 117.361 -1.735 . . . . 0.0 108.608 -165.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -96.36 42.51 1.09 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.346 1.458 . . . . 0.0 114.21 -174.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 t -106.01 167.39 9.83 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 129.957 3.303 . . . . 0.0 110.262 165.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.3 p -95.79 160.71 14.34 Favored 'General case' 0 CA--C 1.583 2.235 0 CA-C-N 121.867 2.121 . . . . 0.0 110.142 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -54.76 -52.95 60.96 Favored 'General case' 0 C--N 1.388 2.259 0 CA-C-N 114.876 -1.057 . . . . 0.0 113.061 -176.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.55 -29.06 67.65 Favored 'General case' 0 C--N 1.388 2.259 0 O-C-N 118.696 -2.503 . . . . 0.0 115.019 176.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -62.0 -38.91 90.37 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 120.892 1.678 . . . . 0.0 114.893 164.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.1 t -71.98 -34.84 52.06 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.018 0 CA-C-O 116.888 -1.53 . . . . 0.0 111.52 171.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.6 t -67.06 -35.14 73.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 CA-C-N 121.68 2.036 . . . . 0.0 110.137 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -66.83 -28.95 68.77 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-O 111.703 -3.999 . . . . 0.0 114.234 164.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.79 -37.37 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.322 0 CA-C-N 123.434 2.834 . . . . 0.0 114.947 163.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 35.3 m -50.09 -28.79 7.72 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 119.381 -2.074 . . . . 0.0 115.504 165.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.21 17.18 59.59 Favored Glycine 0 C--N 1.373 2.62 0 CA-C-O 114.418 -3.434 . . . . 0.0 116.576 170.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -84.54 166.41 17.23 Favored 'General case' 0 CA--C 1.593 2.604 0 CA-C-O 125.11 2.386 . . . . 0.0 108.552 167.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -44.67 147.8 0.57 Allowed 'General case' 0 CA--C 1.551 1.013 0 O-C-N 118.809 -2.432 . . . . 0.0 115.872 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.5 m -102.09 142.69 32.97 Favored 'General case' 0 C--O 1.273 2.294 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 -167.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.5 pt -150.65 -179.03 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.582 2.2 0 CA-C-N 113.237 -1.801 . . . . 0.0 109.791 -171.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.9 ptt-85 -115.99 152.68 33.04 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 126.926 2.09 . . . . 0.0 114.438 176.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 83.5 m -147.11 153.95 45.78 Favored Pre-proline 0 C--N 1.409 3.167 0 CA-C-O 124.22 1.962 . . . . 0.0 109.346 -171.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -74.04 -8.94 21.72 Favored 'Trans proline' 0 CA--C 1.591 3.356 0 O-C-N 116.965 -2.176 . . . . 0.0 117.726 -165.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -120.25 37.05 4.35 Favored 'General case' 0 C--O 1.265 1.882 0 O-C-N 126.581 2.425 . . . . 0.0 114.471 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -140.66 0.42 1.63 Allowed 'General case' 0 C--O 1.263 1.793 0 O-C-N 118.599 -2.563 . . . . 0.0 111.795 -152.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -57.03 -37.06 71.22 Favored 'General case' 0 CA--C 1.597 2.772 0 N-CA-C 117.668 2.47 . . . . 0.0 117.668 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.2 p -41.96 -30.0 0.25 Allowed 'General case' 0 C--O 1.176 -2.766 0 C-N-CA 127.824 2.45 . . . . 0.0 116.554 175.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -134.51 5.3 3.44 Favored 'General case' 0 N--CA 1.519 2.988 0 O-C-N 126.426 2.329 . . . . 0.0 115.563 168.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 31.44 52.92 0.2 Allowed 'General case' 0 N--CA 1.536 3.872 1 C-N-CA 131.749 4.02 . . . . 0.0 113.209 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -159.65 125.82 4.34 Favored 'General case' 0 CA--C 1.595 2.696 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 15.7 p -138.58 176.69 8.47 Favored 'General case' 0 CA--C 1.57 1.739 0 O-C-N 126.499 2.374 . . . . 0.0 112.704 169.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -155.33 163.43 40.13 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-O 116.589 -1.672 . . . . 0.0 112.48 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -130.62 151.49 51.02 Favored 'General case' 1 N--CA 1.54 4.067 0 C-N-CA 129.207 3.003 . . . . 0.0 116.009 170.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.9 p -64.65 154.05 37.64 Favored 'General case' 0 N--CA 1.432 -1.366 0 N-CA-C 116.733 2.123 . . . . 0.0 116.733 -173.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -76.25 -21.66 56.07 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 -169.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -150.58 178.55 8.97 Favored 'General case' 0 N--CA 1.416 -2.142 0 C-N-CA 128.787 2.835 . . . . 0.0 115.49 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -84.12 155.09 22.79 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-O 122.318 1.056 . . . . 0.0 109.86 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.8 m -149.95 148.4 24.97 Favored Pre-proline 0 CA--C 1.563 1.463 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 171.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -54.02 146.69 46.55 Favored 'Trans proline' 0 N--CA 1.498 1.789 0 O-C-N 118.748 -1.238 . . . . 0.0 111.865 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 pp -155.52 -171.91 3.95 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 125.41 1.484 . . . . 0.0 111.558 176.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 102' ' ' PRO . 47.5 tp -144.55 135.7 25.22 Favored 'General case' 0 CA--C 1.602 2.965 0 O-C-N 128.292 3.495 . . . . 0.0 108.98 -178.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -122.08 150.55 41.99 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 127.398 2.279 . . . . 0.0 109.296 169.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 62.9 m -129.19 153.42 47.75 Favored 'General case' 0 C--O 1.183 -2.441 0 CA-C-N 119.913 1.233 . . . . 0.0 111.671 -172.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -139.37 125.66 20.18 Favored 'General case' 0 CA--C 1.57 1.732 0 CA-C-O 125.735 2.683 . . . . 0.0 109.443 -175.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.0 tp -72.31 94.31 1.59 Allowed 'General case' 0 CA--C 1.595 2.699 0 C-N-CA 129.434 3.093 . . . . 0.0 107.064 172.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 28.6 pt -58.35 -25.42 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 CA-C-O 112.923 -3.417 . . . . 0.0 110.219 -161.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -125.1 104.54 29.36 Favored Pre-proline 0 N--CA 1.415 -2.196 0 CA-C-N 123.377 2.808 . . . . 0.0 111.495 -156.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . 0.284 94.8 Cg_exo -37.8 -39.23 0.78 Allowed 'Trans proline' 0 C--O 1.273 2.257 1 C-N-CA 128.021 5.814 . . . . 0.0 117.81 177.42 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -75.25 -29.36 60.39 Favored Glycine 1 CA--C 1.617 6.445 0 N-CA-C 119.258 2.463 . . . . 0.0 119.258 -177.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . 0.334 . . -74.15 130.96 40.79 Favored 'General case' 0 C--O 1.252 1.185 0 C-N-CA 125.386 1.474 . . . . 0.0 109.391 -171.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -138.08 -21.56 1.08 Allowed 'General case' 0 N--CA 1.51 2.528 0 CA-C-O 115.104 -2.379 . . . . 0.0 114.319 171.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -93.82 133.15 37.52 Favored 'General case' 0 CA--C 1.572 1.801 0 CA-C-O 124.839 2.257 . . . . 0.0 110.961 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.1 pt -41.58 -29.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.38 1.898 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 176.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 84.9 p -65.47 -24.56 67.19 Favored 'General case' 0 C--O 1.27 2.177 0 CA-C-N 121.115 1.779 . . . . 0.0 113.204 178.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -115.14 -37.18 4.17 Favored 'General case' 0 N--CA 1.517 2.899 0 N-CA-C 105.432 -2.062 . . . . 0.0 105.432 -160.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 74.4 m -53.28 136.13 37.34 Favored 'General case' 0 CA--C 1.62 3.652 0 CA-C-O 122.396 1.093 . . . . 0.0 112.73 -174.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -136.3 158.22 44.94 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 105.364 -2.087 . . . . 0.0 105.364 173.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -152.03 149.0 28.37 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 128.156 3.41 . . . . 0.0 113.471 -156.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -141.62 142.34 33.44 Favored 'General case' 0 N--CA 1.411 -2.406 0 C-N-CA 127.062 2.145 . . . . 0.0 114.466 -174.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.492 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 3.1 m-20 -84.13 158.56 21.33 Favored 'General case' 0 C--O 1.267 2.0 0 O-C-N 119.856 -1.777 . . . . 0.0 110.374 -172.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -145.41 82.86 9.4 Favored Pre-proline 0 CA--C 1.495 -1.137 0 C-N-CA 128.24 2.616 . . . . 0.0 108.598 162.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 81' ' ' LEU . 29.7 Cg_exo -58.95 179.6 0.19 Allowed 'Trans proline' 0 N--CA 1.5 1.885 1 C-N-CA 125.395 4.063 . . . . 0.0 110.582 174.787 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 161.86 -170.13 37.47 Favored Glycine 0 N--CA 1.515 3.951 0 CA-C-O 116.231 -2.427 . . . . 0.0 113.441 172.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 66.3 ttt-85 -146.57 123.05 11.05 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 121.029 2.415 . . . . 0.0 112.498 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -156.04 161.43 40.43 Favored 'General case' 0 N--CA 1.531 3.614 0 CA-C-N 124.878 3.49 . . . . 0.0 111.661 -166.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -66.3 162.76 19.45 Favored 'General case' 0 CA--C 1.569 1.687 0 CA-C-N 120.997 1.726 . . . . 0.0 107.639 162.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -139.45 156.9 46.66 Favored 'General case' 0 N--CA 1.399 -2.983 0 O-C-N 118.299 -2.751 . . . . 0.0 109.911 -173.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.6 t -120.98 135.3 61.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 -175.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.1 m -140.1 168.9 16.86 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.86 0 O-C-N 118.079 -2.888 . . . . 0.0 109.63 -166.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -131.87 146.51 52.16 Favored 'General case' 0 CA--C 1.588 2.43 0 O-C-N 120.751 -1.218 . . . . 0.0 109.822 159.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 24.3 m -133.91 163.22 30.0 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-O 125.381 2.515 . . . . 0.0 109.275 -176.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -143.9 167.9 21.22 Favored 'General case' 0 N--CA 1.424 -1.766 0 O-C-N 119.899 -1.751 . . . . 0.0 113.368 175.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -58.79 142.57 49.86 Favored 'General case' 0 C--N 1.278 -2.506 0 C-N-CA 127.87 2.468 . . . . 0.0 114.989 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . 0.305 11.0 ptm180 -35.44 121.78 0.6 Allowed 'General case' 0 C--N 1.304 -1.383 0 O-C-N 127.403 2.939 . . . . 0.0 113.162 171.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -49.14 130.69 16.18 Favored Pre-proline 0 C--N 1.307 -1.261 0 C-N-CA 129.903 3.281 . . . . 0.0 111.364 166.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . 0.324 55.1 Cg_endo -61.49 -10.24 15.7 Favored 'Trans proline' 0 C--O 1.187 -2.051 0 C-N-CA 123.585 2.857 . . . . 0.0 117.037 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 59.1 mtm180 -134.85 8.68 3.54 Favored 'General case' 0 CA--C 1.563 1.453 0 O-C-N 117.768 -3.083 . . . . 0.0 114.982 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . 0.277 33.3 t70 -139.22 156.05 47.36 Favored 'General case' 0 N--CA 1.513 2.699 0 N-CA-C 119.543 3.164 . . . . 0.0 119.543 177.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 38.0 m 33.81 58.87 1.89 Allowed Pre-proline 0 CA--C 1.563 1.445 0 C-N-CA 128.692 2.797 . . . . 0.0 117.795 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -49.47 -22.49 6.27 Favored 'Trans proline' 1 N--CA 1.575 6.321 0 CA-C-N 122.301 1.857 . . . . 0.0 111.7 174.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.466 ' NE ' ' HA ' ' A' ' 121' ' ' ARG 0.269 2.3 tpm_? -62.73 -17.86 61.58 Favored 'General case' 0 CA--C 1.559 1.321 0 C-N-CA 127.975 2.51 . . . . 0.0 112.796 177.529 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -125.72 92.28 46.76 Favored Pre-proline 0 C--N 1.287 -2.145 0 C-N-CA 129.046 2.939 . . . . 0.0 116.655 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . 0.285 71.8 Cg_endo -65.93 -19.92 58.06 Favored 'Trans proline' 0 CA--C 1.586 3.098 1 C-N-CA 126.148 4.566 . . . . 0.0 113.126 -169.83 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 1.5 m -136.34 151.82 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.715 0 CA-C-N 111.632 -2.531 . . . . 0.0 105.978 175.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 9.7 m -150.42 143.75 16.77 Favored Pre-proline 0 N--CA 1.394 -3.246 0 CA-C-O 115.183 -2.342 . . . . 0.0 113.382 -172.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -72.14 152.14 56.08 Favored 'Trans proline' 0 N--CA 1.425 -2.513 0 C-N-CA 124.001 3.134 . . . . 0.0 109.348 -174.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 26.7 m -128.46 -11.78 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.533 3.688 0 C-N-CA 125.408 1.483 . . . . 0.0 110.792 174.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -167.25 172.21 10.06 Favored 'General case' 0 CA--C 1.58 2.121 0 O-C-N 116.386 -3.946 . . . . 0.0 110.595 -167.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.7 tp -147.37 122.58 10.21 Favored 'General case' 0 C--O 1.208 -1.114 0 C-N-CA 129.457 3.103 . . . . 0.0 108.097 175.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -113.49 -26.75 8.16 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 119.531 3.16 . . . . 0.0 119.531 -167.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.5 t -174.37 176.63 2.38 Favored 'General case' 0 CA--C 1.495 -1.173 0 C-N-CA 126.666 1.987 . . . . 0.0 112.778 171.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 43.1 p -143.19 146.99 34.18 Favored 'General case' 0 CA--C 1.596 2.748 0 CA-C-O 114.502 -2.666 . . . . 0.0 113.971 174.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.254 1.332 0 CA-C-O 116.046 -1.931 . . . . 0.0 113.834 -168.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 203' ' ' SGN . . . . . 0.682 ' HN ' ' HG3' ' A' ' 38' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 33.0 ttt85 . . . . . 0 CA--C 1.506 -0.719 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -49.66 138.7 32.26 Favored 'Trans proline' 0 C--N 1.392 2.822 0 C-N-CA 121.549 1.499 . . . . 0.0 109.242 169.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.35 68.2 Cg_exo -36.35 -34.1 0.15 Allowed 'Trans proline' 0 N--CA 1.417 -2.99 0 C-N-CA 123.681 2.921 . . . . 0.0 119.167 175.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -143.17 15.96 1.89 Allowed 'General case' 0 C--O 1.187 -2.2 0 O-C-N 118.627 -2.546 . . . . 0.0 115.953 -173.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -139.26 166.27 24.99 Favored 'General case' 0 C--O 1.194 -1.848 0 CA-C-O 126.358 2.98 . . . . 0.0 110.659 -169.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.3 p -80.63 164.88 22.54 Favored 'General case' 0 C--N 1.407 3.085 1 O-C-N 116.262 -4.024 . . . . 0.0 109.152 148.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -62.27 -31.98 72.63 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 174.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.48 -28.44 31.18 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 119.958 -1.714 . . . . 0.0 111.588 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -63.62 -38.3 90.6 Favored 'General case' 0 C--N 1.385 2.116 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 160.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -60.26 -48.18 82.84 Favored 'General case' 0 CA--C 1.575 1.908 0 O-C-N 118.181 -2.824 . . . . 0.0 112.187 172.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -52.62 -41.63 63.87 Favored 'General case' 0 CA--C 1.561 1.374 0 CA-C-O 116.488 -1.72 . . . . 0.0 111.463 174.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.79 -49.06 64.41 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-O 114.367 -2.73 . . . . 0.0 104.743 -177.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.5 mt -59.82 -46.51 93.61 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 CA-C-O 126.287 2.946 . . . . 0.0 116.113 -161.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -65.9 -37.98 87.51 Favored 'General case' 0 N--CA 1.411 -2.395 0 CA-C-N 112.531 -2.122 . . . . 0.0 116.083 175.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -133.58 -4.93 2.91 Favored 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 119.595 3.184 . . . . 0.0 119.595 -156.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.6 mm -125.81 108.13 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 C-N-CA 124.911 1.284 . . . . 0.0 111.866 174.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.8 m -149.02 129.34 13.76 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.086 2.155 . . . . 0.0 109.41 172.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 tp -73.17 -41.4 63.92 Favored 'General case' 0 N--CA 1.504 2.248 0 C-N-CA 128.111 2.564 . . . . 0.0 113.559 -176.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.5 p-10 -140.84 52.37 3.05 Favored Pre-proline 0 CA--C 1.578 2.032 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -173.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -69.1 165.53 29.91 Favored 'Trans proline' 0 N--CA 1.503 2.076 0 C-N-CA 122.331 2.021 . . . . 0.0 113.815 -161.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -79.23 -177.8 4.15 Favored 'Trans proline' 0 C--O 1.257 1.461 0 C-N-CA 124.148 3.232 . . . . 0.0 107.858 167.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.1 mtt-85 -63.92 155.4 30.9 Favored 'General case' 1 N--CA 1.545 4.306 0 C-N-CA 125.245 1.418 . . . . 0.0 113.909 176.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 73.2 m -58.2 -32.3 68.15 Favored 'General case' 0 N--CA 1.428 -1.575 0 O-C-N 116.614 -3.803 . . . . 0.0 119.685 -176.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.5 p -40.76 -26.83 0.04 OUTLIER 'General case' 0 N--CA 1.505 2.28 0 N-CA-C 119.194 3.035 . . . . 0.0 119.194 159.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 23.4 mm -109.74 -47.74 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.303 0 CA-C-N 118.82 0.736 . . . . 0.0 110.275 170.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.56 -43.23 45.88 Favored 'General case' 0 CA--C 1.562 1.411 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -176.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 10.2 mmm -65.13 -22.3 66.91 Favored 'General case' 0 N--CA 1.509 2.519 0 O-C-N 121.66 -0.65 . . . . 0.0 110.155 -176.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -63.73 -22.53 66.95 Favored 'General case' 0 C--N 1.38 1.901 0 CA-C-O 117.605 -1.188 . . . . 0.0 112.6 -174.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.55 -27.26 64.39 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 176.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.441 ' H ' HD13 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -111.32 -25.31 3.57 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.303 0 N-CA-C 119.471 3.138 . . . . 0.0 119.471 160.249 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -83.0 -23.63 33.23 Favored 'General case' 0 CA--C 1.588 2.432 0 O-C-N 118.464 -2.647 . . . . 0.0 115.404 -174.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -100.92 22.74 11.67 Favored 'General case' 0 C--O 1.196 -1.743 0 CA-C-N 114.724 -1.125 . . . . 0.0 113.435 166.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -136.72 -59.57 0.71 Allowed 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 114.621 -2.609 . . . . 0.0 107.368 -169.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -65.02 163.27 15.04 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 122.27 2.305 . . . . 0.0 111.779 172.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -69.28 -7.86 40.77 Favored 'General case' 0 CA--C 1.579 2.086 0 C-N-CA 128.535 2.734 . . . . 0.0 113.024 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -147.96 146.31 28.92 Favored 'General case' 0 CA--C 1.596 2.749 0 C-N-CA 126.295 1.838 . . . . 0.0 110.653 -170.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 88.2 m -65.94 127.19 31.07 Favored 'General case' 0 N--CA 1.502 2.158 0 CA-C-O 124.698 2.19 . . . . 0.0 111.521 167.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -75.61 132.78 40.86 Favored 'General case' 0 N--CA 1.516 2.872 0 C-N-CA 127.575 2.35 . . . . 0.0 111.272 172.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -72.25 -53.79 11.48 Favored 'General case' 0 C--N 1.373 1.609 0 CA-C-N 112.836 -1.984 . . . . 0.0 108.232 -168.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -128.13 152.69 47.71 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-O 116.373 -1.775 . . . . 0.0 115.315 -175.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -157.61 155.51 30.26 Favored 'General case' 0 C--O 1.269 2.09 0 CA-C-N 125.13 3.604 . . . . 0.0 111.592 170.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.2 m -126.65 141.65 51.79 Favored 'General case' 0 N--CA 1.506 2.364 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -178.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.427 ' HE1' ' SG ' ' A' ' 83' ' ' CYS . 94.7 m-85 -133.77 125.55 28.75 Favored 'General case' 0 C--O 1.195 -1.795 0 CA-C-O 117.261 -1.352 . . . . 0.0 109.59 -172.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.1 mt -103.74 135.43 45.3 Favored 'General case' 0 N--CA 1.424 -1.727 0 CA-C-O 115.776 -2.059 . . . . 0.0 108.959 -166.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . 0.314 63.8 mtp180 -82.1 64.73 6.91 Favored 'General case' 0 N--CA 1.511 2.578 0 C-N-CA 128.898 2.879 . . . . 0.0 109.749 174.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.7 t -133.7 -165.63 1.66 Allowed 'General case' 0 C--N 1.371 1.514 0 C-N-CA 126.36 1.864 . . . . 0.0 109.771 170.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.6 p -140.44 145.52 37.09 Favored 'General case' 0 CA--C 1.607 3.172 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -51.13 -45.96 61.79 Favored 'General case' 0 CA--C 1.481 -1.703 0 CA-C-O 117.115 -1.422 . . . . 0.0 111.385 -175.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.8 1.08 1.45 Allowed 'General case' 0 N--CA 1.414 -2.273 0 O-C-N 125.973 2.046 . . . . 0.0 112.146 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -119.04 -6.93 10.44 Favored 'General case' 0 N--CA 1.431 -1.4 0 CA-C-O 124.797 2.237 . . . . 0.0 115.426 172.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.6 t -84.66 -28.07 6.81 Favored 'Isoleucine or valine' 0 C--N 1.388 2.272 0 C-N-CA 130.655 3.582 . . . . 0.0 111.732 169.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.2 t -55.96 -35.05 39.48 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.197 0 O-C-N 118.176 -2.828 . . . . 0.0 112.045 173.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -68.13 -25.11 65.12 Favored 'General case' 0 N--CA 1.507 2.409 0 O-C-N 127.811 3.194 . . . . 0.0 117.619 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.1 t -67.69 -30.92 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.382 0 O-C-N 117.226 -3.421 . . . . 0.0 114.94 174.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 72.6 m -65.79 -31.75 72.89 Favored 'General case' 0 C--O 1.208 -1.08 0 CA-C-O 115.619 -2.134 . . . . 0.0 106.088 175.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.02 -13.69 45.23 Favored Glycine 0 C--N 1.38 3.004 0 CA-C-O 127.006 3.559 . . . . 0.0 112.698 -168.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -55.07 173.06 0.1 Allowed 'General case' 0 C--N 1.301 -1.513 0 O-C-N 117.396 -3.414 . . . . 0.0 111.056 163.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -51.97 142.85 14.85 Favored 'General case' 0 N--CA 1.512 2.657 1 O-C-N 116.068 -4.145 . . . . 0.0 117.003 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.6 m -82.02 143.71 31.38 Favored 'General case' 0 N--CA 1.495 1.786 1 O-C-N 113.878 -5.514 . . . . 0.0 114.517 -178.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . 0.269 7.3 pt -137.06 -174.5 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.204 -1.333 0 C-N-CA 131.216 3.807 . . . . 0.0 109.966 177.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.2 ptt-85 -131.84 141.73 49.51 Favored 'General case' 0 N--CA 1.478 0.942 1 C-N-CA 131.711 4.004 . . . . 0.0 116.056 173.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 76.7 m -128.35 155.53 78.31 Favored Pre-proline 0 N--CA 1.392 -3.35 0 C-N-CA 128.893 2.877 . . . . 0.0 115.824 -174.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -91.29 18.19 1.27 Allowed 'Trans proline' 0 CA--C 1.547 1.128 0 O-C-N 124.902 2.001 . . . . 0.0 112.931 -162.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -140.08 39.75 1.95 Allowed 'General case' 0 N--CA 1.508 2.454 0 C-N-CA 124.877 1.271 . . . . 0.0 109.014 -177.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -154.15 12.42 0.42 Allowed 'General case' 0 N--CA 1.519 2.984 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -160.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -51.42 -18.58 1.08 Allowed 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 115.706 1.743 . . . . 0.0 115.706 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.9 p -56.12 -24.45 40.7 Favored 'General case' 0 N--CA 1.51 2.568 0 CA-C-O 125.31 2.481 . . . . 0.0 117.423 171.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -154.7 -10.67 0.13 Allowed 'General case' 0 C--O 1.245 0.863 0 O-C-N 119.772 -1.83 . . . . 0.0 114.468 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 58.8 t30 54.89 47.12 22.98 Favored 'General case' 0 CA--C 1.492 -1.276 0 O-C-N 118.843 -2.411 . . . . 0.0 116.135 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -155.66 120.95 4.86 Favored 'General case' 0 C--O 1.253 1.281 0 O-C-N 117.645 -3.159 . . . . 0.0 108.586 175.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 24.6 p -138.23 -175.61 4.17 Favored 'General case' 0 CA--C 1.621 3.704 0 C-N-CA 129.48 3.112 . . . . 0.0 105.723 174.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -157.45 172.97 17.62 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 125.573 1.549 . . . . 0.0 108.663 -170.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -149.28 157.2 43.15 Favored 'General case' 0 CA--C 1.57 1.715 0 O-C-N 118.245 -2.784 . . . . 0.0 115.483 178.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 27.6 p -70.64 153.52 42.77 Favored 'General case' 0 CA--C 1.49 -1.346 0 C-N-CA 126.019 1.727 . . . . 0.0 113.864 -171.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.9 mtt-85 -86.68 -13.25 46.0 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 118.93 -2.356 . . . . 0.0 111.606 -175.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -164.78 170.71 15.15 Favored 'General case' 0 CA--C 1.58 2.11 0 C-N-CA 126.383 1.873 . . . . 0.0 114.623 -170.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -88.44 143.7 26.83 Favored 'General case' 0 CA--C 1.498 -1.045 0 C-N-CA 125.322 1.449 . . . . 0.0 110.904 -169.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.9 m -127.88 144.99 53.39 Favored Pre-proline 0 N--CA 1.519 3.021 0 C-N-CA 130.055 3.342 . . . . 0.0 110.329 173.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -57.05 144.14 90.76 Favored 'Trans proline' 0 N--CA 1.441 -1.595 1 C-N-CA 126.353 4.702 . . . . 0.0 109.474 162.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -134.22 173.62 11.4 Favored 'General case' 0 C--O 1.272 2.264 1 C-N-CA 134.108 4.963 . . . . 0.0 113.457 175.773 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.8 tp -128.77 154.38 46.44 Favored 'General case' 0 N--CA 1.509 2.479 0 C-N-CA 125.787 1.635 . . . . 0.0 107.355 157.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -136.14 139.25 42.77 Favored 'General case' 0 C--O 1.257 1.493 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 167.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.427 ' SG ' ' HE1' ' A' ' 43' ' ' PHE . 69.3 m -109.5 148.73 30.7 Favored 'General case' 0 CA--C 1.491 -1.308 0 C-N-CA 125.792 1.637 . . . . 0.0 111.059 -173.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -144.94 88.88 1.92 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 127.0 2.12 . . . . 0.0 110.325 -159.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 17.7 tp -61.74 108.91 1.08 Allowed 'General case' 0 CA--C 1.577 2.001 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 177.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.5 pt -59.65 -9.83 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.581 2.146 0 N-CA-C 117.737 2.495 . . . . 0.0 117.737 -177.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -127.35 122.5 22.91 Favored Pre-proline 0 CA--C 1.592 2.585 0 O-C-N 119.246 -2.159 . . . . 0.0 110.52 -171.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -65.83 -13.69 41.03 Favored 'Trans proline' 0 C--O 1.196 -1.583 1 C-N-CA 125.45 4.1 . . . . 0.0 112.805 172.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -108.63 -25.55 5.68 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 126.208 1.861 . . . . 0.0 115.049 -167.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.02 128.16 34.79 Favored 'General case' 0 CA--C 1.573 1.863 0 C-N-CA 118.971 -1.092 . . . . 0.0 109.61 -174.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -138.82 -2.66 1.7 Allowed 'General case' 0 C--O 1.262 1.736 0 C-N-CA 125.183 1.393 . . . . 0.0 108.847 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -114.4 134.27 55.11 Favored 'General case' 0 C--O 1.284 2.905 0 N-CA-C 116.644 2.091 . . . . 0.0 116.644 164.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 37.2 pt -63.42 -10.44 6.59 Favored 'Isoleucine or valine' 0 C--O 1.273 2.316 0 C-N-CA 124.135 0.974 . . . . 0.0 112.178 -168.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.3 p -48.59 -31.09 6.08 Favored 'General case' 0 CA--C 1.467 -2.246 0 N-CA-C 117.561 2.43 . . . . 0.0 117.561 162.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -139.48 -20.64 0.93 Allowed 'General case' 0 CA--C 1.574 1.903 0 CA-C-O 116.457 -1.735 . . . . 0.0 113.291 -164.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 4.2 m -70.93 120.65 16.81 Favored 'General case' 0 C--O 1.27 2.15 0 O-C-N 125.518 1.761 . . . . 0.0 111.628 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.2 mtt-85 -128.04 165.22 20.73 Favored 'General case' 0 C--O 1.257 1.494 0 C-N-CA 126.805 2.042 . . . . 0.0 111.025 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -144.55 162.11 37.41 Favored 'General case' 0 CA--C 1.586 2.341 0 CA-C-O 123.882 1.801 . . . . 0.0 107.999 -156.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.04 157.9 36.74 Favored 'General case' 0 C--N 1.385 2.118 0 CA-C-N 112.016 -2.356 . . . . 0.0 116.072 163.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -112.8 106.61 14.98 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-O 126.467 3.032 . . . . 0.0 105.918 -163.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -103.8 88.56 1.91 Allowed Pre-proline 0 N--CA 1.534 3.768 0 O-C-N 117.559 -3.213 . . . . 0.0 113.226 172.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -46.99 173.37 0.03 OUTLIER 'Trans proline' 0 CA--C 1.586 3.123 0 C-N-CA 123.366 2.711 . . . . 0.0 116.575 165.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 177.58 -173.01 45.77 Favored Glycine 1 CA--C 1.581 4.159 0 O-C-N 120.066 -1.646 . . . . 0.0 112.125 156.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 56.7 ttt-85 -140.26 103.27 4.55 Favored 'General case' 0 C--N 1.4 2.784 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 -176.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 86.7 mtm-85 -151.43 150.08 30.01 Favored 'General case' 0 N--CA 1.509 2.524 0 N-CA-C 116.327 1.973 . . . . 0.0 116.327 -166.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -62.27 168.64 3.3 Favored 'General case' 0 N--CA 1.499 1.98 0 CA-C-N 112.871 -1.968 . . . . 0.0 109.244 169.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -151.15 154.45 36.93 Favored 'General case' 0 C--O 1.21 -1.0 0 O-C-N 120.399 -1.438 . . . . 0.0 112.893 -177.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.49 132.27 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.184 0 N-CA-C 105.793 -1.929 . . . . 0.0 105.793 -165.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.7 m -148.96 157.88 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 CA-C-O 124.542 2.115 . . . . 0.0 108.348 -164.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -123.47 162.76 22.21 Favored 'General case' 0 C--N 1.373 1.617 0 O-C-N 119.144 -2.223 . . . . 0.0 110.551 167.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 10.6 m -134.95 -179.66 5.75 Favored 'General case' 0 CA--C 1.587 2.402 0 CA-C-N 113.094 -1.867 . . . . 0.0 112.959 -162.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -144.13 164.12 31.59 Favored 'General case' 0 C--O 1.208 -1.127 0 C-N-CA 131.147 3.779 . . . . 0.0 113.454 -176.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -62.11 146.94 49.04 Favored 'General case' 0 C--O 1.262 1.711 0 C-N-CA 125.287 1.435 . . . . 0.0 107.435 169.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -45.06 141.67 2.2 Favored 'General case' 0 N--CA 1.503 2.197 0 CA-C-N 122.199 2.272 . . . . 0.0 112.723 163.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -63.68 152.66 85.74 Favored Pre-proline 0 C--O 1.263 1.779 0 C-N-CA 125.512 1.525 . . . . 0.0 110.696 -171.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -47.97 -27.1 8.3 Favored 'Trans proline' 0 CA--C 1.559 1.766 0 C-N-CA 124.007 3.138 . . . . 0.0 116.118 168.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 61.3 mtm180 -147.97 -32.61 0.26 Allowed 'General case' 0 N--CA 1.531 3.617 0 N-CA-C 119.397 3.11 . . . . 0.0 119.397 168.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -65.02 159.49 23.02 Favored 'General case' 0 N--CA 1.514 2.754 0 CA-C-N 121.869 2.122 . . . . 0.0 116.201 -177.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 48.9 m 40.63 49.91 3.46 Favored Pre-proline 0 C--N 1.369 1.437 0 N-CA-C 118.877 2.917 . . . . 0.0 118.877 170.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -73.14 -10.84 24.79 Favored 'Trans proline' 0 C--N 1.321 -0.919 0 N-CA-C 118.827 2.587 . . . . 0.0 118.827 -169.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -42.47 -28.99 0.25 Allowed 'General case' 0 CA--C 1.475 -1.922 0 CA-C-O 114.727 -2.558 . . . . 0.0 112.742 158.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -124.08 134.62 25.56 Favored Pre-proline 0 N--CA 1.516 2.857 0 CA-C-N 124.05 3.114 . . . . 0.0 112.535 -174.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -73.74 -11.72 24.07 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 O-C-N 127.874 3.565 . . . . 0.0 115.939 -176.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.2 m -141.94 163.42 19.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.771 1 C-N-CA 132.544 4.338 . . . . 0.0 109.041 -174.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 10.0 m -136.56 147.95 61.78 Favored Pre-proline 0 N--CA 1.509 2.519 0 CA-C-O 116.7 -1.619 . . . . 0.0 113.814 156.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -84.44 135.75 6.22 Favored 'Trans proline' 0 CA--C 1.573 2.435 1 C-N-CA 125.559 4.173 . . . . 0.0 108.31 168.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 18.0 m -146.03 6.37 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.265 1.903 1 O-C-N 129.146 4.029 . . . . 0.0 118.57 -163.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -163.26 136.95 5.84 Favored 'General case' 0 CA--C 1.569 1.693 1 O-C-N 115.013 -4.805 . . . . 0.0 109.141 172.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 57.8 tp -84.59 140.56 31.3 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 128.453 2.701 . . . . 0.0 112.078 169.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . 0.267 23.0 t70 -113.83 -54.48 2.6 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 176.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 14.1 t -165.22 175.68 9.06 Favored 'General case' 0 CA--C 1.593 2.632 0 O-C-N 123.973 0.796 . . . . 0.0 110.62 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 49.6 p -131.8 146.93 52.42 Favored 'General case' 0 CA--C 1.58 2.133 0 C-N-CA 126.772 2.029 . . . . 0.0 109.712 163.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.518 2.929 0 N-CA-C 119.355 3.094 . . . . 0.0 119.355 -175.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 203' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 . . . . . 0 CA--C 1.551 1.012 0 CA-C-O 119.637 -0.22 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -42.87 145.78 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 125.079 2.094 . . . . 0.0 112.624 172.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -42.97 -11.22 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.384 1 C-N-CA 127.806 5.671 . . . . 0.0 119.764 -175.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -163.86 5.01 0.04 OUTLIER 'General case' 0 C--O 1.263 1.77 0 O-C-N 118.151 -2.843 . . . . 0.0 114.87 -174.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -147.4 164.21 34.04 Favored 'General case' 0 N--CA 1.504 2.239 0 CA-C-O 123.983 1.849 . . . . 0.0 109.172 178.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.7 p -67.56 167.25 13.29 Favored 'General case' 0 CA--C 1.571 1.775 0 O-C-N 120.234 -1.541 . . . . 0.0 110.23 164.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -78.01 -30.55 50.08 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 117.513 -3.242 . . . . 0.0 105.245 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.43 -42.56 78.28 Favored 'General case' 0 N--CA 1.42 -1.975 0 C-N-CA 127.194 2.198 . . . . 0.0 110.469 171.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -73.42 -44.14 58.97 Favored 'General case' 0 CA--C 1.586 2.328 0 C-N-CA 125.468 1.507 . . . . 0.0 109.851 176.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -69.87 -41.82 74.3 Favored 'General case' 0 N--CA 1.483 1.185 1 O-C-N 116.119 -4.113 . . . . 0.0 114.453 -173.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -53.05 -48.05 67.96 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-O 123.367 1.556 . . . . 0.0 112.842 168.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . 0.257 . . -58.42 -59.01 6.01 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-O 114.843 -2.503 . . . . 0.0 113.76 170.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.82 -16.01 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.279 0 CA-C-N 121.327 1.876 . . . . 0.0 112.407 -177.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -90.95 -14.16 32.1 Favored 'General case' 0 C--N 1.377 1.778 0 C-N-CA 115.958 -2.297 . . . . 0.0 113.163 174.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -169.05 -5.21 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.232 0 CA-C-N 124.832 3.469 . . . . 0.0 115.707 -145.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.424 HG23 HG23 ' A' ' 46' ' ' THR . 16.7 mm -127.72 99.51 5.3 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.842 0 CA-C-N 124.196 3.18 . . . . 0.0 110.877 -178.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -147.57 105.95 3.78 Favored 'General case' 0 C--O 1.208 -1.118 0 O-C-N 118.068 -2.895 . . . . 0.0 108.219 -170.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.1 tp -50.46 -42.06 53.82 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 129.385 3.074 . . . . 0.0 115.223 -174.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . 0.318 44.6 p-10 -147.85 54.64 1.93 Allowed Pre-proline 0 C--O 1.195 -1.816 0 CA-C-N 119.421 1.01 . . . . 0.0 108.36 -162.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -68.67 167.87 21.63 Favored 'Trans proline' 0 N--CA 1.506 2.255 1 C-N-CA 125.776 4.318 . . . . 0.0 114.576 -157.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -85.91 -166.07 0.31 Allowed 'Trans proline' 0 C--O 1.253 1.252 0 C-N-CA 122.626 2.217 . . . . 0.0 113.141 176.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.4 mtt-85 -68.1 147.72 51.94 Favored 'General case' 0 N--CA 1.417 -2.125 0 C-N-CA 124.759 1.224 . . . . 0.0 110.659 171.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 79.0 m -52.25 -23.06 5.07 Favored 'General case' 0 N--CA 1.507 2.41 0 N-CA-C 119.284 3.068 . . . . 0.0 119.284 168.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.5 p -50.4 -37.81 39.58 Favored 'General case' 0 C--N 1.307 -1.247 0 C-N-CA 125.637 1.575 . . . . 0.0 113.144 163.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.6 mm -99.73 -53.57 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.295 0 N-CA-C 105.67 -1.974 . . . . 0.0 105.67 -172.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . 0.269 . . -66.71 -33.73 76.29 Favored 'General case' 0 CA--C 1.602 2.947 0 C-N-CA 124.543 1.137 . . . . 0.0 113.552 -169.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.7 mmm -71.06 -14.54 62.36 Favored 'General case' 0 N--CA 1.533 3.702 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 176.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -58.08 -34.05 69.74 Favored 'General case' 0 N--CA 1.507 2.42 0 N-CA-C 105.789 -1.93 . . . . 0.0 105.789 177.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.294 . . -57.15 -15.1 4.84 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 126.165 1.786 . . . . 0.0 114.506 -173.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.75 -30.16 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 CA-C-N 120.994 1.724 . . . . 0.0 108.549 167.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -86.46 -22.01 26.72 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-O 126.418 3.009 . . . . 0.0 117.208 -168.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -88.48 -7.75 56.02 Favored 'General case' 0 CA--C 1.581 2.146 0 O-C-N 116.681 -3.762 . . . . 0.0 108.509 171.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -111.57 -19.12 12.64 Favored 'General case' 0 N--CA 1.527 3.397 0 C-N-CA 130.28 3.432 . . . . 0.0 115.335 -169.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -118.21 153.16 34.34 Favored 'General case' 0 C--O 1.252 1.237 0 CA-C-O 124.591 2.139 . . . . 0.0 113.266 170.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -65.06 -3.38 3.56 Favored 'General case' 0 N--CA 1.51 2.544 0 N-CA-C 120.005 3.335 . . . . 0.0 120.005 -170.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -145.98 168.28 21.25 Favored 'General case' 0 C--N 1.368 1.405 0 CA-C-O 125.483 2.563 . . . . 0.0 111.479 158.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 76.9 m -61.9 112.7 2.42 Favored 'General case' 0 N--CA 1.511 2.611 0 O-C-N 117.496 -3.253 . . . . 0.0 112.55 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -62.15 122.28 15.19 Favored 'General case' 0 CA--C 1.597 2.782 0 CA-C-O 114.971 -2.442 . . . . 0.0 112.424 165.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -55.59 -32.6 63.2 Favored 'General case' 0 N--CA 1.414 -2.268 0 N-CA-C 118.652 2.834 . . . . 0.0 118.652 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -147.09 154.17 40.82 Favored 'General case' 0 C--N 1.381 1.944 0 N-CA-C 117.154 2.279 . . . . 0.0 117.154 171.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -163.43 170.95 16.67 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 118.624 -1.231 . . . . 0.0 112.331 164.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 75.9 m -136.59 151.63 49.57 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-O 122.748 1.261 . . . . 0.0 110.273 -173.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -132.44 119.93 21.3 Favored 'General case' 0 CA--C 1.488 -1.442 0 CA-C-N 109.837 -3.347 . . . . 0.0 111.771 -178.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.4 mt -95.52 124.9 39.77 Favored 'General case' 0 C--O 1.197 -1.666 0 N-CA-C 105.444 -2.058 . . . . 0.0 105.444 -167.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -76.96 74.31 3.55 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-O 117.384 -1.293 . . . . 0.0 110.301 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.424 HG23 HG23 ' A' ' 16' ' ' ILE . 14.1 t -149.2 -173.53 4.4 Favored 'General case' 0 N--CA 1.515 2.798 0 C-N-CA 128.515 2.726 . . . . 0.0 111.478 -175.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 34.5 p -137.07 133.29 35.25 Favored 'General case' 0 C--O 1.272 2.238 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -49.92 -36.31 27.11 Favored 'General case' 0 C--O 1.248 0.997 0 O-C-N 118.017 -2.927 . . . . 0.0 115.741 -162.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.4 -27.32 62.28 Favored 'General case' 0 N--CA 1.537 3.908 0 CA-C-O 115.487 -2.197 . . . . 0.0 116.291 174.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -62.32 -43.57 98.51 Favored 'General case' 0 N--CA 1.404 -2.728 0 O-C-N 126.935 2.647 . . . . 0.0 111.016 166.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.2 t -61.36 -32.42 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.537 3.913 0 CA-C-O 116.86 -1.543 . . . . 0.0 110.28 174.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.7 t -69.24 -35.11 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.808 0 CA-C-O 113.523 -3.132 . . . . 0.0 114.86 169.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -63.32 -30.71 71.79 Favored 'General case' 0 C--O 1.191 -2.023 0 C-N-CA 115.059 -2.657 . . . . 0.0 111.8 167.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 32.5 t -67.28 -27.94 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.593 0 O-C-N 119.365 -2.084 . . . . 0.0 111.153 175.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . 0.286 28.5 m -61.41 -8.45 4.07 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 127.373 2.269 . . . . 0.0 113.681 165.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -112.17 -20.11 6.85 Favored Glycine 0 CA--C 1.459 -3.412 0 CA-C-O 116.851 -2.083 . . . . 0.0 116.855 165.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -52.14 163.65 0.36 Allowed 'General case' 0 CA--C 1.59 2.514 0 CA-C-N 120.147 1.973 . . . . 0.0 114.034 165.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -57.66 158.46 6.08 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 -160.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 74.1 m -89.29 131.33 35.43 Favored 'General case' 0 CA--C 1.575 1.913 0 CA-C-O 123.345 1.545 . . . . 0.0 107.674 -176.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.9 pt -133.78 177.4 7.09 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.774 0 C-N-CA 130.326 3.45 . . . . 0.0 109.03 172.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -122.61 142.6 50.46 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 119.002 -2.311 . . . . 0.0 111.789 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 89.9 m -131.07 147.27 65.61 Favored Pre-proline 0 CA--C 1.561 1.369 0 N-CA-C 108.174 -1.046 . . . . 0.0 108.174 -164.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -67.39 -2.24 7.89 Favored 'Trans proline' 0 C--N 1.299 -2.046 1 C-N-CA 128.566 6.177 . . . . 0.0 117.038 -171.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -135.6 34.54 2.95 Favored 'General case' 0 C--O 1.294 3.414 0 C-N-CA 126.285 1.834 . . . . 0.0 109.879 -169.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.276 9.4 t-20 -131.97 16.3 4.69 Favored 'General case' 0 C--O 1.277 2.531 0 CA-C-O 115.354 -2.26 . . . . 0.0 114.562 -156.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 -51.77 -11.54 0.15 Allowed 'General case' 0 N--CA 1.497 1.905 0 C-N-CA 128.021 2.528 . . . . 0.0 114.921 175.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.5 p -72.75 -22.95 60.78 Favored 'General case' 0 C--O 1.244 0.779 0 O-C-N 125.24 1.587 . . . . 0.0 109.696 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -155.54 -20.56 0.11 Allowed 'General case' 0 CA--C 1.575 1.929 0 N-CA-C 119.634 3.198 . . . . 0.0 119.634 -178.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.353 11.6 t-20 76.72 10.58 2.72 Favored 'General case' 1 N--CA 1.561 5.116 0 CA-C-N 113.784 -1.553 . . . . 0.0 115.121 177.972 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -131.62 145.48 51.71 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 125.963 1.705 . . . . 0.0 107.309 -177.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . 0.268 22.8 p -151.23 -179.34 7.26 Favored 'General case' 0 C--O 1.202 -1.438 1 C-N-CA 132.714 4.406 . . . . 0.0 107.657 170.942 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -150.89 165.8 32.53 Favored 'General case' 0 CA--C 1.588 2.411 1 CA-C-N 105.816 -5.175 . . . . 0.0 115.036 -177.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -145.85 145.36 30.72 Favored 'General case' 0 N--CA 1.531 3.577 0 C-N-CA 130.257 3.423 . . . . 0.0 112.206 -174.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.2 p -57.09 140.28 49.78 Favored 'General case' 1 C--N 1.237 -4.31 0 C-N-CA 126.111 1.765 . . . . 0.0 112.798 -175.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -52.69 -40.27 62.76 Favored 'General case' 0 CA--C 1.557 1.248 0 O-C-N 128.658 3.724 . . . . 0.0 113.94 168.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -139.63 159.46 42.11 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.191 -1.568 . . . . 0.0 109.754 -174.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 73.6 mtm180 -65.51 161.43 20.14 Favored 'General case' 0 N--CA 1.426 -1.662 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 173.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.3 m -133.46 145.14 55.2 Favored Pre-proline 0 C--N 1.359 0.993 0 CA-C-N 114.237 -1.347 . . . . 0.0 114.483 161.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -40.25 153.55 0.06 OUTLIER 'Trans proline' 0 C--O 1.205 -1.134 0 O-C-N 115.919 -2.727 . . . . 0.0 111.042 153.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.74 179.07 9.56 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 117.332 2.345 . . . . 0.0 117.332 171.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.8 tp -134.18 104.64 6.28 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 124.313 1.045 . . . . 0.0 112.267 178.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -75.44 154.01 37.31 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 117.174 -1.393 . . . . 0.0 112.147 163.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 60.5 m -142.83 147.61 35.71 Favored 'General case' 0 CA--C 1.475 -1.929 0 C-N-CA 125.096 1.359 . . . . 0.0 109.452 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -156.64 123.52 5.18 Favored 'General case' 0 C--N 1.315 -0.904 0 O-C-N 125.108 1.505 . . . . 0.0 110.532 -153.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.9 tp -73.59 103.47 4.21 Favored 'General case' 0 CA--C 1.578 2.042 0 O-C-N 127.872 3.233 . . . . 0.0 111.023 177.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.366 32.1 pt -74.04 32.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.266 1.968 0 C-N-CA 128.381 2.672 . . . . 0.0 112.493 174.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -148.02 106.39 3.65 Favored Pre-proline 0 C--O 1.256 1.402 0 CA-C-O 115.13 -2.367 . . . . 0.0 111.031 169.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -77.2 19.81 0.69 Allowed 'Trans proline' 0 CA--C 1.561 1.875 0 O-C-N 125.486 2.308 . . . . 0.0 115.631 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -136.14 -13.13 1.05 Allowed Glycine 0 N--CA 1.418 -2.515 1 CA-C-O 111.308 -5.162 . . . . 0.0 112.327 164.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.14 149.03 29.23 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 123.246 3.523 . . . . 0.0 112.588 170.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -143.84 -8.37 0.72 Allowed 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 175.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -122.61 137.51 54.87 Favored 'General case' 0 N--CA 1.499 2.0 0 C-N-CA 130.101 3.361 . . . . 0.0 110.31 -174.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 38.0 pt -63.72 -18.79 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.329 0 O-C-N 116.394 -3.941 . . . . 0.0 113.185 -171.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 64.5 p -56.29 -18.08 9.55 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 118.025 2.602 . . . . 0.0 118.025 160.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -132.52 -13.14 3.01 Favored 'General case' 0 C--N 1.382 2.015 0 N-CA-C 116.307 1.966 . . . . 0.0 116.307 -177.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 72.4 m -74.15 108.16 6.78 Favored 'General case' 0 CA--C 1.565 1.545 0 CA-C-N 111.642 -2.526 . . . . 0.0 109.808 178.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -117.81 146.65 43.7 Favored 'General case' 0 C--O 1.193 -1.87 0 CA-C-N 112.97 -1.923 . . . . 0.0 109.082 -179.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -128.68 162.11 28.12 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 119.392 -2.067 . . . . 0.0 109.052 -163.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -129.17 139.44 51.9 Favored 'General case' 0 C--O 1.248 0.993 0 C-N-CA 127.247 2.219 . . . . 0.0 108.463 169.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . 0.294 1.6 m-20 -66.1 111.66 3.5 Favored 'General case' 0 C--N 1.288 -2.067 0 C-N-CA 129.58 3.152 . . . . 0.0 110.78 158.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -109.27 99.95 38.76 Favored Pre-proline 0 CA--C 1.558 1.276 0 C-N-CA 127.074 2.15 . . . . 0.0 107.788 162.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -71.88 171.9 15.64 Favored 'Trans proline' 0 C--O 1.292 3.203 1 C-N-CA 125.47 4.113 . . . . 0.0 113.819 176.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -175.96 -173.08 41.33 Favored Glycine 0 N--CA 1.512 3.755 1 C-N-CA 130.87 4.081 . . . . 0.0 114.79 174.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -157.67 115.25 3.04 Favored 'General case' 0 C--N 1.403 2.907 0 CA-C-O 113.451 -3.166 . . . . 0.0 106.595 175.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 85.5 mtm-85 -150.2 148.39 28.86 Favored 'General case' 0 CA--C 1.569 1.708 1 O-C-N 131.406 5.441 . . . . 0.0 107.074 -168.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -65.48 164.67 13.49 Favored 'General case' 0 N--CA 1.502 2.168 0 C-N-CA 124.91 1.284 . . . . 0.0 108.415 156.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -151.67 151.63 31.72 Favored 'General case' 0 N--CA 1.52 3.049 0 O-C-N 120.037 -1.664 . . . . 0.0 112.118 -170.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 39.6 t -128.22 125.38 64.17 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.286 0 O-C-N 125.013 1.446 . . . . 0.0 110.476 -160.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.6 m -132.64 170.5 19.84 Favored 'Isoleucine or valine' 0 C--O 1.275 2.423 0 O-C-N 120.862 -1.149 . . . . 0.0 108.315 -171.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -122.08 159.42 27.14 Favored 'General case' 0 N--CA 1.512 2.639 0 CA-C-O 122.664 1.221 . . . . 0.0 109.071 159.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 22.4 m -134.84 151.91 51.31 Favored 'General case' 0 N--CA 1.436 -1.145 0 O-C-N 119.457 -2.027 . . . . 0.0 112.304 -173.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -118.26 170.49 8.85 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 120.873 -1.142 . . . . 0.0 112.432 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -57.98 144.71 38.56 Favored 'General case' 0 N--CA 1.401 -2.884 0 C-N-CA 128.256 2.622 . . . . 0.0 111.337 167.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -39.83 150.25 0.05 Allowed 'General case' 0 N--CA 1.52 3.074 0 CA-C-N 113.557 -1.656 . . . . 0.0 114.447 170.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -72.35 143.62 85.81 Favored Pre-proline 0 N--CA 1.524 3.241 0 CA-C-O 114.852 -2.499 . . . . 0.0 108.019 175.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -47.05 -28.3 7.19 Favored 'Trans proline' 0 N--CA 1.428 -2.341 0 C-N-CA 124.702 3.601 . . . . 0.0 113.237 175.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 34.7 mtm105 -133.47 -37.88 0.94 Allowed 'General case' 0 N--CA 1.513 2.692 0 O-C-N 119.522 -1.986 . . . . 0.0 111.135 -166.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.6 158.81 15.29 Favored 'General case' 0 CA--C 1.574 1.873 0 CA-C-O 124.752 2.215 . . . . 0.0 106.674 -161.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.9 m 42.46 67.62 3.31 Favored Pre-proline 0 C--O 1.293 3.361 0 N-CA-C 116.632 2.086 . . . . 0.0 116.632 175.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -76.16 -2.96 13.23 Favored 'Trans proline' 0 CA--C 1.58 2.79 0 N-CA-C 119.195 2.729 . . . . 0.0 119.195 -169.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . 0.288 23.7 ttm180 -73.6 -14.37 61.17 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.01 -1.681 . . . . 0.0 114.575 174.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 11.0 m-30 -114.63 132.17 23.02 Favored Pre-proline 0 N--CA 1.42 -1.954 0 C-N-CA 127.337 2.255 . . . . 0.0 106.97 -173.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -85.78 -30.58 0.42 Allowed 'Trans proline' 0 N--CA 1.417 -3.003 0 C-N-CA 124.809 3.673 . . . . 0.0 112.645 166.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.44 145.3 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 CA-C-O 116.491 -1.719 . . . . 0.0 107.799 175.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 19.4 m -133.92 149.15 70.94 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 127.789 3.181 . . . . 0.0 118.261 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -79.41 144.53 18.08 Favored 'Trans proline' 0 C--O 1.28 2.625 0 C-N-CA 124.413 3.409 . . . . 0.0 108.156 -171.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 16.1 m -138.08 -32.18 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.268 2.079 0 C-N-CA 126.754 2.022 . . . . 0.0 114.453 -165.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -144.04 162.53 35.98 Favored 'General case' 0 C--N 1.294 -1.82 0 C-N-CA 125.47 1.508 . . . . 0.0 109.762 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 19.9 tp -137.02 130.58 31.61 Favored 'General case' 0 C--O 1.196 -1.735 0 CA-C-O 112.039 -3.838 . . . . 0.0 106.87 -176.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.75 -46.15 3.16 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 123.001 2.637 . . . . 0.0 114.606 -170.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.0 t -148.06 171.01 16.52 Favored 'General case' 0 CA--C 1.598 2.79 0 O-C-N 124.548 1.155 . . . . 0.0 109.006 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 33.5 p -137.03 138.86 40.93 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 103.181 -2.896 . . . . 0.0 103.181 167.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.502 2.171 0 C-N-CA 125.104 1.362 . . . . 0.0 114.516 -173.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 203' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.406 ' HA ' ' HD2' ' A' ' 2' ' ' PRO . 41.2 ttt85 . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 1' ' ' ARG . 33.6 Cg_endo -59.04 164.82 9.58 Favored 'Trans proline' 0 CA--C 1.592 3.411 0 O-C-N 125.329 2.226 . . . . 0.0 112.577 -175.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 0.0 OUTLIER -47.89 -44.25 27.71 Favored 'Trans proline' 0 N--CA 1.503 2.055 0 C-N-CA 125.167 3.912 . . . . 0.0 116.873 -144.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -131.22 14.6 5.12 Favored 'General case' 0 CA--C 1.567 1.633 0 CA-C-O 113.019 -3.372 . . . . 0.0 117.784 175.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -139.95 163.8 31.69 Favored 'General case' 0 C--N 1.308 -1.232 1 O-C-N 129.3 4.125 . . . . 0.0 110.485 -165.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 0.265 3.0 p -75.41 152.5 38.0 Favored 'General case' 0 N--CA 1.533 3.705 0 O-C-N 119.438 -2.039 . . . . 0.0 112.763 153.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -58.87 -37.01 75.57 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 117.333 -1.318 . . . . 0.0 113.214 -175.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . 0.298 . . -54.27 -53.78 49.01 Favored 'General case' 0 C--N 1.365 1.242 0 O-C-N 126.958 2.661 . . . . 0.0 115.216 166.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -56.81 -58.02 9.94 Favored 'General case' 0 CA--C 1.444 -3.113 0 CA-C-O 124.391 2.043 . . . . 0.0 114.725 175.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.268 4.8 t-105 -46.37 -28.42 1.34 Allowed 'General case' 0 C--N 1.416 3.464 0 O-C-N 118.174 -2.829 . . . . 0.0 115.398 168.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.429 ' CE2' ' HB2' ' A' ' 126' ' ' PRO . 35.9 t80 -76.19 -36.72 58.54 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 126.372 1.869 . . . . 0.0 110.561 175.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.06 -34.32 24.25 Favored 'General case' 0 N--CA 1.416 -2.131 0 O-C-N 125.66 1.85 . . . . 0.0 109.749 -170.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.5 mt -60.1 -38.46 77.02 Favored 'Isoleucine or valine' 0 C--N 1.359 1.004 0 C-N-CA 127.468 2.307 . . . . 0.0 114.65 170.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -85.95 -19.46 30.42 Favored 'General case' 0 CA--C 1.578 2.032 0 CA-C-O 115.13 -2.367 . . . . 0.0 109.634 -176.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -147.18 -14.21 0.41 Allowed 'General case' 0 CA--C 1.588 2.44 0 CA-C-N 124.319 3.236 . . . . 0.0 115.649 -164.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 46.2 mm -133.41 112.61 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 1 O-C-N 114.711 -4.993 . . . . 0.0 110.402 -163.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.8 m -155.57 108.75 2.74 Favored 'General case' 0 CA--C 1.475 -1.936 0 N-CA-C 101.861 -3.385 . . . . 0.0 101.861 -170.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.5 tp -41.35 -59.0 1.68 Allowed 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 122.202 2.273 . . . . 0.0 113.299 164.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -131.91 76.88 73.13 Favored Pre-proline 0 N--CA 1.489 1.494 1 O-C-N 129.578 4.299 . . . . 0.0 110.6 -175.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -59.43 156.88 33.7 Favored 'Trans proline' 0 C--N 1.379 2.179 1 C-N-CA 127.719 5.613 . . . . 0.0 112.62 176.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -77.73 172.57 15.5 Favored 'Trans proline' 0 C--N 1.352 0.717 0 CA-C-N 121.108 1.432 . . . . 0.0 113.598 156.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -41.42 136.03 1.87 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 126.903 2.627 . . . . 0.0 112.336 168.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 83.5 m -44.18 -35.7 2.34 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-O 113.902 -2.951 . . . . 0.0 112.314 174.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.6 p -52.63 -28.43 21.36 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 122.778 2.535 . . . . 0.0 112.069 172.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.5 mm -94.52 -43.97 13.27 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.143 0 C-N-CA 127.978 2.511 . . . . 0.0 112.673 178.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.81 -20.32 59.82 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 122.371 1.082 . . . . 0.0 113.399 -162.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 68.0 mmm -84.27 -19.13 34.36 Favored 'General case' 0 CA--C 1.499 -1.004 0 C-N-CA 125.78 1.632 . . . . 0.0 109.025 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -72.86 -20.12 61.17 Favored 'General case' 0 C--N 1.371 1.53 0 O-C-N 119.201 -2.187 . . . . 0.0 106.34 -176.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.53 -31.33 6.33 Favored 'General case' 0 C--O 1.201 -1.456 0 CA-C-O 117.523 -1.227 . . . . 0.0 113.228 165.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.3 pt -128.52 -39.47 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.225 0 CA-C-N 122.132 2.242 . . . . 0.0 112.578 -173.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.299 2.4 m-20 -63.91 -29.34 70.52 Favored 'General case' 0 N--CA 1.427 -1.593 0 O-C-N 118.549 -2.594 . . . . 0.0 117.116 171.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -108.83 45.65 1.02 Allowed 'General case' 0 C--O 1.203 -1.378 0 O-C-N 125.852 1.97 . . . . 0.0 108.712 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -156.25 -30.24 0.09 Allowed 'General case' 1 CA--C 1.632 4.132 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -91.0 161.92 14.94 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 128.533 2.733 . . . . 0.0 110.23 165.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 25.3 p-90 -66.37 -21.5 66.23 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 -172.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -145.97 175.95 10.06 Favored 'General case' 0 N--CA 1.528 3.459 0 CA-C-O 124.684 2.183 . . . . 0.0 107.798 176.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 38.9 m -85.75 125.93 33.6 Favored 'General case' 0 CA--C 1.565 1.553 0 CA-C-O 113.641 -3.076 . . . . 0.0 111.842 -168.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -64.09 127.79 32.98 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-N 122.242 2.292 . . . . 0.0 111.942 162.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -59.79 -51.63 68.91 Favored 'General case' 0 CA--C 1.585 2.308 0 C-N-CA 126.351 1.86 . . . . 0.0 111.934 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -134.46 151.07 50.92 Favored 'General case' 0 C--O 1.256 1.429 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.309 -173.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -148.35 171.04 16.64 Favored 'General case' 0 CA--C 1.591 2.556 0 O-C-N 124.782 1.301 . . . . 0.0 110.634 165.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.7 m -139.13 136.5 35.2 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 126.075 1.75 . . . . 0.0 113.927 168.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -114.77 131.16 56.88 Favored 'General case' 0 CA--C 1.58 2.113 0 N-CA-C 104.717 -2.327 . . . . 0.0 104.717 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.5 mt -87.32 131.28 34.31 Favored 'General case' 0 N--CA 1.504 2.23 0 C-N-CA 129.42 3.088 . . . . 0.0 109.129 170.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . 0.343 15.2 mtp180 -78.63 64.59 3.69 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 130.076 3.35 . . . . 0.0 113.145 173.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.347 12.9 t -147.88 179.49 7.68 Favored 'General case' 0 C--O 1.186 -2.26 0 C-N-CA 130.454 3.502 . . . . 0.0 115.468 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.0 p -109.51 146.93 33.78 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 128.828 2.851 . . . . 0.0 113.732 -175.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -57.64 -37.11 72.76 Favored 'General case' 0 C--N 1.384 2.073 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 -174.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.93 -29.16 64.92 Favored 'General case' 0 N--CA 1.398 -3.055 0 N-CA-C 116.535 2.05 . . . . 0.0 116.535 173.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -90.18 -23.5 21.29 Favored 'General case' 0 C--O 1.278 2.558 0 O-C-N 119.742 -1.849 . . . . 0.0 108.731 -175.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.7 t -71.5 -27.55 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.331 0 CA-C-N 122.19 2.268 . . . . 0.0 110.385 163.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.419 HG21 ' CD1' ' A' ' 122' ' ' TYR . 6.1 t -64.14 -23.56 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 O-C-N 116.713 -3.742 . . . . 0.0 116.269 164.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -65.55 -35.49 81.01 Favored 'General case' 0 N--CA 1.413 -2.312 0 CA-C-O 117.37 -1.3 . . . . 0.0 112.027 166.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 73' ' ' ARG . 65.0 t -79.63 -23.75 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.742 0 C-N-CA 127.476 2.31 . . . . 0.0 116.322 -172.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.6 m -55.74 -28.79 57.71 Favored 'General case' 0 N--CA 1.517 2.911 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 154.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.8 -5.24 57.65 Favored Glycine 0 C--O 1.25 1.142 0 O-C-N 127.841 3.213 . . . . 0.0 114.496 -173.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -83.77 147.46 27.59 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 130.542 3.537 . . . . 0.0 108.441 170.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -45.69 124.03 4.8 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 116.689 2.107 . . . . 0.0 116.689 -166.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 m -57.19 134.45 55.91 Favored 'General case' 0 C--O 1.255 1.346 0 O-C-N 119.329 -2.107 . . . . 0.0 116.267 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.2 pt -132.44 172.29 16.64 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.29 1 C-N-CA 131.958 4.103 . . . . 0.0 113.021 -178.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.65 144.14 26.96 Favored 'General case' 0 CA--C 1.483 -1.606 0 C-N-CA 128.701 2.8 . . . . 0.0 117.663 167.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 89.3 m -141.96 158.38 62.16 Favored Pre-proline 0 N--CA 1.509 2.504 0 CA-C-O 117.277 -1.344 . . . . 0.0 114.313 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -88.47 16.28 1.9 Allowed 'Trans proline' 0 C--N 1.367 1.502 0 N-CA-C 118.859 2.6 . . . . 0.0 118.859 -161.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -130.02 25.51 5.25 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 119.451 -2.031 . . . . 0.0 115.951 165.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -120.37 9.03 10.88 Favored 'General case' 0 N--CA 1.503 2.21 0 CA-C-N 115.167 -0.924 . . . . 0.0 113.149 -161.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 42.0 ptt85 -49.28 -31.93 9.92 Favored 'General case' 0 N--CA 1.428 -1.548 0 N-CA-C 117.978 2.584 . . . . 0.0 117.978 -176.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.76 -13.08 61.61 Favored 'General case' 0 N--CA 1.523 3.205 0 CA-C-N 121.6 2.0 . . . . 0.0 113.085 -175.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -127.29 -14.51 5.36 Favored 'General case' 0 C--O 1.194 -1.839 0 N-CA-C 118.297 2.702 . . . . 0.0 118.297 169.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 39.5 t30 54.88 36.86 27.59 Favored 'General case' 0 C--O 1.256 1.433 0 CA-C-N 120.191 1.36 . . . . 0.0 113.207 173.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -157.44 118.38 3.57 Favored 'General case' 0 C--N 1.36 1.051 0 CA-C-O 124.377 2.037 . . . . 0.0 109.197 -173.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 21.8 p -142.1 172.79 12.21 Favored 'General case' 0 C--O 1.251 1.144 0 O-C-N 120.345 -1.472 . . . . 0.0 108.831 177.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -137.85 163.02 32.45 Favored 'General case' 0 N--CA 1.401 -2.888 0 C-N-CA 127.327 2.251 . . . . 0.0 114.349 -177.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.433 ' O ' HG13 ' A' ' 54' ' ' VAL . 8.9 ptt180 -129.84 151.62 50.22 Favored 'General case' 0 C--O 1.183 -2.438 0 C-N-CA 129.514 3.125 . . . . 0.0 110.641 167.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.408 ' HB3' ' CD1' ' A' ' 107' ' ' TYR . 60.6 p -60.02 163.35 4.8 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 124.227 1.011 . . . . 0.0 112.868 174.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -92.33 -13.12 30.72 Favored 'General case' 0 C--N 1.362 1.13 1 O-C-N 116.142 -4.099 . . . . 0.0 112.574 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -156.05 174.48 15.3 Favored 'General case' 0 C--O 1.256 1.442 0 CA-C-O 127.996 3.76 . . . . 0.0 111.174 -179.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 74.1 mtm180 -72.43 154.5 40.85 Favored 'General case' 0 N--CA 1.513 2.68 0 O-C-N 117.141 -3.474 . . . . 0.0 108.953 175.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.6 m -137.71 154.32 74.72 Favored Pre-proline 0 C--N 1.364 1.209 0 N-CA-C 106.343 -1.725 . . . . 0.0 106.343 174.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -57.17 148.57 69.04 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 O-C-N 125.123 2.118 . . . . 0.0 116.987 149.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 pp -154.86 168.35 27.21 Favored 'General case' 0 C--O 1.273 2.297 0 CA-C-O 128.381 3.943 . . . . 0.0 108.42 -173.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 tp -140.07 117.36 11.31 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-O 126.65 3.119 . . . . 0.0 112.468 163.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 45.9 t60 -84.96 156.94 20.95 Favored 'General case' 0 C--N 1.379 1.891 0 O-C-N 117.86 -3.025 . . . . 0.0 110.111 164.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 95.6 m -137.33 144.98 42.85 Favored 'General case' 0 CA--C 1.589 2.448 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -144.7 143.22 30.61 Favored 'General case' 1 N--CA 1.539 4.002 0 O-C-N 125.282 1.613 . . . . 0.0 114.43 -165.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.1 tp -72.87 107.64 5.38 Favored 'General case' 0 C--O 1.258 1.517 0 O-C-N 123.917 0.761 . . . . 0.0 111.769 175.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 pt -80.29 -5.26 8.16 Favored 'Isoleucine or valine' 0 C--O 1.255 1.346 0 CA-C-N 119.755 1.161 . . . . 0.0 112.752 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -121.29 69.41 20.76 Favored Pre-proline 0 CA--C 1.557 1.249 0 O-C-N 117.509 -3.244 . . . . 0.0 114.59 173.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . 0.253 59.0 Cg_exo -42.89 -32.3 2.57 Favored 'Trans proline' 0 C--N 1.384 2.403 0 N-CA-C 120.629 3.28 . . . . 0.0 120.629 177.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -85.93 44.57 3.36 Favored Glycine 0 N--CA 1.488 2.122 0 CA-C-N 120.572 1.533 . . . . 0.0 111.935 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -144.32 155.36 43.78 Favored 'General case' 0 CA--C 1.561 1.398 0 O-C-N 120.347 -1.678 . . . . 0.0 111.052 175.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -148.03 -17.24 0.35 Allowed 'General case' 0 C--N 1.367 1.329 0 O-C-N 119.315 -2.116 . . . . 0.0 106.844 -175.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -104.59 137.39 42.49 Favored 'General case' 0 N--CA 1.438 -1.069 0 O-C-N 119.897 -1.752 . . . . 0.0 109.459 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.264 2.8 pp -54.57 -18.09 2.62 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.548 0 O-C-N 119.436 -2.04 . . . . 0.0 115.754 -177.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 85.7 p -61.28 -18.58 59.16 Favored 'General case' 0 C--O 1.213 -0.853 1 O-C-N 115.371 -4.581 . . . . 0.0 116.13 171.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -129.15 -10.05 4.76 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 117.557 -3.214 . . . . 0.0 119.298 170.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 76.6 m -59.5 122.91 15.21 Favored 'General case' 0 C--N 1.378 1.815 0 C-N-CA 126.465 1.906 . . . . 0.0 113.196 172.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -132.8 144.51 50.29 Favored 'General case' 0 N--CA 1.519 2.977 0 C-N-CA 131.11 3.764 . . . . 0.0 107.809 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -123.84 154.0 40.24 Favored 'General case' 1 CA--C 1.631 4.08 0 C-N-CA 129.479 3.112 . . . . 0.0 111.116 -170.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.81 166.26 24.01 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 117.776 -3.078 . . . . 0.0 109.395 165.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . 0.272 8.7 m-20 -83.35 129.25 34.98 Favored 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 129.379 3.072 . . . . 0.0 109.278 -170.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . 0.4 0.6 OUTLIER -125.05 57.75 16.91 Favored Pre-proline 0 CA--C 1.585 2.32 0 C-N-CA 127.319 2.247 . . . . 0.0 115.302 174.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -65.87 158.34 54.41 Favored 'Trans proline' 0 C--O 1.198 -1.494 1 C-N-CA 125.542 4.161 . . . . 0.0 112.687 -174.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 170.74 175.42 39.38 Favored Glycine 0 CA--C 1.575 3.825 0 CA-C-N 122.204 2.274 . . . . 0.0 112.208 -172.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -132.14 109.17 9.78 Favored 'General case' 1 CA--C 1.639 4.397 0 N-CA-C 116.52 2.045 . . . . 0.0 116.52 176.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 68.7 mtm-85 -137.91 170.62 15.73 Favored 'General case' 0 N--CA 1.526 3.326 0 C-N-CA 128.625 2.77 . . . . 0.0 114.859 -176.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -71.59 174.87 6.12 Favored 'General case' 0 C--O 1.194 -1.824 0 O-C-N 120.37 -1.456 . . . . 0.0 112.517 157.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.408 ' CD1' ' HB3' ' A' ' 74' ' ' SER . 25.0 p90 -150.04 155.72 40.4 Favored 'General case' 0 N--CA 1.412 -2.355 0 O-C-N 125.539 1.775 . . . . 0.0 114.631 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.51 ' O ' HD12 ' A' ' 129' ' ' LEU . 40.3 t -135.72 128.95 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.606 0 CA-C-N 113.99 -1.459 . . . . 0.0 110.635 -169.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 22.2 m -128.08 177.88 5.49 Favored 'Isoleucine or valine' 0 C--O 1.264 1.827 0 C-N-CA 131.285 3.834 . . . . 0.0 113.382 -172.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -134.01 151.36 51.41 Favored 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 126.341 1.857 . . . . 0.0 110.367 158.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 96.8 m -127.5 171.26 11.75 Favored 'General case' 0 CA--C 1.564 1.501 0 N-CA-C 117.238 2.31 . . . . 0.0 117.238 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -144.28 173.32 11.87 Favored 'General case' 0 CA--C 1.498 -1.02 0 C-N-CA 127.48 2.312 . . . . 0.0 114.138 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -56.08 166.29 0.82 Allowed 'General case' 0 CA--C 1.484 -1.584 0 CA-C-O 125.351 2.5 . . . . 0.0 113.05 160.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -54.9 153.81 5.88 Favored 'General case' 0 CA--C 1.562 1.416 0 O-C-N 118.343 -2.723 . . . . 0.0 113.376 169.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.49 146.43 89.67 Favored Pre-proline 0 N--CA 1.517 2.892 0 C-N-CA 127.584 2.354 . . . . 0.0 110.862 148.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -57.83 -33.11 96.51 Favored 'Trans proline' 0 N--CA 1.433 -2.068 0 C-N-CA 122.182 1.921 . . . . 0.0 114.634 -172.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -126.9 -24.5 3.48 Favored 'General case' 0 C--N 1.38 1.905 1 CA-C-O 110.471 -4.585 . . . . 0.0 113.075 -172.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -79.22 127.63 32.29 Favored 'General case' 0 CA--C 1.56 1.35 0 CA-C-N 125.19 3.632 . . . . 0.0 113.822 -174.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 67.7 m 51.17 70.92 1.71 Allowed Pre-proline 0 CA--C 1.572 1.808 0 N-CA-C 116.033 1.864 . . . . 0.0 116.033 172.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -51.99 -22.72 15.07 Favored 'Trans proline' 0 C--O 1.263 1.759 0 N-CA-C 120.262 3.139 . . . . 0.0 120.262 -178.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -51.79 -16.37 0.67 Allowed 'General case' 0 C--O 1.192 -1.946 0 N-CA-C 119.807 3.262 . . . . 0.0 119.807 166.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.419 ' CD1' HG21 ' A' ' 52' ' ' VAL . 23.2 m-85 -122.18 75.82 41.41 Favored Pre-proline 0 N--CA 1.409 -2.523 0 O-C-N 125.202 1.564 . . . . 0.0 110.241 -168.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -56.13 -22.78 41.39 Favored 'Trans proline' 0 C--O 1.253 1.25 1 C-N-CA 125.67 4.247 . . . . 0.0 114.769 177.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.8 m -129.43 161.11 39.56 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.518 0 C-N-CA 126.617 1.967 . . . . 0.0 107.473 167.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 17.8 m -151.46 143.48 16.13 Favored Pre-proline 0 CA--C 1.556 1.198 0 O-C-N 119.883 -1.761 . . . . 0.0 109.113 -176.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.429 ' HB2' ' CE2' ' A' ' 11' ' ' PHE . 66.3 Cg_endo -70.72 135.93 29.29 Favored 'Trans proline' 0 N--CA 1.418 -2.957 1 C-N-CA 126.764 4.976 . . . . 0.0 113.081 171.034 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . 0.264 27.6 m -122.19 -11.18 8.3 Favored 'Isoleucine or valine' 0 C--O 1.293 3.356 0 O-C-N 127.437 2.961 . . . . 0.0 113.733 -170.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -165.92 154.13 10.92 Favored 'General case' 0 C--N 1.399 2.735 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 108' ' ' VAL . 20.5 tp -127.45 144.56 51.04 Favored 'General case' 0 C--N 1.309 -1.166 0 C-N-CA 127.969 2.508 . . . . 0.0 110.849 166.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.475 ' H ' HD12 ' A' ' 129' ' ' LEU . 38.8 t70 -131.25 -27.77 1.97 Allowed 'General case' 0 C--N 1.291 -1.972 0 O-C-N 121.589 -0.694 . . . . 0.0 111.877 -159.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . 0.263 6.8 t -164.99 170.11 15.58 Favored 'General case' 0 C--O 1.26 1.644 1 C-N-CA 132.072 4.149 . . . . 0.0 110.114 179.514 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 73.4 p -143.63 125.54 15.23 Favored 'General case' 0 C--N 1.375 1.71 0 N-CA-C 105.151 -2.166 . . . . 0.0 105.151 170.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.369 1.44 0 N-CA-C 118.322 2.712 . . . . 0.0 118.322 -166.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 203' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 . . . . . 0 C--O 1.261 1.663 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo -58.59 159.66 19.58 Favored 'Trans proline' 0 CA--C 1.578 2.696 0 C-N-CA 124.621 3.547 . . . . 0.0 111.128 174.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.287 70.8 Cg_endo -66.1 -15.5 48.78 Favored 'Trans proline' 0 C--N 1.3 -2.004 0 C-N-CA 125.083 3.855 . . . . 0.0 118.489 -175.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.26 26.8 pt20 -154.14 16.58 0.48 Allowed 'General case' 0 N--CA 1.439 -0.989 0 CA-C-O 115.27 -2.3 . . . . 0.0 109.178 -165.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -153.29 169.32 23.36 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 119.158 3.021 . . . . 0.0 119.158 -176.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.8 p -61.7 155.35 22.91 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 150.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -49.75 -37.18 28.46 Favored 'General case' 0 CA--C 1.562 1.429 0 O-C-N 119.358 -2.089 . . . . 0.0 114.522 148.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.9 -37.22 62.15 Favored 'General case' 0 N--CA 1.499 2.015 0 CA-C-N 121.198 1.817 . . . . 0.0 114.704 -174.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -64.1 -37.06 86.08 Favored 'General case' 0 CA--C 1.577 1.991 0 O-C-N 120.133 -1.604 . . . . 0.0 111.074 171.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -77.37 -28.84 53.04 Favored 'General case' 0 C--N 1.358 0.978 0 C-N-CA 123.063 0.545 . . . . 0.0 111.252 -172.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -53.53 -59.85 4.07 Favored 'General case' 0 N--CA 1.511 2.608 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 158.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.35 -41.93 90.37 Favored 'General case' 0 CA--C 1.559 1.325 0 O-C-N 121.158 -0.963 . . . . 0.0 111.664 -170.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.3 mt -62.16 -33.92 61.06 Favored 'Isoleucine or valine' 0 C--N 1.357 0.902 0 C-N-CA 119.302 -0.959 . . . . 0.0 110.817 176.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -71.52 -39.74 70.57 Favored 'General case' 0 C--O 1.288 3.122 0 CA-C-O 118.436 -0.793 . . . . 0.0 113.042 178.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -130.94 -9.34 3.89 Favored 'General case' 0 C--O 1.184 -2.377 0 N-CA-C 120.811 3.634 . . . . 0.0 120.811 -162.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 47.8 mm -122.73 99.15 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.028 1 O-C-N 114.916 -4.865 . . . . 0.0 110.244 -172.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.2 m -142.5 104.91 4.47 Favored 'General case' 0 CA--C 1.561 1.395 0 N-CA-C 104.817 -2.29 . . . . 0.0 104.817 -171.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.8 tp -64.46 -35.03 79.61 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 123.83 1.776 . . . . 0.0 111.268 -174.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -149.73 72.62 9.69 Favored Pre-proline 0 C--N 1.311 -1.07 0 O-C-N 118.468 -2.645 . . . . 0.0 109.103 -173.096 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -69.34 166.65 26.34 Favored 'Trans proline' 0 C--N 1.371 1.719 0 O-C-N 124.651 1.869 . . . . 0.0 112.065 -176.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -82.65 171.04 12.39 Favored 'Trans proline' 1 CA--C 1.612 4.377 1 C-N-CA 126.874 5.05 . . . . 0.0 109.432 160.79 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.5 mtt-85 -46.8 144.12 2.52 Favored 'General case' 0 C--O 1.252 1.214 0 C-N-CA 128.011 2.525 . . . . 0.0 110.237 176.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.488 ' SG ' ' HA ' ' A' ' 100' ' ' ASP . 93.3 m -57.23 -22.1 38.61 Favored 'General case' 0 N--CA 1.519 3.009 0 CA-C-O 114.766 -2.54 . . . . 0.0 117.537 -176.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 p -48.36 -27.44 2.58 Favored 'General case' 0 N--CA 1.512 2.668 0 C-N-CA 126.836 2.054 . . . . 0.0 113.931 164.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.4 mm -118.7 -39.64 2.05 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.101 0 CA-C-O 114.249 -2.786 . . . . 0.0 105.506 -170.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.72 -28.85 69.35 Favored 'General case' 0 C--O 1.266 1.925 0 CA-C-O 114.114 -2.85 . . . . 0.0 109.822 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 29.1 mmm -63.45 -16.21 59.95 Favored 'General case' 0 CA--C 1.487 -1.457 0 CA-C-N 125.049 3.568 . . . . 0.0 111.994 173.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -68.41 -20.16 64.65 Favored 'General case' 0 C--O 1.192 -1.934 0 C-N-CA 125.211 1.404 . . . . 0.0 113.732 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -24.39 66.52 Favored 'General case' 0 N--CA 1.425 -1.72 0 C-N-CA 126.52 1.928 . . . . 0.0 113.015 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 16.3 pt -126.75 -39.04 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.187 0 O-C-N 125.466 1.729 . . . . 0.0 113.978 172.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.354 42.7 m-20 -72.01 -13.01 61.5 Favored 'General case' 0 N--CA 1.42 -1.936 0 N-CA-C 118.796 2.888 . . . . 0.0 118.796 -174.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -110.96 30.44 6.86 Favored 'General case' 0 CA--C 1.624 3.8 1 O-C-N 116.246 -4.034 . . . . 0.0 107.2 173.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -152.91 -54.45 0.12 Allowed 'General case' 0 N--CA 1.498 1.967 0 C-N-CA 128.765 2.826 . . . . 0.0 105.709 -162.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -79.22 162.42 25.73 Favored 'General case' 0 C--O 1.253 1.282 0 CA-C-N 121.304 1.865 . . . . 0.0 112.323 166.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -68.24 -11.73 59.83 Favored 'General case' 0 CA--C 1.575 1.941 0 C-N-CA 126.424 1.89 . . . . 0.0 113.005 -167.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -155.64 140.26 16.96 Favored 'General case' 0 N--CA 1.499 1.996 0 CA-C-O 122.026 0.917 . . . . 0.0 110.226 -169.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.8 m -49.19 103.7 0.05 Allowed 'General case' 0 CA--C 1.567 1.622 0 C-N-CA 129.465 3.106 . . . . 0.0 111.013 167.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.425 ' HE2' ' H3 ' ' A' ' 203' ' ' SGN . 56.7 tttt -66.24 126.64 29.35 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 116.881 -3.637 . . . . 0.0 110.011 166.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -60.64 -43.37 97.63 Favored 'General case' 0 N--CA 1.39 -3.444 0 C-N-CA 128.928 2.891 . . . . 0.0 118.684 -170.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.423 ' O ' ' HE2' ' A' ' 38' ' ' LYS . 34.0 mm-40 -135.78 148.56 48.8 Favored 'General case' 0 C--O 1.196 -1.745 0 C-N-CA 125.05 1.34 . . . . 0.0 108.091 176.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -150.38 163.28 38.75 Favored 'General case' 0 CA--C 1.587 2.377 0 O-C-N 116.666 -3.771 . . . . 0.0 108.348 172.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.7 m -139.61 135.2 33.08 Favored 'General case' 0 N--CA 1.508 2.449 0 C-N-CA 125.506 1.522 . . . . 0.0 114.711 175.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -122.06 117.95 27.57 Favored 'General case' 0 CA--C 1.579 2.068 0 O-C-N 124.897 1.373 . . . . 0.0 108.101 -173.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -77.72 134.96 37.99 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 127.583 2.353 . . . . 0.0 115.366 172.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -93.82 65.73 3.61 Favored 'General case' 0 CA--C 1.589 2.459 0 CA-C-O 124.801 2.238 . . . . 0.0 107.147 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.298 6.3 t -135.1 175.65 9.39 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 118.106 -2.871 . . . . 0.0 108.183 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.0 p -97.47 152.4 19.01 Favored 'General case' 0 C--O 1.195 -1.765 0 O-C-N 120.803 -1.185 . . . . 0.0 109.64 173.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -49.74 -49.65 47.26 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 118.519 -2.613 . . . . 0.0 112.959 -175.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.29 -28.86 70.01 Favored 'General case' 0 C--N 1.305 -1.355 1 O-C-N 130.632 4.957 . . . . 0.0 111.575 -172.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -71.97 -26.98 62.48 Favored 'General case' 0 C--O 1.204 -1.326 0 CA-C-O 114.768 -2.539 . . . . 0.0 111.189 174.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.0 t -80.15 -36.18 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 CA-C-N 120.372 1.442 . . . . 0.0 110.737 171.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.1 t -53.78 -32.62 21.9 Favored 'Isoleucine or valine' 0 C--O 1.255 1.384 0 CA-C-O 115.241 -2.314 . . . . 0.0 111.85 175.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -71.12 -18.67 62.51 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 125.659 3.845 . . . . 0.0 114.834 176.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.4 t -74.32 -27.85 22.11 Favored 'Isoleucine or valine' 0 C--O 1.273 2.32 0 C-N-CA 126.887 2.075 . . . . 0.0 113.306 166.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 21.3 m -56.4 -45.08 80.81 Favored 'General case' 0 C--N 1.402 2.853 0 CA-C-O 122.23 1.014 . . . . 0.0 110.492 159.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.49 4.93 0.12 Allowed Glycine 1 N--CA 1.519 4.183 0 N-CA-C 121.248 3.259 . . . . 0.0 121.248 166.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -95.57 174.01 7.21 Favored 'General case' 0 N--CA 1.534 3.752 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 -175.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -46.97 147.77 1.27 Allowed 'General case' 0 CA--C 1.622 3.715 0 O-C-N 118.809 -2.432 . . . . 0.0 111.807 166.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.4 m -90.8 139.67 30.52 Favored 'General case' 0 N--CA 1.507 2.381 0 CA-C-N 122.585 2.448 . . . . 0.0 110.248 171.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.6 pt -137.96 -175.25 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 CA-C-O 126.143 2.878 . . . . 0.0 112.07 -177.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -109.97 148.37 31.76 Favored 'General case' 0 CA--C 1.49 -1.346 0 O-C-N 117.578 -3.201 . . . . 0.0 111.011 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 72.9 m -137.54 150.36 68.12 Favored Pre-proline 0 N--CA 1.48 1.062 0 O-C-N 125.011 1.444 . . . . 0.0 114.105 -173.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . 0.296 96.7 Cg_endo -72.8 -1.53 10.55 Favored 'Trans proline' 0 C--N 1.326 -0.624 1 C-N-CA 125.369 4.046 . . . . 0.0 112.485 -163.498 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -142.82 35.2 1.4 Allowed 'General case' 0 CA--C 1.581 2.151 0 CA-C-N 121.046 1.748 . . . . 0.0 114.58 -178.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -141.21 1.88 1.65 Allowed 'General case' 0 N--CA 1.499 2.018 0 C-N-CA 127.261 2.224 . . . . 0.0 111.046 -151.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.1 ptt85 -60.36 -19.54 56.01 Favored 'General case' 0 N--CA 1.494 1.734 1 O-C-N 115.414 -4.554 . . . . 0.0 114.432 -178.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.7 p -68.32 -29.39 68.13 Favored 'General case' 0 CA--C 1.493 -1.219 0 CA-C-O 114.371 -2.728 . . . . 0.0 112.245 175.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.472 ' H ' HD23 ' A' ' 68' ' ' LEU . 2.4 pt? -118.25 -9.29 10.47 Favored 'General case' 0 C--O 1.268 2.034 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 162.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.331 5.1 t30 47.19 47.42 16.44 Favored 'General case' 0 C--N 1.296 -1.728 0 C-N-CA 126.646 1.978 . . . . 0.0 112.035 171.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -159.79 119.95 2.99 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 129.37 3.068 . . . . 0.0 110.744 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 30.8 p -146.41 175.3 10.65 Favored 'General case' 0 C--N 1.286 -2.158 0 C-N-CA 127.521 2.328 . . . . 0.0 110.976 171.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -143.47 153.9 43.11 Favored 'General case' 0 C--N 1.365 1.269 0 O-C-N 120.401 -1.437 . . . . 0.0 110.988 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -114.47 159.97 19.73 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 126.495 1.918 . . . . 0.0 113.469 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 76.3 p -78.14 140.54 39.02 Favored 'General case' 0 N--CA 1.533 3.707 0 CA-C-N 114.378 -1.283 . . . . 0.0 111.518 -174.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -69.93 -29.47 66.63 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 -175.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -137.16 -175.79 4.16 Favored 'General case' 0 C--O 1.283 2.816 0 C-N-CA 129.197 2.999 . . . . 0.0 104.977 -169.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 -91.84 162.51 14.4 Favored 'General case' 0 C--O 1.248 1.02 0 C-N-CA 127.771 2.428 . . . . 0.0 111.399 168.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.5 m -148.72 145.76 20.62 Favored Pre-proline 0 C--O 1.272 2.249 0 C-N-CA 126.945 2.098 . . . . 0.0 106.78 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.76 156.2 67.05 Favored 'Trans proline' 0 CA--C 1.586 3.079 0 O-C-N 116.332 -2.51 . . . . 0.0 113.821 169.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . 0.334 2.1 pp -152.53 -175.34 5.25 Favored 'General case' 0 C--O 1.274 2.36 0 O-C-N 125.768 1.918 . . . . 0.0 108.057 -171.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.445 ' HA ' ' HA ' ' A' ' 102' ' ' PRO . 23.1 tp -151.9 108.43 3.46 Favored 'General case' 0 C--O 1.27 2.179 1 C-N-CA 134.343 5.057 . . . . 0.0 114.924 178.865 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.7 t60 -82.2 151.59 26.81 Favored 'General case' 0 C--N 1.362 1.141 0 C-N-CA 124.348 1.059 . . . . 0.0 111.021 167.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 90.8 m -138.73 144.17 39.39 Favored 'General case' 0 CA--C 1.486 -1.519 0 CA-C-O 117.541 -1.219 . . . . 0.0 112.864 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -140.93 121.35 14.04 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-O 115.4 -2.238 . . . . 0.0 111.634 -157.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 52.3 tp -65.35 92.74 0.13 Allowed 'General case' 0 CA--C 1.575 1.938 0 C-N-CA 127.448 2.299 . . . . 0.0 110.234 173.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 25.5 pt -66.34 19.11 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 N-CA-C 117.546 2.425 . . . . 0.0 117.546 172.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -146.32 103.25 4.04 Favored Pre-proline 0 C--N 1.394 2.518 0 O-C-N 119.874 -1.766 . . . . 0.0 112.234 172.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -71.01 -21.08 28.17 Favored 'Trans proline' 0 N--CA 1.445 -1.337 0 C-N-CA 121.991 1.794 . . . . 0.0 116.36 -175.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -85.45 -2.4 87.37 Favored Glycine 0 N--CA 1.48 1.62 0 CA-C-N 121.336 1.88 . . . . 0.0 116.585 171.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.8 131.36 35.88 Favored 'General case' 0 C--N 1.395 2.585 0 C-N-CA 115.877 -2.329 . . . . 0.0 113.036 173.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -121.5 -20.62 6.52 Favored 'General case' 0 C--N 1.361 1.093 0 CA-C-N 123.402 2.819 . . . . 0.0 115.888 172.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . 0.255 50.8 t30 -129.82 154.39 47.3 Favored 'General case' 0 N--CA 1.51 2.538 0 C-N-CA 117.098 -1.841 . . . . 0.0 111.754 -176.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 pp -65.5 -8.66 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 C-N-CA 127.029 2.132 . . . . 0.0 111.579 -159.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.8 m -73.55 -19.44 60.9 Favored 'General case' 1 N--CA 1.542 4.147 0 O-C-N 120.339 -1.476 . . . . 0.0 110.072 172.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -139.34 6.99 2.36 Favored 'General case' 0 C--O 1.263 1.771 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -171.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . 0.363 64.7 m -69.93 143.55 52.67 Favored 'General case' 0 C--N 1.365 1.265 0 C-N-CA 129.198 2.999 . . . . 0.0 113.032 173.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -155.64 139.37 16.11 Favored 'General case' 0 N--CA 1.499 1.993 1 C-N-CA 132.018 4.127 . . . . 0.0 113.443 -176.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -134.13 168.75 18.27 Favored 'General case' 0 C--O 1.28 2.685 0 O-C-N 118.868 -2.395 . . . . 0.0 113.279 -165.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -151.75 162.44 41.01 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-O 124.328 2.013 . . . . 0.0 110.603 177.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.488 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 1.2 m-20 -99.17 136.74 38.69 Favored 'General case' 0 C--O 1.246 0.919 0 C-N-CA 129.555 3.142 . . . . 0.0 107.725 -167.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -144.19 75.96 15.17 Favored Pre-proline 0 C--O 1.272 2.287 0 C-N-CA 128.508 2.723 . . . . 0.0 110.728 165.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.445 ' HA ' ' HA ' ' A' ' 81' ' ' LEU . 72.3 Cg_exo -38.2 164.07 0.02 OUTLIER 'Trans proline' 0 N--CA 1.505 2.192 0 C-N-CA 123.234 2.623 . . . . 0.0 117.271 163.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -173.75 -163.83 27.91 Favored Glycine 0 C--O 1.267 2.201 0 C-N-CA 116.738 -2.649 . . . . 0.0 118.645 162.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.6 ttt-85 -153.08 120.69 5.98 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 118.863 -2.551 . . . . 0.0 108.987 168.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -151.7 164.75 36.28 Favored 'General case' 0 N--CA 1.495 1.789 1 C-N-CA 131.804 4.042 . . . . 0.0 111.9 -165.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -76.78 173.27 11.87 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 121.42 -0.8 . . . . 0.0 110.229 158.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -158.59 161.85 37.28 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 121.526 1.966 . . . . 0.0 113.899 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.8 t -138.51 118.56 15.13 Favored 'Isoleucine or valine' 0 C--N 1.392 2.422 0 CA-C-O 123.39 1.567 . . . . 0.0 109.904 -163.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.6 m -127.52 164.43 28.63 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.283 0 C-N-CA 128.438 2.695 . . . . 0.0 108.467 -157.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -124.16 151.55 43.88 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-O 124.036 1.874 . . . . 0.0 108.247 169.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 55.5 m -127.55 175.56 8.16 Favored 'General case' 0 C--O 1.275 2.435 0 C-N-CA 127.305 2.242 . . . . 0.0 112.097 178.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -155.17 154.58 32.5 Favored 'General case' 0 C--N 1.29 -1.992 0 CA-C-N 111.276 -2.693 . . . . 0.0 114.923 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -51.99 141.53 17.76 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 127.461 2.976 . . . . 0.0 115.404 165.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.413 ' HE ' ' HB2' ' A' ' 114' ' ' ARG . 6.0 ptm180 -44.62 153.64 0.16 Allowed 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 131.254 3.822 . . . . 0.0 114.41 -178.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -73.84 138.11 76.6 Favored Pre-proline 0 CA--C 1.561 1.393 0 O-C-N 117.175 -3.453 . . . . 0.0 105.243 171.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -66.67 0.2 3.83 Favored 'Trans proline' 0 CA--C 1.557 1.642 0 CA-C-O 114.282 -2.466 . . . . 0.0 114.15 175.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 31.2 mtm105 -138.17 -49.39 0.56 Allowed 'General case' 0 C--O 1.273 2.302 0 CA-C-N 123.683 2.947 . . . . 0.0 113.081 164.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -58.08 117.35 4.27 Favored 'General case' 0 N--CA 1.497 1.883 0 CA-C-N 120.168 1.349 . . . . 0.0 114.095 -175.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.3 m 65.44 70.81 0.55 Allowed Pre-proline 0 C--O 1.252 1.226 0 CA-C-O 121.972 0.891 . . . . 0.0 110.612 159.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -66.97 -28.28 42.09 Favored 'Trans proline' 0 N--CA 1.51 2.472 1 C-N-CA 126.867 5.045 . . . . 0.0 115.713 -170.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 37.0 ttm105 -41.88 -35.95 0.95 Allowed 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 -177.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . 0.255 6.4 m-85 -106.52 130.06 23.51 Favored Pre-proline 0 CA--C 1.578 2.021 0 O-C-N 119.899 -1.751 . . . . 0.0 111.001 -173.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -78.69 -17.82 12.27 Favored 'Trans proline' 0 CA--C 1.565 2.053 0 CA-C-O 124.373 1.739 . . . . 0.0 112.139 174.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 4.0 m -145.05 141.7 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 C-N-CA 130.421 3.489 . . . . 0.0 112.173 -177.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 26.8 m -141.96 144.37 32.0 Favored Pre-proline 0 N--CA 1.482 1.175 0 O-C-N 117.455 -3.278 . . . . 0.0 106.675 -164.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -78.36 146.84 22.41 Favored 'Trans proline' 0 CA--C 1.555 1.546 0 O-C-N 126.376 2.777 . . . . 0.0 106.978 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 27.3 m -129.39 -12.01 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.609 3.222 0 CA-C-O 116.228 -1.844 . . . . 0.0 113.138 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -156.06 154.91 31.74 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 116.67 -1.634 . . . . 0.0 114.675 -171.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 25.7 tp -138.55 106.39 5.66 Favored 'General case' 0 N--CA 1.521 3.086 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 173.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -79.44 -37.53 36.8 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 128.392 2.677 . . . . 0.0 111.256 -174.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 8.0 t -173.18 179.73 2.15 Favored 'General case' 0 N--CA 1.523 3.22 0 O-C-N 118.464 -2.647 . . . . 0.0 108.843 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 45.4 p -140.48 149.33 42.39 Favored 'General case' 0 N--CA 1.517 2.894 0 N-CA-C 103.688 -2.708 . . . . 0.0 103.688 177.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.278 0.1 OUTLIER . . . . . 0 N--CA 1.512 2.647 0 O-C-N 119.537 -1.977 . . . . 0.0 112.192 -168.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 203' ' ' SGN . . . . . 0.425 ' H3 ' ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.6 ttt180 . . . . . 0 N--CA 1.415 -2.181 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -53.55 149.8 29.87 Favored 'Trans proline' 0 C--O 1.256 1.395 0 C-N-CA 123.56 2.84 . . . . 0.0 114.448 169.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -45.74 -32.56 9.03 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 CA-C-O 115.256 -2.06 . . . . 0.0 116.021 -175.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -148.77 21.65 1.01 Allowed 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 123.949 3.068 . . . . 0.0 115.813 -175.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -141.49 -177.14 5.01 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 128.191 2.596 . . . . 0.0 111.281 -171.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 49.2 p -92.49 164.57 13.41 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 127.786 2.434 . . . . 0.0 112.927 146.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -54.38 -50.52 67.32 Favored 'General case' 0 CA--C 1.463 -2.399 0 C-N-CA 126.047 1.739 . . . . 0.0 110.432 178.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . 0.253 . . -71.13 -33.47 70.12 Favored 'General case' 0 CA--C 1.487 -1.459 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -173.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -64.11 -55.61 20.73 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-O 124.536 2.112 . . . . 0.0 111.798 169.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -51.55 -42.88 62.15 Favored 'General case' 0 N--CA 1.405 -2.698 0 O-C-N 120.632 -1.293 . . . . 0.0 113.775 175.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 126' ' ' PRO . 43.2 t80 -51.6 -57.0 10.38 Favored 'General case' 0 C--O 1.181 -2.521 0 O-C-N 118.832 -2.418 . . . . 0.0 108.718 168.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.82 -52.39 57.19 Favored 'General case' 0 C--O 1.182 -2.455 0 N-CA-C 119.885 3.291 . . . . 0.0 119.885 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.0 mt -58.33 -29.85 38.92 Favored 'Isoleucine or valine' 0 C--O 1.297 3.593 0 O-C-N 117.911 -2.993 . . . . 0.0 113.829 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -80.39 -19.29 46.62 Favored 'General case' 0 N--CA 1.511 2.579 0 C-N-CA 129.235 3.014 . . . . 0.0 114.867 173.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -153.75 -11.56 0.14 Allowed 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 118.471 2.767 . . . . 0.0 118.471 -158.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.6 mm -136.3 99.95 2.18 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.114 0 CA-C-O 122.79 1.281 . . . . 0.0 110.89 -173.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 m -151.52 102.34 2.88 Favored 'General case' 0 CA--C 1.566 1.577 0 C-N-CA 127.641 2.377 . . . . 0.0 108.0 -160.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.0 tp -54.14 -41.02 67.93 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 127.587 2.355 . . . . 0.0 114.764 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -147.85 70.27 11.22 Favored Pre-proline 0 C--N 1.387 2.226 0 O-C-N 125.736 1.898 . . . . 0.0 108.969 -171.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.523 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 36.7 Cg_endo -69.98 152.24 68.12 Favored 'Trans proline' 0 C--O 1.257 1.457 0 C-N-CA 123.919 3.079 . . . . 0.0 114.108 174.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.523 ' HD3' ' HA ' ' A' ' 20' ' ' PRO . 34.0 Cg_exo -68.09 -165.65 0.12 Allowed 'Trans proline' 0 CA--C 1.583 2.972 1 C-N-CA 125.937 4.425 . . . . 0.0 114.772 167.634 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.1 mtt-85 -53.6 153.24 4.46 Favored 'General case' 0 C--O 1.264 1.816 0 CA-C-O 123.77 1.748 . . . . 0.0 107.178 164.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 79.6 m -50.61 -39.39 50.06 Favored 'General case' 0 CA--C 1.58 2.098 0 O-C-N 118.804 -2.435 . . . . 0.0 113.206 163.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.5 p -45.42 -28.89 0.96 Allowed 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 119.859 3.281 . . . . 0.0 119.859 166.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.3 mm -100.67 -46.09 11.65 Favored 'Isoleucine or valine' 0 C--O 1.273 2.323 0 O-C-N 125.05 1.468 . . . . 0.0 108.351 170.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.77 -42.47 97.54 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 119.649 -1.907 . . . . 0.0 109.413 -167.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 81.7 mmm -53.75 -36.08 61.95 Favored 'General case' 0 CA--C 1.588 2.418 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 170.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -51.6 -32.83 30.29 Favored 'General case' 0 N--CA 1.522 3.153 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 -174.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.6 -28.23 0.57 Allowed 'General case' 0 CA--C 1.593 2.622 0 C-N-CA 130.172 3.389 . . . . 0.0 116.116 178.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.6 pt -132.87 -36.32 0.5 Allowed 'Isoleucine or valine' 0 C--O 1.198 -1.649 1 CA-C-O 111.21 -4.233 . . . . 0.0 105.337 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -88.36 -10.91 47.81 Favored 'General case' 0 N--CA 1.531 3.604 1 CA-C-N 127.173 4.533 . . . . 0.0 111.674 -163.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -116.72 17.85 15.08 Favored 'General case' 0 C--O 1.184 -2.384 0 C-N-CA 127.919 2.488 . . . . 0.0 106.048 177.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -141.02 -3.9 1.21 Allowed 'General case' 0 C--N 1.386 2.189 0 O-C-N 116.514 -3.866 . . . . 0.0 111.859 176.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -112.9 150.93 31.09 Favored 'General case' 0 C--N 1.305 -1.364 1 O-C-N 116.269 -4.019 . . . . 0.0 107.178 166.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -44.41 -32.33 1.32 Allowed 'General case' 0 CA--C 1.561 1.402 0 N-CA-C 121.101 3.741 . . . . 0.0 121.101 -177.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -143.94 151.16 39.41 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 127.443 2.297 . . . . 0.0 108.266 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 85.7 m -64.74 134.96 55.28 Favored 'General case' 0 CA--C 1.571 1.754 0 C-N-CA 128.475 2.71 . . . . 0.0 111.633 -176.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -68.47 129.09 38.9 Favored 'General case' 0 N--CA 1.521 3.109 0 CA-C-O 124.282 1.992 . . . . 0.0 109.842 165.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -55.27 -35.72 65.33 Favored 'General case' 0 N--CA 1.439 -0.995 2 O-C-N 114.746 -4.972 . . . . 0.0 116.353 176.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -151.69 149.1 28.72 Favored 'General case' 0 C--N 1.427 3.969 0 O-C-N 119.83 -1.794 . . . . 0.0 107.871 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -151.13 154.72 37.47 Favored 'General case' 0 CA--C 1.589 2.467 0 C-N-CA 126.454 1.901 . . . . 0.0 115.112 171.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 79.9 m -129.24 132.73 47.28 Favored 'General case' 0 C--O 1.262 1.727 0 CA-C-O 114.615 -2.612 . . . . 0.0 112.842 -172.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -124.49 116.52 22.64 Favored 'General case' 0 C--O 1.2 -1.537 0 C-N-CA 130.506 3.523 . . . . 0.0 109.773 -176.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.411 HD21 HG21 ' A' ' 132' ' ' THR . 16.0 mt -87.28 124.54 33.45 Favored 'General case' 0 C--N 1.378 1.813 0 O-C-N 119.781 -1.824 . . . . 0.0 109.241 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.419 ' HB2' ' HB2' ' A' ' 79' ' ' PRO . 27.7 mtp180 -82.04 77.3 8.87 Favored 'General case' 0 N--CA 1.472 0.663 1 O-C-N 129.257 4.098 . . . . 0.0 115.394 175.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.5 t -144.33 173.33 11.87 Favored 'General case' 0 C--N 1.373 1.592 0 N-CA-C 104.839 -2.282 . . . . 0.0 104.839 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.5 p -75.16 157.34 34.78 Favored 'General case' 0 N--CA 1.523 3.209 0 CA-C-N 114.305 -1.316 . . . . 0.0 110.976 164.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -68.01 -37.5 81.49 Favored 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 172.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.69 -19.56 65.02 Favored 'General case' 0 N--CA 1.535 3.793 0 C-N-CA 126.143 1.777 . . . . 0.0 113.332 178.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -91.53 -22.77 20.19 Favored 'General case' 0 N--CA 1.408 -2.549 0 N-CA-C 116.162 1.912 . . . . 0.0 116.162 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 t -73.62 -27.7 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-N 114.532 -1.213 . . . . 0.0 111.036 163.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.456 HG11 ' CD1' ' A' ' 122' ' ' TYR . 85.3 t -60.17 -44.72 95.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 CA-C-O 124.964 2.316 . . . . 0.0 106.014 168.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -59.86 -22.62 62.56 Favored 'General case' 0 N--CA 1.508 2.441 1 O-C-N 114.573 -5.079 . . . . 0.0 114.703 172.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.0 t -74.56 -39.4 47.31 Favored 'Isoleucine or valine' 0 CA--C 1.616 3.514 0 CA-C-N 119.469 1.031 . . . . 0.0 108.479 168.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 88.6 m -63.76 -18.84 64.47 Favored 'General case' 0 CA--C 1.564 1.489 0 C-N-CA 128.048 2.539 . . . . 0.0 113.113 172.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -83.44 -9.05 84.13 Favored Glycine 2 C--O 1.166 -4.121 0 C-N-CA 130.244 3.783 . . . . 0.0 117.346 170.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -89.11 175.01 7.56 Favored 'General case' 0 CA--C 1.555 1.172 0 O-C-N 117.449 -3.383 . . . . 0.0 110.604 -176.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -54.74 138.01 43.12 Favored 'General case' 0 N--CA 1.522 3.149 0 O-C-N 118.773 -2.454 . . . . 0.0 109.876 -172.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.7 m -62.27 124.09 19.96 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 130.124 3.37 . . . . 0.0 111.952 173.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.5 pt -120.79 177.51 3.19 Favored 'Isoleucine or valine' 0 C--O 1.265 1.902 0 C-N-CA 124.09 0.956 . . . . 0.0 111.396 169.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -117.57 146.86 43.32 Favored 'General case' 0 N--CA 1.515 2.786 0 C-N-CA 127.304 2.242 . . . . 0.0 110.764 168.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 75.9 m -148.05 154.94 43.65 Favored Pre-proline 0 C--N 1.304 -1.371 1 C-N-CA 134.457 5.103 . . . . 0.0 118.529 -159.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -89.6 2.42 5.53 Favored 'Trans proline' 0 C--N 1.376 2.017 0 N-CA-C 115.87 1.45 . . . . 0.0 115.87 -164.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -128.67 37.45 4.1 Favored 'General case' 0 CA--C 1.601 2.936 0 C-N-CA 125.156 1.382 . . . . 0.0 111.833 -174.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -146.4 10.18 1.1 Allowed 'General case' 0 CA--C 1.589 2.448 0 O-C-N 119.238 -2.164 . . . . 0.0 112.226 -145.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . 0.255 28.5 ptt-85 -57.04 -30.79 64.53 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.716 1.607 . . . . 0.0 114.282 -163.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.2 p -62.21 -20.94 64.71 Favored 'General case' 0 N--CA 1.5 2.052 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 -178.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -141.83 -7.78 0.95 Allowed 'General case' 0 C--O 1.265 1.918 0 CA-C-O 116.942 -1.504 . . . . 0.0 114.623 174.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 65.7 t30 48.89 40.17 15.98 Favored 'General case' 0 C--O 1.209 -1.066 0 N-CA-C 118.481 2.771 . . . . 0.0 118.481 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -141.9 147.99 37.98 Favored 'General case' 0 C--O 1.255 1.371 0 C-N-CA 125.248 1.419 . . . . 0.0 114.01 169.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.2 p -162.91 166.66 23.68 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 126.125 1.77 . . . . 0.0 114.851 -177.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -136.69 154.63 50.56 Favored 'General case' 0 C--N 1.308 -1.201 0 O-C-N 121.236 -0.915 . . . . 0.0 110.966 178.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -116.72 157.37 25.58 Favored 'General case' 0 CA--C 1.573 1.859 0 C-N-CA 123.87 0.868 . . . . 0.0 113.279 176.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.5 p -70.78 145.17 50.57 Favored 'General case' 0 CA--C 1.481 -1.679 0 CA-C-O 127.168 3.366 . . . . 0.0 110.875 -170.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 76.4 mtt-85 -70.22 -16.48 63.06 Favored 'General case' 0 C--N 1.391 2.382 0 CA-C-N 110.74 -2.936 . . . . 0.0 115.841 -175.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -164.82 173.27 11.92 Favored 'General case' 0 CA--C 1.588 2.406 0 C-N-CA 130.705 3.602 . . . . 0.0 112.081 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -74.97 151.73 38.82 Favored 'General case' 0 C--N 1.37 1.487 0 O-C-N 119.189 -2.194 . . . . 0.0 112.444 175.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.4 m -131.24 148.9 72.02 Favored Pre-proline 0 C--O 1.206 -1.205 0 CA-C-O 115.505 -2.188 . . . . 0.0 109.563 175.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.419 ' HB2' ' HB2' ' A' ' 45' ' ' ARG . 48.7 Cg_exo -51.47 154.03 9.41 Favored 'Trans proline' 0 CA--C 1.596 3.597 0 O-C-N 124.94 2.021 . . . . 0.0 114.958 155.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 pp -168.93 165.33 11.54 Favored 'General case' 0 C--O 1.192 -1.942 0 CA-C-O 125.116 2.389 . . . . 0.0 106.557 -173.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.7 tp -127.59 141.59 51.59 Favored 'General case' 0 N--CA 1.427 -1.623 0 O-C-N 117.933 -2.979 . . . . 0.0 109.812 172.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . 0.257 35.3 t60 -119.04 152.18 36.89 Favored 'General case' 0 C--O 1.204 -1.327 0 N-CA-C 103.347 -2.835 . . . . 0.0 103.347 174.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 99.3 m -141.56 131.41 24.37 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -171.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . 0.362 58.8 t0 -127.59 143.3 51.18 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 116.429 -1.748 . . . . 0.0 113.39 -160.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.6 tp -84.37 77.76 9.93 Favored 'General case' 0 CA--C 1.479 -1.761 0 N-CA-C 118.311 2.708 . . . . 0.0 118.311 172.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.4 pp -64.96 -0.26 0.71 Allowed 'Isoleucine or valine' 1 N--CA 1.547 4.413 0 CA-C-N 110.853 -2.885 . . . . 0.0 117.764 -177.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -126.12 82.91 64.43 Favored Pre-proline 0 C--O 1.268 2.034 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 162.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_exo -51.19 -16.47 2.94 Favored 'Trans proline' 0 C--N 1.37 1.692 1 C-N-CA 126.503 4.802 . . . . 0.0 118.247 172.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -71.32 -0.36 37.0 Favored Glycine 0 N--CA 1.482 1.761 0 CA-C-O 115.353 -2.915 . . . . 0.0 119.878 175.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -129.01 159.72 35.02 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-N 122.374 3.087 . . . . 0.0 112.093 -173.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -140.82 -9.27 1.04 Allowed 'General case' 0 C--O 1.256 1.437 0 CA-C-N 112.661 -2.063 . . . . 0.0 114.328 160.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -94.86 137.44 33.92 Favored 'General case' 0 CA--C 1.598 2.824 1 O-C-N 113.448 -5.782 . . . . 0.0 111.223 177.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.1 pt -51.66 -22.85 2.72 Favored 'Isoleucine or valine' 0 C--N 1.367 1.364 0 CA-C-O 115.905 -1.998 . . . . 0.0 116.059 -169.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.0 m -54.34 -22.97 13.56 Favored 'General case' 1 C--O 1.305 4.021 0 N-CA-C 118.758 2.873 . . . . 0.0 118.758 168.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -145.75 -5.67 0.62 Allowed 'General case' 0 C--N 1.254 -3.557 0 CA-C-N 114.285 -1.325 . . . . 0.0 112.822 -170.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.2 m -61.21 135.17 57.65 Favored 'General case' 0 CA--C 1.597 2.752 0 O-C-N 120.058 -1.651 . . . . 0.0 111.291 164.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 55.2 mtt-85 -153.51 152.62 31.16 Favored 'General case' 0 C--O 1.185 -2.329 0 CA-C-O 126.779 3.18 . . . . 0.0 111.289 174.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -135.55 166.96 22.0 Favored 'General case' 0 CA--C 1.574 1.892 0 CA-C-O 128.174 3.845 . . . . 0.0 115.578 -150.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -152.66 163.65 39.23 Favored 'General case' 0 C--O 1.28 2.678 0 CA-C-N 112.487 -2.142 . . . . 0.0 113.162 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -100.87 147.86 25.62 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 117.459 -3.276 . . . . 0.0 113.294 -166.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . 0.255 0.9 OUTLIER -147.21 64.48 8.85 Favored Pre-proline 0 N--CA 1.51 2.545 0 O-C-N 118.08 -2.888 . . . . 0.0 112.997 176.632 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . 0.333 44.9 Cg_endo -62.35 174.73 2.48 Favored 'Trans proline' 0 CA--C 1.489 -1.755 0 C-N-CA 124.855 3.703 . . . . 0.0 120.476 170.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 160.98 -178.16 37.06 Favored Glycine 1 CA--C 1.59 4.779 0 CA-C-O 118.315 -1.269 . . . . 0.0 113.172 -167.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 66.2 ttt-85 -149.74 119.97 7.29 Favored 'General case' 0 N--CA 1.415 -2.201 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 178.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 84.1 mtm-85 -159.34 172.59 17.7 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-O 116.815 -1.564 . . . . 0.0 111.21 -170.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -67.6 179.56 1.32 Allowed 'General case' 0 CA--C 1.59 2.519 0 N-CA-C 105.288 -2.115 . . . . 0.0 105.288 175.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.742 ' HB3' HG22 ' A' ' 132' ' ' THR . 51.9 p90 -152.15 163.48 39.28 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-O 125.718 2.675 . . . . 0.0 113.606 171.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.0 t -128.15 139.36 52.12 Favored 'Isoleucine or valine' 0 C--O 1.278 2.596 0 CA-C-N 113.305 -1.77 . . . . 0.0 113.682 -177.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 17.4 m -142.7 168.21 13.92 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.929 0 C-N-CA 126.912 2.085 . . . . 0.0 116.097 -178.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -133.65 156.02 48.64 Favored 'General case' 0 CA--C 1.599 2.863 0 N-CA-C 104.228 -2.508 . . . . 0.0 104.228 165.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.0 m -141.25 179.37 6.8 Favored 'General case' 0 C--O 1.282 2.768 0 C-N-CA 130.424 3.49 . . . . 0.0 115.316 -164.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -165.41 165.54 19.17 Favored 'General case' 0 N--CA 1.431 -1.395 0 CA-C-N 113.243 -1.799 . . . . 0.0 111.662 -171.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -55.79 145.92 23.01 Favored 'General case' 0 N--CA 1.519 2.978 0 N-CA-C 116.507 2.039 . . . . 0.0 116.507 168.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . 0.317 3.7 ptt180 -52.68 152.43 3.75 Favored 'General case' 0 C--O 1.284 2.873 0 C-N-CA 126.123 1.769 . . . . 0.0 112.614 -174.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -73.63 159.68 83.96 Favored Pre-proline 0 C--O 1.209 -1.071 0 CA-C-N 121.914 2.143 . . . . 0.0 114.263 172.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -72.57 -5.15 16.62 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 N-CA-C 117.631 2.127 . . . . 0.0 117.631 -171.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -143.66 -44.12 0.28 Allowed 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 118.97 2.952 . . . . 0.0 118.97 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -61.57 141.66 57.61 Favored 'General case' 0 N--CA 1.5 2.059 0 C-N-CA 125.95 1.7 . . . . 0.0 109.773 174.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 70.5 m 27.63 73.09 0.4 Allowed Pre-proline 0 C--O 1.255 1.379 0 C-N-CA 130.678 3.591 . . . . 0.0 116.939 170.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -75.21 11.19 1.56 Allowed 'Trans proline' 0 CA--C 1.51 -0.688 0 C-N-CA 122.709 2.273 . . . . 0.0 113.971 -174.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -62.08 -11.07 12.03 Favored 'General case' 0 N--CA 1.519 3.009 1 C-N-CA 135.796 5.638 . . . . 0.0 113.915 173.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.456 ' CD1' HG11 ' A' ' 52' ' ' VAL . 36.6 m-85 -144.66 138.48 14.55 Favored Pre-proline 0 C--O 1.273 2.294 0 O-C-N 118.752 -2.468 . . . . 0.0 115.458 -172.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -69.54 -19.71 36.8 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 CA-C-O 113.61 -2.746 . . . . 0.0 113.305 167.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 15.1 m -145.02 155.05 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 CA-C-N 122.265 2.302 . . . . 0.0 110.732 -176.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 27.5 m -140.33 139.3 20.45 Favored Pre-proline 0 CA--C 1.602 2.959 0 C-N-CA 126.844 2.058 . . . . 0.0 112.303 -177.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.476 ' HB2' ' CE2' ' A' ' 11' ' ' PHE . 84.1 Cg_endo -67.94 135.61 35.66 Favored 'Trans proline' 0 C--N 1.287 -2.707 1 C-N-CA 126.036 4.491 . . . . 0.0 111.544 172.095 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 34.6 m -125.22 -10.59 5.71 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.188 0 O-C-N 117.756 -3.09 . . . . 0.0 113.367 177.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -157.6 143.48 17.45 Favored 'General case' 0 C--O 1.261 1.679 0 C-N-CA 117.233 -1.787 . . . . 0.0 111.74 -177.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 13.1 tp -74.94 173.87 10.06 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 116.503 -1.713 . . . . 0.0 113.531 169.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -139.03 -42.54 0.47 Allowed 'General case' 0 C--O 1.271 2.201 0 CA-C-O 125.859 2.742 . . . . 0.0 114.747 144.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.5 t -168.05 154.01 7.27 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 113.178 -1.828 . . . . 0.0 114.448 -162.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.742 HG22 ' HB3' ' A' ' 107' ' ' TYR . 65.5 p -132.83 126.07 31.46 Favored 'General case' 0 N--CA 1.501 2.115 1 C-N-CA 132.888 4.475 . . . . 0.0 110.669 173.319 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.561 1.366 0 O-C-N 117.199 -3.438 . . . . 0.0 114.981 -154.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 203' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 . . . . . 0 CA--C 1.551 1.01 0 CA-C-O 117.254 -1.355 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . 0.269 10.9 Cg_endo -56.27 172.48 0.63 Allowed 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 125.059 3.839 . . . . 0.0 117.456 -178.125 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -45.08 -35.89 11.04 Favored 'Trans proline' 0 N--CA 1.513 2.662 1 C-N-CA 126.568 4.846 . . . . 0.0 118.022 -175.107 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -148.1 3.87 0.71 Allowed 'General case' 0 CA--C 1.6 2.874 0 O-C-N 120.717 -1.239 . . . . 0.0 113.585 -167.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.368 31.3 m-85 -142.5 147.88 36.74 Favored 'General case' 0 CA--C 1.577 1.985 0 O-C-N 118.765 -2.459 . . . . 0.0 104.839 -162.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.8 p -63.4 163.84 10.11 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 125.044 2.354 . . . . 0.0 108.847 159.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.502 ' HG3' HG12 ' A' ' 127' ' ' VAL . 14.8 tpt180 -60.94 -47.91 84.24 Favored 'General case' 0 C--N 1.403 2.924 0 CA-C-N 112.339 -2.21 . . . . 0.0 113.427 175.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.73 -31.76 69.92 Favored 'General case' 0 CA--C 1.589 2.475 1 C-N-CA 133.549 4.74 . . . . 0.0 110.311 175.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . 0.262 46.8 mt-30 -81.46 -32.53 32.5 Favored 'General case' 0 C--O 1.263 1.814 0 C-N-CA 126.459 1.904 . . . . 0.0 113.592 171.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -79.07 -30.6 44.04 Favored 'General case' 0 C--O 1.267 2.01 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -59.45 -34.05 72.04 Favored 'General case' 0 C--O 1.244 0.787 0 N-CA-C 115.808 1.781 . . . . 0.0 115.808 157.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . 0.317 . . -71.77 -52.45 17.55 Favored 'General case' 0 CA--C 1.596 2.735 0 CA-C-O 117.633 -1.175 . . . . 0.0 113.178 176.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.6 mt -47.69 -41.78 8.57 Favored 'Isoleucine or valine' 0 C--N 1.374 1.654 0 C-N-CA 124.343 1.057 . . . . 0.0 112.266 170.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -82.42 -14.45 55.14 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 120.608 3.559 . . . . 0.0 120.608 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . 0.274 79.7 m-70 -142.6 -10.22 0.82 Allowed 'General case' 0 CA--C 1.578 2.044 0 CA-C-O 114.112 -2.851 . . . . 0.0 116.164 -166.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.4 mm -128.34 113.77 31.4 Favored 'Isoleucine or valine' 0 C--N 1.368 1.371 0 N-CA-C 118.299 2.703 . . . . 0.0 118.299 -168.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 64.8 m -159.87 108.84 1.77 Allowed 'General case' 0 CA--C 1.583 2.243 0 C-N-CA 127.804 2.441 . . . . 0.0 106.066 -176.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.9 tp -67.6 -13.97 62.53 Favored 'General case' 0 C--O 1.269 2.13 0 CA-C-O 113.605 -3.093 . . . . 0.0 112.958 -177.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -158.17 69.22 3.85 Favored Pre-proline 0 CA--C 1.628 3.949 0 N-CA-C 105.109 -2.182 . . . . 0.0 105.109 -177.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.405 ' CB ' ' HD2' ' A' ' 21' ' ' PRO . 2.2 Cg_endo -70.28 169.14 20.28 Favored 'Trans proline' 0 CA--C 1.579 2.758 0 CA-C-N 120.943 1.372 . . . . 0.0 114.062 -161.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.405 ' HD2' ' CB ' ' A' ' 20' ' ' PRO . 35.3 Cg_endo -72.34 176.39 8.7 Favored 'Trans proline' 0 C--O 1.261 1.633 0 C-N-CA 124.782 3.655 . . . . 0.0 111.152 166.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -64.14 140.77 58.9 Favored 'General case' 0 CA--C 1.581 2.16 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 172.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.401 ' C ' ' H ' ' A' ' 25' ' ' ILE . 12.6 m -45.1 -35.85 3.32 Favored 'General case' 0 C--O 1.255 1.345 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.2 p -58.97 1.07 0.07 Allowed 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 129.078 2.951 . . . . 0.0 115.66 175.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.401 ' H ' ' C ' ' A' ' 23' ' ' CYS . 15.7 mm -136.94 -29.23 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.466 -2.279 0 C-N-CA 127.586 2.354 . . . . 0.0 111.114 -177.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.11 -43.04 59.04 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 121.177 1.808 . . . . 0.0 111.558 176.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 39.9 mmm -50.3 -35.89 29.39 Favored 'General case' 0 C--O 1.205 -1.266 0 O-C-N 119.506 -1.996 . . . . 0.0 114.589 167.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -61.97 -22.8 65.95 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 124.705 2.193 . . . . 0.0 115.335 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.5 -24.08 12.17 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-N 111.428 -2.623 . . . . 0.0 118.039 170.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.83 -46.49 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.582 0 CA-C-O 117.234 -1.365 . . . . 0.0 111.234 165.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -80.29 -2.07 43.6 Favored 'General case' 0 CA--C 1.598 2.814 0 CA-C-N 121.214 1.824 . . . . 0.0 115.9 -167.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -95.97 11.21 34.77 Favored 'General case' 0 N--CA 1.521 3.078 0 O-C-N 120.944 -1.097 . . . . 0.0 109.3 165.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -131.39 -34.74 1.37 Allowed 'General case' 0 C--N 1.293 -1.872 0 C-N-CA 130.691 3.596 . . . . 0.0 117.316 -177.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -83.87 168.76 15.79 Favored 'General case' 0 N--CA 1.532 3.655 0 CA-C-N 122.116 2.235 . . . . 0.0 108.754 165.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -14.25 61.88 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 122.91 1.338 . . . . 0.0 112.676 -173.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -153.54 157.24 39.46 Favored 'General case' 0 CA--C 1.496 -1.124 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.205 -173.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 85.9 m -69.93 120.11 15.16 Favored 'General case' 0 C--N 1.362 1.151 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.7 tttt -57.56 122.57 13.03 Favored 'General case' 0 CA--C 1.57 1.744 0 C-N-CA 127.264 2.226 . . . . 0.0 113.691 157.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -59.06 -47.21 86.05 Favored 'General case' 0 C--O 1.272 2.255 0 C-N-CA 128.313 2.645 . . . . 0.0 108.519 -170.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -145.11 151.07 37.91 Favored 'General case' 0 C--O 1.194 -1.842 0 C-N-CA 125.66 1.584 . . . . 0.0 108.569 -171.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -154.65 161.11 41.71 Favored 'General case' 0 N--CA 1.415 -2.201 0 C-N-CA 127.574 2.349 . . . . 0.0 108.35 170.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.5 m -131.29 134.39 46.33 Favored 'General case' 0 CA--C 1.478 -1.805 0 C-N-CA 128.118 2.567 . . . . 0.0 111.27 175.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -110.99 111.17 22.09 Favored 'General case' 0 N--CA 1.415 -2.19 1 C-N-CA 133.277 4.631 . . . . 0.0 113.363 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 75.0 mt -72.35 128.45 35.67 Favored 'General case' 0 C--N 1.374 1.643 0 N-CA-C 116.911 2.189 . . . . 0.0 116.911 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -80.59 76.62 7.45 Favored 'General case' 0 N--CA 1.505 2.312 0 CA-C-N 119.679 1.127 . . . . 0.0 111.451 171.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.271 1.2 t -158.05 175.03 14.32 Favored 'General case' 0 C--O 1.255 1.35 0 CA-C-O 125.565 2.602 . . . . 0.0 107.661 -174.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.3 p -115.93 148.96 39.48 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 111.371 -2.65 . . . . 0.0 116.401 -179.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -56.96 -38.97 73.7 Favored 'General case' 0 N--CA 1.5 2.033 0 C-N-CA 127.762 2.425 . . . . 0.0 114.604 -173.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.27 -20.45 63.92 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.86 -0.525 . . . . 0.0 111.615 177.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -72.93 -44.94 60.6 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 126.807 3.194 . . . . 0.0 114.577 175.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.5 t -67.25 -29.01 44.43 Favored 'Isoleucine or valine' 0 C--O 1.267 2.003 0 C-N-CA 127.422 2.289 . . . . 0.0 116.027 174.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 97.7 t -64.89 -30.6 50.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 120.0 1.273 . . . . 0.0 113.823 168.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -68.81 -16.14 63.7 Favored 'General case' 0 CA--C 1.584 2.265 0 O-C-N 119.757 -1.84 . . . . 0.0 114.058 166.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.4 t -79.83 -39.41 19.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 CA-C-N 122.049 2.204 . . . . 0.0 110.224 165.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 58.5 m -57.2 -22.54 41.49 Favored 'General case' 0 N--CA 1.517 2.923 0 N-CA-C 117.775 2.509 . . . . 0.0 117.775 169.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.04 -8.22 45.27 Favored Glycine 0 CA--C 1.546 1.99 1 C-N-CA 131.986 4.612 . . . . 0.0 113.082 176.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -52.35 151.69 3.88 Favored 'General case' 0 N--CA 1.503 2.213 0 CA-C-N 118.597 1.198 . . . . 0.0 112.275 152.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -38.18 148.82 0.04 OUTLIER 'General case' 0 C--N 1.375 1.687 0 CA-C-O 123.614 1.673 . . . . 0.0 114.513 172.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.2 m -79.37 131.96 36.27 Favored 'General case' 0 N--CA 1.499 1.986 0 CA-C-O 125.729 2.68 . . . . 0.0 110.262 171.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 13.6 pt -131.07 -172.06 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 C-N-CA 127.509 2.324 . . . . 0.0 105.523 173.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -142.24 146.11 34.8 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 130.131 3.372 . . . . 0.0 115.452 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 65.9 m -131.06 157.9 76.75 Favored Pre-proline 1 CA--C 1.632 4.099 0 CA-C-O 116.64 -1.648 . . . . 0.0 112.668 -158.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -59.66 -19.02 51.11 Favored 'Trans proline' 0 C--N 1.325 -0.685 1 N-CA-C 124.261 4.677 . . . . 0.0 124.261 172.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -131.79 58.36 1.74 Allowed 'General case' 0 CA--C 1.578 2.026 0 O-C-N 120.268 -1.52 . . . . 0.0 110.654 -168.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -151.46 -0.87 0.34 Allowed 'General case' 0 C--O 1.198 -1.625 0 N-CA-C 119.09 2.996 . . . . 0.0 119.09 -153.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.4 ptt-85 -48.31 -20.78 0.43 Allowed 'General case' 0 CA--C 1.541 0.63 1 C-N-CA 132.118 4.167 . . . . 0.0 115.059 -176.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.6 p -60.64 -25.23 66.15 Favored 'General case' 0 CA--C 1.581 2.135 0 CA-C-N 121.916 2.144 . . . . 0.0 112.872 167.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.302 2.4 pt? -141.32 -16.16 0.84 Allowed 'General case' 0 CA--C 1.589 2.459 0 O-C-N 118.445 -2.659 . . . . 0.0 116.225 -176.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.4 t30 51.49 33.18 9.9 Favored 'General case' 0 CA--C 1.613 3.401 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -168.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -146.54 140.72 26.35 Favored 'General case' 0 C--O 1.299 3.668 0 C-N-CA 123.723 0.809 . . . . 0.0 112.031 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.5 p -142.34 -178.68 5.86 Favored 'General case' 0 CA--C 1.564 1.509 0 CA-C-O 122.8 1.286 . . . . 0.0 111.557 172.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -147.41 147.0 29.79 Favored 'General case' 0 CA--C 1.563 1.467 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 171.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -121.62 155.53 34.9 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 124.363 1.04 . . . . 0.0 113.05 178.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.1 p -71.47 167.47 19.56 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 125.253 2.454 . . . . 0.0 109.12 -167.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 78.4 mtt-85 -92.01 -27.28 17.92 Favored 'General case' 0 N--CA 1.505 2.29 0 CA-C-O 123.78 1.752 . . . . 0.0 111.179 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -143.73 172.98 12.08 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-O 117.632 -1.175 . . . . 0.0 112.341 -176.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . 0.312 42.7 mtm180 -89.35 155.69 19.19 Favored 'General case' 0 N--CA 1.422 -1.826 0 O-C-N 125.01 1.444 . . . . 0.0 107.534 171.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.0 m -141.34 153.11 65.73 Favored Pre-proline 0 CA--C 1.577 2.011 0 C-N-CA 125.925 1.69 . . . . 0.0 107.445 174.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -54.45 146.52 51.84 Favored 'Trans proline' 0 C--N 1.378 2.103 0 C-N-CA 122.419 2.079 . . . . 0.0 112.12 165.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.0 pp -149.55 160.89 43.11 Favored 'General case' 0 N--CA 1.435 -1.187 0 O-C-N 125.247 1.592 . . . . 0.0 114.385 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.2 tp -129.12 106.91 9.17 Favored 'General case' 0 CA--C 1.559 1.304 0 CA-C-O 125.366 2.508 . . . . 0.0 107.299 176.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -76.57 145.07 39.24 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 127.299 2.239 . . . . 0.0 111.26 169.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 48.5 m -136.35 146.64 46.76 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 120.093 1.315 . . . . 0.0 108.221 -169.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 15.4 t70 -147.94 114.98 6.15 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 125.223 1.577 . . . . 0.0 109.882 -152.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 38.0 tp -60.72 94.07 0.03 OUTLIER 'General case' 0 C--N 1.39 2.362 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 170.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.3 pt -61.67 -10.02 3.68 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.428 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 174.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . 0.284 52.2 t30 -112.14 59.89 0.55 Allowed Pre-proline 0 C--N 1.292 -1.917 0 C-N-CA 126.069 1.748 . . . . 0.0 113.717 174.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -57.54 -16.13 22.74 Favored 'Trans proline' 0 N--CA 1.498 1.774 0 CA-C-N 123.727 2.367 . . . . 0.0 113.678 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -44.31 -16.15 0.05 OUTLIER Glycine 0 C--N 1.361 1.955 0 O-C-N 117.976 -2.953 . . . . 0.0 117.608 168.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -142.78 173.49 11.49 Favored 'General case' 1 CA--C 1.631 4.089 0 O-C-N 125.393 1.29 . . . . 0.0 113.84 -162.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -156.44 -19.65 0.1 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 125.238 1.415 . . . . 0.0 114.484 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -60.35 128.78 38.4 Favored 'General case' 0 CA--C 1.599 2.832 0 CA-C-N 120.675 1.579 . . . . 0.0 115.044 155.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 15.6 pt -44.26 -36.01 1.17 Allowed 'Isoleucine or valine' 0 C--O 1.273 2.338 0 CA-C-O 114.438 -2.696 . . . . 0.0 113.747 161.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.5 m -65.13 -5.5 6.82 Favored 'General case' 0 N--CA 1.507 2.425 0 O-C-N 127.626 3.079 . . . . 0.0 115.286 174.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -140.75 -7.71 1.09 Allowed 'General case' 0 CA--C 1.588 2.408 0 N-CA-C 119.056 2.984 . . . . 0.0 119.056 172.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 74.1 m -64.35 144.8 56.9 Favored 'General case' 0 C--O 1.259 1.555 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 169.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -143.8 152.53 41.33 Favored 'General case' 0 C--N 1.387 2.239 0 N-CA-C 105.951 -1.87 . . . . 0.0 105.951 177.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' A' ' 84' ' ' ASP . 19.6 m-85 -134.41 168.4 19.0 Favored 'General case' 0 N--CA 1.513 2.701 0 CA-C-N 120.047 1.294 . . . . 0.0 113.404 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -147.56 149.7 33.08 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 127.332 2.253 . . . . 0.0 111.722 -176.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -76.39 143.73 40.48 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 125.477 1.511 . . . . 0.0 112.792 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -145.28 92.0 5.72 Favored Pre-proline 0 N--CA 1.509 2.521 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 178.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -70.26 170.86 16.16 Favored 'Trans proline' 0 C--O 1.264 1.788 1 C-N-CA 126.623 4.882 . . . . 0.0 110.946 176.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 178.53 176.59 46.55 Favored Glycine 0 CA--C 1.477 -2.287 0 C-N-CA 128.948 3.166 . . . . 0.0 108.34 172.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -144.15 97.44 3.05 Favored 'General case' 0 CA--C 1.563 1.46 0 CA-C-O 115.384 -2.246 . . . . 0.0 113.766 171.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 91.7 mtm-85 -134.13 160.28 38.28 Favored 'General case' 0 N--CA 1.511 2.623 0 C-N-CA 129.814 3.246 . . . . 0.0 112.178 -163.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . 0.291 29.4 m-85 -72.23 158.39 35.94 Favored 'General case' 0 CA--C 1.585 2.319 0 N-CA-C 106.703 -1.592 . . . . 0.0 106.703 164.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -141.77 166.12 25.61 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 113.031 -1.895 . . . . 0.0 112.919 -176.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.3 t -141.18 138.06 33.62 Favored 'Isoleucine or valine' 0 C--O 1.255 1.368 0 CA-C-N 114.503 -1.226 . . . . 0.0 113.238 -169.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.2 m -141.04 160.16 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.493 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -169.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -101.99 148.47 25.32 Favored 'General case' 0 C--O 1.269 2.09 0 C-N-CA 116.889 -1.924 . . . . 0.0 109.969 160.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 85.6 m -126.33 168.43 14.16 Favored 'General case' 0 N--CA 1.399 -3.013 0 O-C-N 118.746 -2.471 . . . . 0.0 104.674 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -144.45 169.22 18.36 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 113.843 -1.526 . . . . 0.0 112.738 -176.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . 0.281 31.4 t30 -65.64 147.42 53.42 Favored 'General case' 0 CA--C 1.552 1.057 0 O-C-N 117.738 -3.101 . . . . 0.0 112.454 167.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.98 136.01 2.23 Favored 'General case' 0 CA--C 1.578 2.02 0 C-N-CA 131.246 3.819 . . . . 0.0 115.917 165.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -50.25 146.42 8.69 Favored Pre-proline 0 N--CA 1.496 1.866 0 C-N-CA 127.563 2.345 . . . . 0.0 108.166 169.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -49.81 -28.28 17.56 Favored 'Trans proline' 0 N--CA 1.439 -1.714 0 C-N-CA 124.533 3.488 . . . . 0.0 116.304 175.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 69.7 mtt85 -130.5 -36.77 1.43 Allowed 'General case' 0 CA--C 1.571 1.76 0 CA-C-N 120.554 1.524 . . . . 0.0 112.965 -164.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -94.47 141.23 28.83 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 124.607 1.192 . . . . 0.0 108.61 -171.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.8 m 40.54 69.87 1.74 Allowed Pre-proline 0 C--N 1.31 -1.149 0 N-CA-C 119.669 3.211 . . . . 0.0 119.669 178.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -75.11 -27.89 9.45 Favored 'Trans proline' 0 CA--C 1.557 1.659 0 N-CA-C 119.389 2.803 . . . . 0.0 119.389 -177.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.54 -13.8 54.39 Favored 'General case' 0 C--O 1.211 -0.93 0 C-N-CA 124.003 0.921 . . . . 0.0 112.019 -168.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -89.92 113.67 57.91 Favored Pre-proline 0 C--N 1.289 -2.023 0 C-N-CA 126.834 2.054 . . . . 0.0 106.874 174.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -69.28 -20.3 37.27 Favored 'Trans proline' 0 CA--C 1.575 2.542 0 CA-C-N 120.74 1.3 . . . . 0.0 108.932 -174.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.2 m -151.71 160.94 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 127.987 2.515 . . . . 0.0 104.53 -172.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 20.6 m -145.87 141.2 16.43 Favored Pre-proline 0 C--N 1.347 0.492 0 C-N-CA 130.13 3.372 . . . . 0.0 115.353 -171.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.86 143.59 45.94 Favored 'Trans proline' 0 C--N 1.362 1.273 1 C-N-CA 125.339 4.026 . . . . 0.0 109.043 178.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.502 HG12 ' HG3' ' A' ' 7' ' ' ARG . 3.0 m -142.56 -19.11 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.612 3.357 0 CA-C-N 120.736 1.607 . . . . 0.0 112.542 -169.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -148.87 139.73 22.87 Favored 'General case' 0 CA--C 1.592 2.578 0 O-C-N 124.317 1.01 . . . . 0.0 110.698 176.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 24.3 tp -106.03 122.53 46.34 Favored 'General case' 0 N--CA 1.508 2.458 0 CA-C-O 115.75 -2.071 . . . . 0.0 108.602 170.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -95.44 -50.5 4.97 Favored 'General case' 0 N--CA 1.423 -1.793 0 O-C-N 126.761 2.538 . . . . 0.0 117.409 177.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . 0.299 9.1 t -162.61 167.44 23.24 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-N 120.176 1.353 . . . . 0.0 107.634 -176.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 19.0 p -133.07 129.62 38.27 Favored 'General case' 0 CA--C 1.591 2.529 0 C-N-CA 128.617 2.767 . . . . 0.0 112.392 173.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.254 0.0 OUTLIER . . . . . 0 C--N 1.401 2.807 0 O-C-N 118.857 -2.402 . . . . 0.0 109.482 -163.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 203' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 29.3 ttt85 . . . . . 0 N--CA 1.504 2.27 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -56.88 163.56 7.28 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 122.677 2.252 . . . . 0.0 115.642 168.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 99.6 Cg_exo -50.31 -31.37 29.51 Favored 'Trans proline' 0 N--CA 1.533 3.819 0 C-N-CA 124.398 3.399 . . . . 0.0 115.495 177.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.3 13.9 pt20 -145.28 -2.61 0.77 Allowed 'General case' 0 C--O 1.257 1.48 0 CA-C-N 121.45 1.932 . . . . 0.0 109.376 -176.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -133.44 169.88 16.31 Favored 'General case' 0 N--CA 1.504 2.258 0 CA-C-N 122.259 2.3 . . . . 0.0 111.168 -170.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.5 p -80.96 177.88 8.77 Favored 'General case' 0 N--CA 1.504 2.271 0 CA-C-N 120.79 1.632 . . . . 0.0 107.679 154.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -67.63 -35.66 79.35 Favored 'General case' 0 C--O 1.263 1.81 0 CA-C-N 114.894 -1.048 . . . . 0.0 112.728 177.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . 0.253 . . -77.97 -32.56 51.45 Favored 'General case' 0 C--N 1.371 1.52 0 O-C-N 124.758 1.286 . . . . 0.0 111.831 179.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -64.43 -46.44 83.19 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 127.364 2.266 . . . . 0.0 109.66 169.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -68.83 -33.89 74.58 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 118.2 -2.812 . . . . 0.0 110.467 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -68.2 -34.08 75.6 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 117.457 -1.259 . . . . 0.0 113.858 176.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.4 -73.54 0.04 OUTLIER 'General case' 0 N--CA 1.512 2.633 0 C-N-CA 125.206 1.402 . . . . 0.0 111.011 164.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.3 mt -46.06 -41.08 3.93 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 O-C-N 127.65 3.094 . . . . 0.0 109.312 -168.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -81.16 -17.99 47.88 Favored 'General case' 0 C--O 1.274 2.351 0 O-C-N 125.013 1.446 . . . . 0.0 113.274 -174.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.406 ' O ' HD13 ' A' ' 16' ' ' ILE . 76.2 m-70 -156.95 -11.05 0.09 Allowed 'General case' 0 C--O 1.189 -2.106 0 N-CA-C 119.296 3.073 . . . . 0.0 119.296 -156.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.406 HD13 ' O ' ' A' ' 15' ' ' HIS . 40.4 mm -132.33 121.65 46.34 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.506 0 O-C-N 118.058 -2.901 . . . . 0.0 104.534 -179.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.3 m -158.21 129.83 6.71 Favored 'General case' 0 N--CA 1.412 -2.357 0 C-N-CA 129.305 3.042 . . . . 0.0 108.88 168.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.296 21.7 tp -73.68 -33.77 64.59 Favored 'General case' 0 N--CA 1.534 3.734 0 CA-C-N 114.103 -1.408 . . . . 0.0 112.211 -172.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . 0.255 9.6 p-10 -134.68 76.56 60.22 Favored Pre-proline 0 N--CA 1.498 1.956 0 N-CA-C 114.247 1.202 . . . . 0.0 114.247 167.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.85 164.25 35.08 Favored 'Trans proline' 0 N--CA 1.52 3.031 0 C-N-CA 117.516 -1.189 . . . . 0.0 113.603 -169.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.88 176.88 6.28 Favored 'Trans proline' 0 C--O 1.198 -1.492 0 O-C-N 125.269 2.194 . . . . 0.0 109.324 169.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -65.4 160.45 21.93 Favored 'General case' 0 C--N 1.361 1.068 0 O-C-N 116.51 -3.869 . . . . 0.0 112.364 172.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 93.9 m -58.63 -38.01 77.13 Favored 'General case' 0 C--O 1.208 -1.132 0 CA-C-N 113.213 -1.812 . . . . 0.0 115.86 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.6 p -34.74 -32.61 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 120.014 3.338 . . . . 0.0 120.014 160.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.7 mm -116.51 -36.21 1.99 Allowed 'Isoleucine or valine' 0 C--O 1.265 1.894 0 CA-C-O 114.832 -2.509 . . . . 0.0 113.11 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.81 -20.84 64.33 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-N 124.203 3.183 . . . . 0.0 113.678 175.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 47.0 mmm -69.57 -28.26 65.83 Favored 'General case' 0 N--CA 1.414 -2.232 0 C-N-CA 119.089 -1.045 . . . . 0.0 113.363 176.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -58.92 -37.02 75.73 Favored 'General case' 0 N--CA 1.512 2.645 0 C-N-CA 128.005 2.522 . . . . 0.0 111.674 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . 0.401 . . -49.65 -27.74 5.03 Favored 'General case' 0 C--N 1.364 1.207 0 CA-C-N 121.217 1.826 . . . . 0.0 111.965 175.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . 0.265 0.1 OUTLIER -109.32 -61.87 2.36 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.377 0 O-C-N 120.444 -1.41 . . . . 0.0 109.022 170.339 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -65.62 -7.38 14.75 Favored 'General case' 0 N--CA 1.414 -2.256 0 CA-C-N 124.032 3.105 . . . . 0.0 117.322 -169.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -116.92 16.66 15.14 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 118.074 -2.892 . . . . 0.0 109.353 175.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -137.85 -36.33 0.62 Allowed 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 126.727 2.011 . . . . 0.0 111.954 -169.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -95.76 163.33 13.22 Favored 'General case' 0 N--CA 1.414 -2.273 0 C-N-CA 127.42 2.288 . . . . 0.0 111.962 169.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -68.07 -20.08 64.93 Favored 'General case' 0 CA--C 1.569 1.698 0 O-C-N 119.318 -2.114 . . . . 0.0 114.569 -158.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -145.34 163.19 35.31 Favored 'General case' 0 C--N 1.37 1.492 0 C-N-CA 128.642 2.777 . . . . 0.0 114.859 -178.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.6 m -63.04 121.17 12.93 Favored 'General case' 0 CA--C 1.577 2.016 0 O-C-N 119.419 -2.051 . . . . 0.0 116.322 168.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.481 ' HG2' ' HN ' ' A' ' 203' ' ' SGN . 35.1 tttt -70.8 139.59 51.0 Favored 'General case' 1 N--CA 1.562 5.169 0 C-N-CA 125.37 1.468 . . . . 0.0 109.418 159.201 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -72.22 -42.76 65.37 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-O 117.673 -1.156 . . . . 0.0 113.652 -177.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -148.61 158.82 44.39 Favored 'General case' 0 CA--C 1.561 1.385 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -168.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -169.76 144.92 2.94 Favored 'General case' 0 C--O 1.199 -1.599 0 O-C-N 120.078 -1.639 . . . . 0.0 110.912 -177.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.4 m -111.78 145.45 39.37 Favored 'General case' 0 C--O 1.201 -1.478 0 C-N-CA 126.408 1.883 . . . . 0.0 110.691 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -133.11 143.72 49.47 Favored 'General case' 0 N--CA 1.51 2.533 0 C-N-CA 127.13 2.172 . . . . 0.0 108.871 177.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.0 mt -107.97 139.97 41.8 Favored 'General case' 0 C--N 1.387 2.231 0 O-C-N 124.633 1.208 . . . . 0.0 109.827 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -90.06 86.39 6.56 Favored 'General case' 0 C--N 1.366 1.307 0 CA-C-O 123.337 1.541 . . . . 0.0 109.33 172.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.2 t -160.25 -167.72 2.0 Allowed 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 112.436 -2.166 . . . . 0.0 109.296 -170.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . 0.252 69.0 p -136.0 158.55 44.13 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.95 1.7 . . . . 0.0 108.8 -165.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -71.23 -55.88 7.19 Favored 'General case' 0 CA--C 1.579 2.077 0 C-N-CA 116.127 -2.229 . . . . 0.0 112.841 -165.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.22 -21.33 59.36 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.114 1.366 . . . . 0.0 112.282 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -65.55 -35.12 79.91 Favored 'General case' 0 CA--C 1.589 2.461 0 CA-C-O 115.56 -2.162 . . . . 0.0 114.284 161.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.0 t -84.82 -26.96 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.926 0 CA-C-O 114.756 -2.545 . . . . 0.0 107.406 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 97.4 t -59.29 -40.69 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.936 0 CA-C-N 120.784 1.629 . . . . 0.0 110.183 166.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -68.8 -9.72 52.66 Favored 'General case' 0 CA--C 1.619 3.622 1 O-C-N 115.432 -4.543 . . . . 0.0 110.202 -178.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.7 t -89.97 -31.68 5.33 Favored 'Isoleucine or valine' 0 C--N 1.394 2.541 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 173.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 78.4 m -61.19 -25.26 66.91 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-O 115.919 -1.991 . . . . 0.0 112.006 155.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -93.73 -16.51 45.13 Favored Glycine 0 C--O 1.273 2.585 0 O-C-N 128.406 3.566 . . . . 0.0 114.634 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -61.27 162.55 7.48 Favored 'General case' 0 CA--C 1.59 2.505 0 N-CA-C 102.648 -3.093 . . . . 0.0 102.648 160.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . 0.255 52.9 mt-30 -57.25 147.74 24.52 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 114.458 -2.687 . . . . 0.0 114.256 -177.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 m -64.85 152.0 44.05 Favored 'General case' 0 C--O 1.269 2.098 0 N-CA-C 117.118 2.266 . . . . 0.0 117.118 173.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.2 pt -151.04 178.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.258 0 C-N-CA 125.947 1.699 . . . . 0.0 107.426 169.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.4 ptt-85 -134.53 144.29 47.92 Favored 'General case' 0 C--N 1.361 1.077 1 O-C-N 115.489 -4.507 . . . . 0.0 111.156 172.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 57.5 m -113.5 170.53 5.24 Favored Pre-proline 0 CA--C 1.61 3.27 0 N-CA-C 116.693 2.108 . . . . 0.0 116.693 -162.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -83.53 -1.54 10.19 Favored 'Trans proline' 0 N--CA 1.529 3.606 0 C-N-CA 125.286 3.99 . . . . 0.0 115.535 -173.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -132.87 22.3 4.2 Favored 'General case' 0 C--N 1.286 -2.19 0 C-N-CA 124.022 0.929 . . . . 0.0 109.223 -175.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -129.46 8.21 5.42 Favored 'General case' 0 N--CA 1.513 2.691 0 C-N-CA 126.281 1.832 . . . . 0.0 115.342 -158.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.8 ptt-85 -43.56 -36.42 2.08 Favored 'General case' 0 C--O 1.217 -0.623 0 C-N-CA 127.407 2.283 . . . . 0.0 115.561 -177.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.0 p -51.8 -38.71 56.8 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 128.689 2.795 . . . . 0.0 111.913 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.362 2.3 pt? -128.5 -10.1 5.11 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 113.713 -3.042 . . . . 0.0 114.306 176.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.9 t30 57.17 25.87 11.48 Favored 'General case' 0 N--CA 1.434 -1.225 0 O-C-N 126.64 2.462 . . . . 0.0 115.021 167.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -152.31 136.59 16.65 Favored 'General case' 0 N--CA 1.438 -1.033 0 O-C-N 117.725 -3.109 . . . . 0.0 106.457 -175.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.1 p -155.66 178.44 10.25 Favored 'General case' 0 C--N 1.365 1.276 0 CA-C-O 117.152 -1.404 . . . . 0.0 110.655 -172.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -152.78 154.52 35.35 Favored 'General case' 0 N--CA 1.408 -2.535 0 CA-C-O 124.488 2.09 . . . . 0.0 109.383 175.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -124.88 153.68 42.24 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 123.613 1.673 . . . . 0.0 111.323 173.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 94.7 p -65.9 164.8 14.26 Favored 'General case' 0 N--CA 1.515 2.822 0 CA-C-N 114.196 -1.366 . . . . 0.0 113.973 -175.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 47.6 mtt-85 -101.47 -18.01 16.18 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 114.522 -1.217 . . . . 0.0 113.988 -172.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -138.68 168.76 19.1 Favored 'General case' 0 CA--C 1.605 3.06 0 O-C-N 127.252 2.845 . . . . 0.0 111.31 172.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.4 mtm180 -67.82 148.85 50.65 Favored 'General case' 0 C--O 1.2 -1.523 0 O-C-N 118.111 -2.868 . . . . 0.0 112.513 163.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.2 m -131.09 153.24 81.69 Favored Pre-proline 0 N--CA 1.512 2.627 0 O-C-N 118.61 -2.557 . . . . 0.0 112.981 173.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -70.4 161.57 45.53 Favored 'Trans proline' 0 CA--C 1.483 -2.039 0 CA-C-N 124.202 2.536 . . . . 0.0 112.795 169.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 pp -155.67 176.28 12.82 Favored 'General case' 0 CA--C 1.562 1.434 0 O-C-N 126.77 2.543 . . . . 0.0 115.839 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 44.2 tp -132.22 141.72 49.16 Favored 'General case' 0 CA--C 1.576 1.974 0 C-N-CA 128.317 2.647 . . . . 0.0 110.44 168.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -120.46 156.58 31.17 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 105.885 -1.894 . . . . 0.0 105.885 162.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 91.2 m -129.59 144.5 51.3 Favored 'General case' 0 CA--C 1.487 -1.442 0 CA-C-N 113.886 -1.506 . . . . 0.0 107.285 -170.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -129.25 118.46 22.38 Favored 'General case' 0 C--O 1.274 2.351 0 C-N-CA 127.274 2.23 . . . . 0.0 111.912 -169.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.6 tp -68.61 107.6 3.02 Favored 'General case' 0 C--O 1.189 -2.096 0 CA-C-N 121.076 1.762 . . . . 0.0 111.025 169.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.4 pt -80.99 9.74 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.581 2.162 0 CA-C-O 122.816 1.294 . . . . 0.0 111.266 -175.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -130.52 66.42 78.4 Favored Pre-proline 0 N--CA 1.533 3.725 0 O-C-N 120.094 -1.629 . . . . 0.0 111.542 175.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -59.38 -17.69 41.74 Favored 'Trans proline' 0 N--CA 1.509 2.441 0 C-N-CA 124.447 3.431 . . . . 0.0 118.821 -154.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -103.34 -15.27 23.76 Favored Glycine 0 N--CA 1.511 3.698 1 C-N-CA 131.561 4.41 . . . . 0.0 116.211 174.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.29 149.66 28.15 Favored 'General case' 1 N--CA 1.544 4.226 0 CA-C-N 121.304 2.552 . . . . 0.0 112.191 160.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -144.59 3.33 1.12 Allowed 'General case' 0 N--CA 1.425 -1.722 0 C-N-CA 127.336 2.254 . . . . 0.0 110.958 -172.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -127.07 129.07 47.29 Favored 'General case' 0 N--CA 1.504 2.251 0 C-N-CA 129.383 3.073 . . . . 0.0 111.493 175.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 29.9 pt -56.28 -14.92 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 172.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.0 m -55.97 -14.97 2.86 Favored 'General case' 0 CA--C 1.586 2.334 1 O-C-N 114.846 -4.909 . . . . 0.0 115.47 161.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -148.71 -4.45 0.44 Allowed 'General case' 0 CA--C 1.596 2.724 0 O-C-N 120.297 -1.502 . . . . 0.0 111.535 177.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 72.4 m -66.38 133.55 50.72 Favored 'General case' 0 CA--C 1.583 2.243 0 O-C-N 119.38 -2.075 . . . . 0.0 113.261 171.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -130.65 163.7 26.62 Favored 'General case' 0 CA--C 1.574 1.888 0 O-C-N 120.556 -1.34 . . . . 0.0 109.855 173.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -133.22 163.2 29.81 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.668 1.987 . . . . 0.0 112.766 -167.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -143.62 -175.87 4.74 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 116.991 -1.48 . . . . 0.0 111.184 159.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -116.59 140.34 49.5 Favored 'General case' 0 N--CA 1.52 3.067 0 C-N-CA 127.538 2.335 . . . . 0.0 108.644 -166.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -131.82 83.63 56.73 Favored Pre-proline 0 C--N 1.274 -2.714 0 CA-C-N 113.934 -1.484 . . . . 0.0 114.997 162.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -56.46 142.36 89.38 Favored 'Trans proline' 0 C--N 1.382 2.298 1 C-N-CA 125.73 4.287 . . . . 0.0 114.425 168.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -168.45 -164.24 23.81 Favored Glycine 0 C--O 1.203 -1.791 0 O-C-N 125.794 1.934 . . . . 0.0 111.989 -178.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -160.32 104.45 1.45 Allowed 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 116.7 -1.619 . . . . 0.0 108.939 -166.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 39.9 mtm-85 -141.13 169.88 16.78 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 116.304 1.965 . . . . 0.0 116.304 -170.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -73.28 166.08 23.84 Favored 'General case' 0 N--CA 1.538 3.957 0 CA-C-N 112.304 -2.226 . . . . 0.0 111.479 156.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.423 ' HB3' HG22 ' A' ' 132' ' ' THR . 21.1 p90 -148.01 171.95 15.0 Favored 'General case' 0 C--O 1.206 -1.196 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 175.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.8 t -138.1 119.5 17.37 Favored 'Isoleucine or valine' 0 C--O 1.305 3.987 1 C-N-CA 132.812 4.445 . . . . 0.0 109.797 -171.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.8 m -129.41 165.48 29.28 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.412 0 C-N-CA 126.761 2.024 . . . . 0.0 111.257 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -120.25 152.26 38.01 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 117.715 -3.116 . . . . 0.0 111.637 165.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 74.4 m -142.5 157.76 44.4 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 126.492 2.37 . . . . 0.0 111.554 -163.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -150.15 -179.77 7.45 Favored 'General case' 0 CA--C 1.585 2.309 0 CA-C-N 113.16 -1.836 . . . . 0.0 112.574 -170.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -67.06 148.3 52.08 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 123.417 0.687 . . . . 0.0 109.828 175.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -52.21 156.53 1.63 Allowed 'General case' 0 N--CA 1.495 1.819 0 CA-C-O 127.743 3.64 . . . . 0.0 109.25 178.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -62.14 144.16 94.63 Favored Pre-proline 0 CA--C 1.599 2.863 0 O-C-N 118.676 -2.515 . . . . 0.0 109.159 161.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -54.41 -19.09 16.32 Favored 'Trans proline' 0 N--CA 1.534 3.877 0 CA-C-O 111.32 -3.7 . . . . 0.0 116.517 172.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -139.49 -23.54 0.88 Allowed 'General case' 0 N--CA 1.516 2.84 1 CA-C-N 128.244 5.02 . . . . 0.0 115.31 172.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -75.35 146.38 40.95 Favored 'General case' 0 C--N 1.406 3.055 0 O-C-N 120.659 -1.275 . . . . 0.0 110.427 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.4 m 44.55 66.57 4.88 Favored Pre-proline 0 N--CA 1.506 2.351 0 N-CA-C 116.834 2.161 . . . . 0.0 116.834 170.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.26 -12.02 25.18 Favored 'Trans proline' 0 N--CA 1.5 1.881 0 N-CA-C 121.097 3.46 . . . . 0.0 121.097 -170.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -70.37 -21.86 62.83 Favored 'General case' 0 CA--C 1.574 1.879 0 CA-C-O 121.495 0.664 . . . . 0.0 111.448 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -110.33 95.59 22.86 Favored Pre-proline 0 C--O 1.262 1.763 0 O-C-N 117.65 -3.156 . . . . 0.0 111.345 -171.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -58.68 -24.51 71.19 Favored 'Trans proline' 0 N--CA 1.443 -1.478 0 C-N-CA 124.35 3.366 . . . . 0.0 116.905 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 35.0 m -128.2 144.76 36.78 Favored 'Isoleucine or valine' 0 C--N 1.374 1.661 0 O-C-N 126.227 2.204 . . . . 0.0 111.974 169.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 3.3 m -148.5 154.59 41.58 Favored Pre-proline 0 N--CA 1.519 3.007 0 C-N-CA 127.321 2.249 . . . . 0.0 111.041 -169.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -72.68 144.53 39.78 Favored 'Trans proline' 1 CA--C 1.429 -4.737 0 O-C-N 128.547 3.92 . . . . 0.0 110.705 178.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 19.1 m -131.18 -15.73 1.57 Allowed 'Isoleucine or valine' 0 CA--C 1.586 2.332 0 O-C-N 125.675 1.859 . . . . 0.0 112.288 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.491 ' CE1' ' HN9' ' A' ' 201' ' ' LVZ . 2.5 t60 -153.79 155.49 35.94 Favored 'General case' 0 N--CA 1.505 2.277 2 O-C-N 116.231 -4.043 . . . . 0.0 119.762 -174.829 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 15.4 tp -138.43 142.0 39.52 Favored 'General case' 0 N--CA 1.506 2.332 0 N-CA-C 105.162 -2.162 . . . . 0.0 105.162 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -122.82 -34.12 3.26 Favored 'General case' 0 CA--C 1.576 1.954 0 N-CA-C 119.061 2.985 . . . . 0.0 119.061 -170.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.2 t -160.61 170.99 19.73 Favored 'General case' 0 CA--C 1.562 1.438 0 CA-C-N 113.323 -1.762 . . . . 0.0 111.754 -170.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.423 HG22 ' HB3' ' A' ' 107' ' ' TYR . 82.3 p -144.39 141.78 29.91 Favored 'General case' 0 N--CA 1.491 1.581 1 C-N-CA 133.386 4.674 . . . . 0.0 116.508 155.794 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.501 2.101 0 CA-C-N 122.406 2.366 . . . . 0.0 108.519 -153.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' LVZ . . . . . 0.491 ' HN9' ' CE1' ' A' ' 128' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 203' ' ' SGN . . . . . 0.481 ' HN ' ' HG2' ' A' ' 38' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 . . . . . 0 N--CA 1.513 2.723 0 CA-C-O 120.634 0.254 . . . . 0.0 111.648 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -58.78 156.77 31.07 Favored 'Trans proline' 0 C--N 1.377 2.037 0 CA-C-O 117.545 -1.106 . . . . 0.0 109.795 174.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -55.37 -28.86 65.36 Favored 'Trans proline' 0 CA--C 1.551 1.342 1 C-N-CA 129.84 7.027 . . . . 0.0 120.926 -175.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.336 4.5 pt20 -145.51 2.91 0.98 Allowed 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 176.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -114.23 171.96 7.3 Favored 'General case' 0 CA--C 1.589 2.446 0 O-C-N 119.811 -1.805 . . . . 0.0 111.823 171.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.0 p -91.11 158.7 16.5 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 158.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -60.76 -44.08 97.19 Favored 'General case' 0 C--N 1.367 1.343 0 O-C-N 117.421 -3.299 . . . . 0.0 112.063 -176.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.49 -38.42 53.86 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 128.249 2.619 . . . . 0.0 115.898 168.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -68.08 -50.86 52.38 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 126.216 1.807 . . . . 0.0 110.73 175.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -68.98 -34.17 74.87 Favored 'General case' 0 C--N 1.371 1.521 0 CA-C-N 114.077 -1.419 . . . . 0.0 110.801 -173.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -49.98 -55.61 13.91 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.688 1.195 . . . . 0.0 112.215 166.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.28 -44.14 80.05 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 128.94 2.896 . . . . 0.0 111.452 -177.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.2 mt -62.75 -26.97 42.07 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.434 0 CA-C-O 122.825 1.298 . . . . 0.0 112.302 176.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -82.47 -29.85 30.34 Favored 'General case' 0 N--CA 1.486 1.363 1 CA-C-O 111.311 -4.185 . . . . 0.0 116.423 170.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -144.22 -6.69 0.73 Allowed 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 118.886 2.921 . . . . 0.0 118.886 -165.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 8.6 mm -135.73 107.35 7.1 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 C-N-CA 127.145 2.178 . . . . 0.0 109.755 -171.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 m -152.87 110.89 3.63 Favored 'General case' 0 CA--C 1.566 1.576 0 C-N-CA 129.099 2.96 . . . . 0.0 109.165 -174.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.3 tp -59.93 -36.63 77.44 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 123.358 2.799 . . . . 0.0 113.999 -175.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -144.42 48.74 0.91 Allowed Pre-proline 0 CA--C 1.574 1.884 0 C-N-CA 128.456 2.702 . . . . 0.0 108.59 -157.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -72.22 158.76 51.27 Favored 'Trans proline' 0 N--CA 1.435 -1.92 0 C-N-CA 122.36 2.04 . . . . 0.0 115.269 -167.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -68.67 176.34 6.03 Favored 'Trans proline' 0 CA--C 1.574 2.478 1 C-N-CA 125.59 4.193 . . . . 0.0 109.246 170.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -56.85 155.59 7.7 Favored 'General case' 1 N--CA 1.552 4.63 0 CA-C-N 114.117 -1.401 . . . . 0.0 113.291 162.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 62.3 m -54.03 -32.35 54.07 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 128.062 2.545 . . . . 0.0 116.179 169.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 45.3 p -37.99 -24.28 0.01 OUTLIER 'General case' 0 CA--C 1.588 2.435 0 CA-C-N 123.574 2.897 . . . . 0.0 114.435 160.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 37.5 mm -128.92 -35.46 0.69 Allowed 'Isoleucine or valine' 0 C--O 1.252 1.207 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 -166.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.16 -33.5 75.9 Favored 'General case' 0 CA--C 1.578 2.045 0 CA-C-O 115.702 -2.094 . . . . 0.0 110.832 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 58.6 mmm -73.44 -19.37 60.98 Favored 'General case' 0 C--O 1.257 1.466 0 O-C-N 128.012 3.32 . . . . 0.0 109.047 -177.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.33 -32.1 73.43 Favored 'General case' 0 C--N 1.404 2.941 0 CA-C-N 122.377 2.353 . . . . 0.0 111.057 170.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.84 -24.62 1.04 Allowed 'General case' 0 N--CA 1.443 -0.819 1 O-C-N 115.925 -4.234 . . . . 0.0 121.412 169.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -121.84 -38.34 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.422 -1.853 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 173.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -76.38 -0.42 22.66 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 116.66 -3.775 . . . . 0.0 119.652 -176.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -121.74 -4.49 9.19 Favored 'General case' 0 CA--C 1.598 2.821 0 N-CA-C 116.985 2.217 . . . . 0.0 116.985 166.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -77.18 -27.43 53.63 Favored 'General case' 0 C--O 1.211 -0.968 0 O-C-N 126.83 2.582 . . . . 0.0 112.859 164.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 61.5 mtt85 -135.7 165.51 25.4 Favored 'General case' 0 C--N 1.405 2.982 0 O-C-N 118.61 -2.557 . . . . 0.0 110.597 -167.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 -54.06 -29.74 45.29 Favored 'General case' 0 CA--C 1.487 -1.466 0 N-CA-C 120.985 3.698 . . . . 0.0 120.985 -171.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -137.57 157.17 47.09 Favored 'General case' 0 N--CA 1.518 2.963 1 C-N-CA 131.988 4.115 . . . . 0.0 113.291 -177.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.2 m -42.96 113.01 0.42 Allowed 'General case' 0 C--N 1.363 1.178 0 N-CA-C 116.447 2.018 . . . . 0.0 116.447 157.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.427 ' CE ' ' HN ' ' A' ' 203' ' ' SGN . 20.7 tttt -53.82 129.0 32.1 Favored 'General case' 0 C--O 1.181 -2.52 0 C-N-CA 128.467 2.707 . . . . 0.0 111.173 154.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -79.25 -31.79 43.59 Favored 'General case' 0 N--CA 1.41 -2.474 0 CA-C-N 121.838 2.108 . . . . 0.0 112.976 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -144.51 156.69 44.29 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 104.751 -2.315 . . . . 0.0 104.751 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -162.12 147.0 12.68 Favored 'General case' 0 CA--C 1.559 1.292 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 170.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.7 m -119.42 130.32 55.22 Favored 'General case' 0 C--N 1.372 1.587 0 C-N-CA 126.471 1.909 . . . . 0.0 107.845 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -118.96 133.46 55.81 Favored 'General case' 0 CA--C 1.569 1.702 0 C-N-CA 130.438 3.495 . . . . 0.0 114.865 174.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.0 mt -110.23 142.43 41.8 Favored 'General case' 0 CA--C 1.596 2.72 0 CA-C-N 123.137 2.699 . . . . 0.0 113.022 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -98.07 68.85 2.01 Favored 'General case' 0 N--CA 1.509 2.477 0 CA-C-O 122.107 0.956 . . . . 0.0 112.558 -174.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.3 t -142.68 158.68 43.4 Favored 'General case' 0 CA--C 1.568 1.661 0 C-N-CA 126.761 2.024 . . . . 0.0 112.806 171.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . 0.292 42.5 p -71.45 147.88 47.41 Favored 'General case' 0 C--O 1.167 -3.279 0 N-CA-C 117.964 2.579 . . . . 0.0 117.964 173.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -54.03 -41.16 67.72 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 118.156 -0.926 . . . . 0.0 111.845 -172.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.71 -20.97 57.99 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 127.418 2.287 . . . . 0.0 116.095 -176.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -71.94 -39.88 69.13 Favored 'General case' 0 C--O 1.257 1.483 0 CA-C-O 114.996 -2.431 . . . . 0.0 108.745 166.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.36 -30.38 49.63 Favored 'Isoleucine or valine' 0 C--O 1.17 -3.107 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 164.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.6 t -60.0 -38.77 78.06 Favored 'Isoleucine or valine' 0 C--O 1.271 2.217 0 C-N-CA 117.246 -1.781 . . . . 0.0 113.01 175.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -61.95 -26.43 68.19 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-O 116.461 -1.733 . . . . 0.0 115.204 170.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.8 t -66.74 -42.1 88.95 Favored 'Isoleucine or valine' 0 C--N 1.372 1.549 0 O-C-N 125.509 1.756 . . . . 0.0 110.606 167.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 84.1 m -62.56 -34.3 76.68 Favored 'General case' 0 C--N 1.371 1.525 0 C-N-CA 116.585 -2.046 . . . . 0.0 108.903 174.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.69 -20.94 53.89 Favored Glycine 1 CA--C 1.587 4.59 0 C-N-CA 124.702 1.144 . . . . 0.0 111.333 175.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -74.32 167.9 20.72 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 117.606 -3.291 . . . . 0.0 111.299 -177.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -45.67 141.44 2.87 Favored 'General case' 0 N--CA 1.529 3.514 1 O-C-N 116.011 -4.181 . . . . 0.0 116.465 -174.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.2 m -84.04 130.46 34.87 Favored 'General case' 0 CA--C 1.572 1.817 0 N-CA-C 114.228 1.195 . . . . 0.0 114.228 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 35.0 pt -137.04 -165.48 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.527 3.383 0 CA-C-O 123.135 1.445 . . . . 0.0 108.369 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.7 ptt-85 -128.68 176.79 7.52 Favored 'General case' 0 C--O 1.258 1.535 0 O-C-N 117.923 -2.986 . . . . 0.0 114.405 170.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.3 m -158.35 154.06 22.9 Favored Pre-proline 0 N--CA 1.444 -0.74 0 O-C-N 118.677 -2.515 . . . . 0.0 110.868 -153.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -70.11 -24.36 28.18 Favored 'Trans proline' 0 N--CA 1.439 -1.728 0 C-N-CA 122.648 2.232 . . . . 0.0 115.398 -166.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -130.47 44.05 3.02 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 117.742 -3.099 . . . . 0.0 111.547 -174.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -126.48 5.37 6.89 Favored 'General case' 0 C--O 1.267 2.022 0 O-C-N 118.405 -2.684 . . . . 0.0 113.978 -163.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -62.69 -16.11 55.72 Favored 'General case' 0 C--N 1.38 1.904 0 CA-C-O 116.645 -1.645 . . . . 0.0 110.741 -168.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.6 p -56.56 -6.09 0.27 Allowed 'General case' 0 N--CA 1.535 3.822 0 CA-C-N 123.902 3.047 . . . . 0.0 119.153 166.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.332 1.8 pt? -161.58 -16.33 0.04 OUTLIER 'General case' 0 CA--C 1.47 -2.134 0 C-N-CA 127.387 2.275 . . . . 0.0 116.457 176.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . 0.265 59.4 t30 55.8 33.15 20.93 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 121.382 1.901 . . . . 0.0 113.116 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -149.91 130.84 14.28 Favored 'General case' 0 CA--C 1.606 3.114 0 CA-C-O 122.365 1.079 . . . . 0.0 113.173 175.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 9.2 p -138.52 178.87 6.82 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 128.845 2.858 . . . . 0.0 106.795 168.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -139.35 160.11 40.59 Favored 'General case' 0 CA--C 1.589 2.467 1 C-N-CA 134.246 5.018 . . . . 0.0 109.73 175.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -135.87 144.5 45.63 Favored 'General case' 0 C--O 1.244 0.764 0 O-C-N 120.802 -1.186 . . . . 0.0 111.976 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.8 p -57.28 144.83 34.1 Favored 'General case' 0 CA--C 1.578 2.031 0 C-N-CA 127.622 2.369 . . . . 0.0 114.021 -167.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 80.2 mtt-85 -73.9 -15.82 61.13 Favored 'General case' 0 N--CA 1.51 2.57 0 C-N-CA 124.882 1.273 . . . . 0.0 114.003 -175.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -159.61 167.37 28.63 Favored 'General case' 0 CA--C 1.556 1.178 1 C-N-CA 132.189 4.196 . . . . 0.0 112.13 -175.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -81.15 152.99 27.5 Favored 'General case' 0 CA--C 1.487 -1.447 0 O-C-N 125.369 1.668 . . . . 0.0 109.902 177.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.7 m -121.16 153.41 58.01 Favored Pre-proline 0 CA--C 1.469 -2.16 0 CA-C-O 116.843 -1.551 . . . . 0.0 106.926 177.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -64.0 153.11 77.82 Favored 'Trans proline' 0 N--CA 1.42 -2.826 0 C-N-CA 121.369 1.379 . . . . 0.0 110.084 156.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 pp -150.47 179.51 8.09 Favored 'General case' 0 CA--C 1.571 1.782 0 C-N-CA 129.498 3.119 . . . . 0.0 116.131 175.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.2 tp -140.66 102.59 4.34 Favored 'General case' 0 C--N 1.308 -1.197 0 C-N-CA 125.913 1.685 . . . . 0.0 107.247 177.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -76.83 138.23 39.7 Favored 'General case' 0 CA--C 1.554 1.096 0 CA-C-O 125.543 2.592 . . . . 0.0 115.281 152.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 89.4 m -123.51 138.15 54.63 Favored 'General case' 0 C--O 1.277 2.517 0 CA-C-N 112.544 -2.116 . . . . 0.0 108.961 -176.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -132.3 128.06 36.94 Favored 'General case' 0 CA--C 1.575 1.924 0 C-N-CA 129.877 3.271 . . . . 0.0 114.813 -166.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.0 tp -80.28 119.48 23.08 Favored 'General case' 0 C--N 1.367 1.354 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 172.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.458 5.4 pt -64.24 -6.45 2.75 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.916 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 -164.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -144.8 106.46 4.59 Favored Pre-proline 0 CA--C 1.569 1.697 0 C-N-CA 128.142 2.577 . . . . 0.0 107.806 -178.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -42.74 -35.35 4.13 Favored 'Trans proline' 0 CA--C 1.578 2.71 0 N-CA-C 116.102 1.539 . . . . 0.0 116.102 164.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -76.0 -10.54 85.15 Favored Glycine 0 CA--C 1.563 3.048 0 N-CA-C 118.303 2.081 . . . . 0.0 118.303 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.01 144.35 40.93 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 117.813 2.523 . . . . 0.0 117.813 173.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -144.23 -32.63 0.42 Allowed 'General case' 0 N--CA 1.531 3.588 0 C-N-CA 117.159 -1.816 . . . . 0.0 110.859 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -92.09 130.21 37.87 Favored 'General case' 0 C--O 1.251 1.16 0 C-N-CA 127.668 2.387 . . . . 0.0 108.632 177.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.267 2.3 pp -56.57 -23.75 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 CA-C-O 116.08 -1.915 . . . . 0.0 114.92 171.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . 0.267 16.7 m -57.36 -8.71 0.83 Allowed 'General case' 0 N--CA 1.51 2.529 0 CA-C-O 117.067 -1.444 . . . . 0.0 114.529 167.379 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -134.53 -36.14 0.88 Allowed 'General case' 0 CA--C 1.578 2.04 0 N-CA-C 117.302 2.334 . . . . 0.0 117.302 -170.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 74.1 m -53.1 132.04 37.53 Favored 'General case' 0 C--N 1.289 -2.058 0 C-N-CA 130.528 3.531 . . . . 0.0 117.387 175.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -135.29 151.29 50.41 Favored 'General case' 0 N--CA 1.525 3.3 0 C-N-CA 128.7 2.8 . . . . 0.0 115.355 -178.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -142.34 148.19 37.53 Favored 'General case' 0 C--N 1.364 1.21 0 CA-C-N 122.977 2.626 . . . . 0.0 108.499 -150.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -146.8 157.57 43.7 Favored 'General case' 0 C--O 1.255 1.365 0 CA-C-O 124.335 2.017 . . . . 0.0 113.008 -177.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -91.18 138.13 31.83 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 129.925 3.29 . . . . 0.0 117.373 -172.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -142.08 72.08 22.94 Favored Pre-proline 0 N--CA 1.5 2.071 0 C-N-CA 124.76 1.224 . . . . 0.0 112.6 172.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -64.68 165.24 21.32 Favored 'Trans proline' 0 C--O 1.293 3.253 0 C-N-CA 124.511 3.474 . . . . 0.0 108.767 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -179.67 -168.26 38.22 Favored Glycine 0 C--O 1.278 2.882 0 O-C-N 118.96 -2.338 . . . . 0.0 112.342 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -153.92 129.48 9.96 Favored 'General case' 0 N--CA 1.437 -1.076 0 C-N-CA 126.346 1.859 . . . . 0.0 112.039 175.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 90.0 mtm-85 -166.43 155.21 10.84 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 130.108 3.363 . . . . 0.0 114.522 -162.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -66.86 176.01 2.22 Favored 'General case' 1 N--CA 1.541 4.088 0 CA-C-O 124.844 2.259 . . . . 0.0 111.191 161.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.443 ' HB3' HG22 ' A' ' 132' ' ' THR . 14.9 p90 -156.67 162.91 39.81 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 118.091 -2.881 . . . . 0.0 112.552 175.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.2 t -132.14 117.93 34.77 Favored 'Isoleucine or valine' 0 C--N 1.368 1.381 0 C-N-CA 130.094 3.357 . . . . 0.0 109.334 -161.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 15.6 m -133.35 152.6 35.73 Favored 'Isoleucine or valine' 0 C--O 1.275 2.441 0 C-N-CA 127.91 2.484 . . . . 0.0 113.59 -172.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -103.58 167.07 10.03 Favored 'General case' 0 N--CA 1.434 -1.257 0 C-N-CA 126.811 2.044 . . . . 0.0 109.76 168.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 91.9 m -160.97 149.34 16.08 Favored 'General case' 0 N--CA 1.506 2.344 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.541 -159.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -155.75 169.91 23.27 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 104.809 -2.293 . . . . 0.0 104.809 -158.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -56.42 139.0 50.32 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-N 110.988 -2.824 . . . . 0.0 116.254 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -42.64 138.94 1.72 Allowed 'General case' 0 N--CA 1.504 2.239 0 C-N-CA 126.414 1.886 . . . . 0.0 111.689 167.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -49.72 147.14 6.57 Favored Pre-proline 0 C--N 1.284 -2.276 0 C-N-CA 128.418 2.687 . . . . 0.0 111.376 163.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -60.13 -19.75 58.06 Favored 'Trans proline' 0 N--CA 1.444 -1.41 0 C-N-CA 122.502 2.135 . . . . 0.0 116.798 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -135.34 -34.53 0.85 Allowed 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 113.082 -3.342 . . . . 0.0 109.881 178.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -75.94 141.16 42.34 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 123.395 2.816 . . . . 0.0 115.462 -170.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.0 m 37.36 58.68 4.18 Favored Pre-proline 0 C--O 1.275 2.421 0 N-CA-C 118.029 2.604 . . . . 0.0 118.029 -178.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -51.21 -29.63 29.96 Favored 'Trans proline' 0 N--CA 1.505 2.187 1 C-N-CA 126.431 4.754 . . . . 0.0 114.926 176.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -45.73 -26.78 0.69 Allowed 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 128.237 2.615 . . . . 0.0 115.831 175.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . 0.324 22.5 m-85 -113.02 89.13 13.18 Favored Pre-proline 0 CA--C 1.591 2.535 1 C-N-CA 131.973 4.109 . . . . 0.0 120.092 -170.5 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -48.36 -34.42 25.17 Favored 'Trans proline' 0 N--CA 1.509 2.408 0 CA-C-N 121.041 1.408 . . . . 0.0 114.274 -175.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 3.6 m -127.87 149.56 32.91 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.442 0 CA-C-O 114.767 -2.539 . . . . 0.0 112.554 177.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 27.5 m -126.45 143.23 45.43 Favored Pre-proline 0 N--CA 1.485 1.319 0 CA-C-N 122.672 2.487 . . . . 0.0 115.366 174.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -73.88 129.86 13.87 Favored 'Trans proline' 0 C--O 1.267 1.939 0 C-N-CA 124.314 3.343 . . . . 0.0 110.421 175.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 15.7 m -127.75 -16.91 2.63 Favored 'Isoleucine or valine' 0 C--O 1.177 -2.761 1 C-N-CA 133.651 4.78 . . . . 0.0 116.041 -171.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -146.92 157.08 43.54 Favored 'General case' 0 CA--C 1.592 2.593 0 CA-C-N 120.692 1.587 . . . . 0.0 111.759 173.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . 0.267 33.1 tp -140.21 129.32 23.61 Favored 'General case' 0 CA--C 1.576 1.943 0 C-N-CA 130.183 3.393 . . . . 0.0 110.051 -177.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -108.88 -39.65 5.26 Favored 'General case' 0 C--N 1.283 -2.315 0 CA-C-O 115.868 -2.015 . . . . 0.0 116.023 -176.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.6 t -153.27 166.96 30.92 Favored 'General case' 0 C--N 1.394 2.512 0 CA-C-O 128.431 3.967 . . . . 0.0 115.57 -178.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.443 HG22 ' HB3' ' A' ' 107' ' ' TYR . 44.0 p -126.41 140.15 52.71 Favored 'General case' 0 C--O 1.261 1.677 0 O-C-N 117.918 -2.989 . . . . 0.0 108.97 167.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.25 0.2 OUTLIER . . . . . 0 CA--C 1.558 1.288 0 O-C-N 127.332 2.895 . . . . 0.0 115.642 -172.069 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 203' ' ' SGN . . . . . 0.427 ' HN ' ' CE ' ' A' ' 38' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.5 ttt85 . . . . . 0 N--CA 1.507 2.381 0 CA-C-O 116.286 -1.816 . . . . 0.0 108.956 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -47.64 144.41 10.78 Favored 'Trans proline' 0 CA--C 1.581 2.85 1 C-N-CA 126.713 4.942 . . . . 0.0 109.219 -175.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -41.72 -28.67 0.72 Allowed 'Trans proline' 0 C--N 1.303 -1.863 0 C-N-CA 124.101 3.201 . . . . 0.0 118.83 -170.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -158.52 15.86 0.2 Allowed 'General case' 0 CA--C 1.547 0.839 1 N-CA-C 122.151 4.13 . . . . 0.0 122.151 -166.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -143.26 171.67 13.79 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 122.377 1.084 . . . . 0.0 108.746 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.446 HG23 ' NE2' ' A' ' 9' ' ' GLN . 2.8 p -62.07 157.12 19.69 Favored 'General case' 1 N--CA 1.571 5.6 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 158.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -66.28 -29.53 69.77 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 123.493 2.861 . . . . 0.0 113.164 177.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.07 -30.54 55.52 Favored 'General case' 0 C--N 1.383 2.033 0 C-N-CA 126.857 2.063 . . . . 0.0 110.574 175.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.446 ' NE2' HG23 ' A' ' 6' ' ' THR . 62.2 mt-30 -68.38 -52.05 37.34 Favored 'General case' 0 N--CA 1.518 2.967 0 O-C-N 118.815 -2.428 . . . . 0.0 105.532 177.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 6.2 t-105 -49.65 -50.21 44.11 Favored 'General case' 0 CA--C 1.596 2.737 0 N-CA-C 116.329 1.974 . . . . 0.0 116.329 173.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -49.12 -49.17 43.27 Favored 'General case' 0 C--N 1.282 -2.328 0 CA-C-O 115.023 -2.417 . . . . 0.0 112.967 172.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.13 -60.75 2.89 Favored 'General case' 0 C--N 1.391 2.405 1 C-N-CA 131.977 4.111 . . . . 0.0 110.713 173.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.8 mt -46.72 -32.54 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.513 2.691 0 CA-C-O 123.412 1.577 . . . . 0.0 115.185 -178.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -96.76 -22.76 16.77 Favored 'General case' 0 C--O 1.258 1.519 0 CA-C-O 115.04 -2.409 . . . . 0.0 111.82 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -144.48 -23.29 0.53 Allowed 'General case' 0 C--O 1.268 2.072 0 N-CA-C 118.121 2.637 . . . . 0.0 118.121 -164.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.1 mm -105.67 117.44 51.39 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.155 1 CA-C-N 126.096 4.044 . . . . 0.0 110.442 173.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.4 m -142.45 94.79 2.69 Favored 'General case' 0 C--N 1.343 0.284 0 N-CA-C 105.258 -2.127 . . . . 0.0 105.258 -171.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.4 tp -55.38 -34.68 64.54 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 124.75 2.214 . . . . 0.0 111.875 -176.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -153.58 79.94 5.26 Favored Pre-proline 0 CA--C 1.591 2.521 0 O-C-N 117.686 -3.134 . . . . 0.0 112.645 -168.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -68.02 161.74 42.93 Favored 'Trans proline' 0 N--CA 1.418 -2.96 0 O-C-N 125.277 2.198 . . . . 0.0 116.66 -158.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -86.0 169.3 8.96 Favored 'Trans proline' 0 N--CA 1.432 -2.101 1 C-N-CA 125.592 4.195 . . . . 0.0 111.155 160.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -55.94 146.06 23.29 Favored 'General case' 0 CA--C 1.581 2.157 0 O-C-N 118.751 -2.468 . . . . 0.0 112.823 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 6.8 m -54.62 -33.69 60.9 Favored 'General case' 0 CA--C 1.605 3.061 0 CA-C-N 121.315 1.871 . . . . 0.0 114.105 -176.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.1 p -51.08 -17.0 0.54 Allowed 'General case' 0 N--CA 1.537 3.923 1 C-N-CA 132.248 4.219 . . . . 0.0 114.844 166.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.9 mm -118.12 -40.59 2.33 Favored 'Isoleucine or valine' 0 C--O 1.248 1.021 0 O-C-N 127.624 3.077 . . . . 0.0 112.02 170.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.18 -45.7 75.78 Favored 'General case' 0 N--CA 1.505 2.278 0 CA-C-O 117.236 -1.364 . . . . 0.0 113.015 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 66.7 mmm -62.24 -25.25 67.72 Favored 'General case' 0 N--CA 1.442 -0.873 0 O-C-N 126.674 2.483 . . . . 0.0 115.99 176.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -66.35 -21.81 66.25 Favored 'General case' 0 N--CA 1.491 1.616 1 O-C-N 113.919 -5.488 . . . . 0.0 112.482 -171.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.51 -14.14 48.01 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 117.414 2.376 . . . . 0.0 117.414 170.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . 0.304 39.5 pt -126.26 -48.72 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 CA-C-N 113.929 -1.487 . . . . 0.0 114.782 169.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 -77.98 1.61 20.24 Favored 'General case' 0 N--CA 1.507 2.412 0 CA-C-O 114.196 -2.811 . . . . 0.0 111.177 -168.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -129.85 8.81 5.31 Favored 'General case' 0 CA--C 1.563 1.46 0 CA-C-O 124.943 2.306 . . . . 0.0 111.47 176.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.295 81.9 t80 -136.45 20.68 3.14 Favored 'General case' 0 N--CA 1.505 2.306 0 C-N-CA 126.621 1.968 . . . . 0.0 113.447 -173.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -158.42 148.91 20.18 Favored 'General case' 0 CA--C 1.493 -1.247 1 C-N-CA 132.446 4.298 . . . . 0.0 108.413 -170.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . 0.3 0.6 OUTLIER -61.44 -15.41 36.99 Favored 'General case' 0 CA--C 1.557 1.249 0 N-CA-C 118.025 2.602 . . . . 0.0 118.025 -172.234 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -139.71 160.25 40.32 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 125.146 2.403 . . . . 0.0 111.349 -177.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 33.6 m -66.59 125.03 24.49 Favored 'General case' 0 N--CA 1.515 2.799 0 O-C-N 118.552 -2.592 . . . . 0.0 111.204 158.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -84.59 149.24 26.0 Favored 'General case' 0 C--N 1.366 1.288 0 O-C-N 126.441 2.338 . . . . 0.0 108.506 168.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -78.03 -68.51 0.63 Allowed 'General case' 0 C--N 1.364 1.206 1 C-N-CA 131.792 4.037 . . . . 0.0 106.54 -163.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -115.47 148.83 38.98 Favored 'General case' 0 N--CA 1.519 2.992 0 C-N-CA 126.143 1.777 . . . . 0.0 114.057 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -156.42 165.88 35.05 Favored 'General case' 0 C--O 1.246 0.876 0 O-C-N 117.951 -2.968 . . . . 0.0 108.346 166.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 55.1 m -134.62 144.44 47.88 Favored 'General case' 0 CA--C 1.574 1.887 1 C-N-CA 132.635 4.374 . . . . 0.0 110.27 -175.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -145.49 134.97 23.19 Favored 'General case' 0 CA--C 1.61 3.279 0 C-N-CA 128.454 2.701 . . . . 0.0 104.401 -177.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 76.1 mt -119.23 133.74 55.59 Favored 'General case' 0 N--CA 1.532 3.638 0 CA-C-N 113.223 -1.808 . . . . 0.0 112.189 -162.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -89.56 85.58 6.53 Favored 'General case' 0 N--CA 1.508 2.462 0 N-CA-C 116.818 2.155 . . . . 0.0 116.818 -172.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.9 t -160.8 172.13 17.57 Favored 'General case' 0 N--CA 1.513 2.678 0 N-CA-C 104.837 -2.283 . . . . 0.0 104.837 -165.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.2 p -108.13 171.4 7.43 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 118.477 -2.639 . . . . 0.0 113.47 175.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -74.5 -39.07 62.66 Favored 'General case' 0 C--O 1.187 -2.23 0 CA-C-N 120.493 1.497 . . . . 0.0 109.79 -173.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.75 -7.85 1.13 Allowed 'General case' 0 C--N 1.357 0.933 0 N-CA-C 117.708 2.484 . . . . 0.0 117.708 169.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -95.69 -51.1 4.65 Favored 'General case' 0 C--O 1.201 -1.466 0 C-N-CA 128.549 2.739 . . . . 0.0 110.586 177.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . 0.38 1.4 t -58.66 -25.74 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.063 0 CA-C-O 124.075 1.893 . . . . 0.0 112.064 171.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 50.6 t -69.72 -47.97 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 O-C-N 117.672 -3.143 . . . . 0.0 112.517 175.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -63.12 -11.8 22.84 Favored 'General case' 0 CA--C 1.491 -1.311 0 CA-C-O 116.103 -1.903 . . . . 0.0 108.865 174.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 t -86.01 -29.88 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-N 121.848 2.113 . . . . 0.0 113.83 169.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 88.7 m -68.11 -29.53 68.48 Favored 'General case' 0 C--N 1.371 1.503 0 C-N-CA 114.882 -2.727 . . . . 0.0 109.93 164.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -76.71 -5.2 83.19 Favored Glycine 0 C--N 1.359 1.858 0 C-N-CA 128.472 2.939 . . . . 0.0 114.148 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -76.85 172.51 13.01 Favored 'General case' 0 N--CA 1.421 -1.879 0 C-N-CA 130.536 3.534 . . . . 0.0 114.546 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -55.5 146.15 20.97 Favored 'General case' 0 CA--C 1.566 1.563 0 CA-C-N 120.413 1.46 . . . . 0.0 111.15 175.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.8 m -92.09 126.4 37.15 Favored 'General case' 0 N--CA 1.517 2.901 0 O-C-N 126.578 2.424 . . . . 0.0 110.49 -174.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.429 HG13 ' SG ' ' A' ' 71' ' ' CYS . 29.7 pt -117.97 -174.26 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.252 1.186 0 CA-C-N 119.554 1.07 . . . . 0.0 110.976 169.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 -122.98 146.55 47.52 Favored 'General case' 0 N--CA 1.509 2.509 0 C-N-CA 127.83 2.452 . . . . 0.0 111.173 166.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.492 ' HB3' ' HD2' ' A' ' 63' ' ' PRO . 72.4 m -129.72 177.98 1.92 Allowed Pre-proline 0 CA--C 1.567 1.616 0 CA-C-N 110.382 -3.099 . . . . 0.0 110.012 -169.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.492 ' HD2' ' HB3' ' A' ' 62' ' ' CYS 0.269 54.0 Cg_endo -85.25 -7.87 8.91 Favored 'Trans proline' 0 CA--C 1.488 -1.814 0 C-N-CA 123.657 2.905 . . . . 0.0 116.934 -164.391 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . 0.339 2.2 m80 -140.21 31.38 1.95 Allowed 'General case' 0 CA--C 1.496 -1.108 0 C-N-CA 129.587 3.155 . . . . 0.0 113.032 -171.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -127.47 1.49 6.26 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 126.495 2.372 . . . . 0.0 112.26 -158.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -59.98 -32.33 70.74 Favored 'General case' 0 N--CA 1.519 3.011 0 CA-C-O 126.521 3.058 . . . . 0.0 114.46 -177.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . 0.374 63.8 p -56.0 -11.38 1.05 Allowed 'General case' 0 N--CA 1.514 2.738 0 O-C-N 118.047 -2.908 . . . . 0.0 113.023 169.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -148.33 -5.75 0.43 Allowed 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 122.527 2.421 . . . . 0.0 116.629 168.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.2 t30 55.62 28.05 11.41 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 116.899 2.185 . . . . 0.0 116.899 -176.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -153.06 115.74 4.5 Favored 'General case' 0 CA--C 1.591 2.549 0 O-C-N 117.458 -3.276 . . . . 0.0 105.568 -165.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.429 ' SG ' HG13 ' A' ' 60' ' ' ILE . 6.8 p -137.91 169.93 16.93 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 110.808 -2.905 . . . . 0.0 112.913 169.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -139.58 156.19 47.02 Favored 'General case' 0 C--N 1.373 1.592 0 O-C-N 120.848 -1.157 . . . . 0.0 108.195 -176.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -118.61 172.1 7.73 Favored 'General case' 0 C--O 1.272 2.237 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 172.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 85.2 p -65.21 162.17 17.76 Favored 'General case' 0 C--O 1.244 0.811 0 C-N-CA 128.839 2.856 . . . . 0.0 111.288 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -97.93 -9.13 26.75 Favored 'General case' 0 C--O 1.169 -3.162 0 C-N-CA 126.881 2.072 . . . . 0.0 107.74 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -163.87 176.49 9.42 Favored 'General case' 0 N--CA 1.439 -0.995 0 O-C-N 116.571 -3.831 . . . . 0.0 111.201 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 -82.76 163.18 21.43 Favored 'General case' 0 C--N 1.389 2.302 0 CA-C-O 121.482 0.658 . . . . 0.0 109.366 166.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.4 m -141.42 151.86 62.17 Favored Pre-proline 0 C--O 1.197 -1.702 0 C-N-CA 126.324 1.849 . . . . 0.0 109.946 168.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.407 ' HA ' ' O ' ' A' ' 103' ' ' GLY . 48.5 Cg_endo -64.98 155.08 70.15 Favored 'Trans proline' 0 CA--C 1.56 1.785 0 C-N-CA 121.714 1.609 . . . . 0.0 112.457 160.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.6 pp -155.41 177.47 11.32 Favored 'General case' 0 N--CA 1.421 -1.896 0 O-C-N 118.576 -2.578 . . . . 0.0 114.24 -172.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.2 tp -128.77 109.82 11.63 Favored 'General case' 0 CA--C 1.59 2.491 0 CA-C-N 120.603 1.547 . . . . 0.0 108.215 176.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -84.02 161.05 20.86 Favored 'General case' 0 N--CA 1.424 -1.727 0 CA-C-O 116.464 -1.732 . . . . 0.0 112.687 161.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 68.7 m -153.16 149.55 28.14 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 126.502 2.377 . . . . 0.0 115.467 -174.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -150.52 109.57 3.91 Favored 'General case' 0 C--O 1.257 1.452 0 O-C-N 126.145 2.153 . . . . 0.0 112.25 -145.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.1 tp -68.8 96.15 0.73 Allowed 'General case' 0 C--O 1.199 -1.593 0 O-C-N 126.176 2.172 . . . . 0.0 111.138 169.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.306 0.8 OUTLIER -57.25 -9.4 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.531 3.586 0 N-CA-C 117.126 2.269 . . . . 0.0 117.126 -174.273 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -138.75 86.13 16.08 Favored Pre-proline 0 CA--C 1.563 1.475 0 O-C-N 116.442 -3.911 . . . . 0.0 110.105 169.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -48.66 -25.78 8.46 Favored 'Trans proline' 0 CA--C 1.58 2.797 1 C-N-CA 126.849 5.032 . . . . 0.0 116.001 -168.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -70.17 -19.81 76.02 Favored Glycine 0 C--N 1.356 1.665 0 C-N-CA 127.036 2.255 . . . . 0.0 113.336 178.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.3 147.09 46.71 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 119.414 -2.227 . . . . 0.0 115.774 168.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -148.83 -17.66 0.31 Allowed 'General case' 0 C--N 1.384 2.086 0 C-N-CA 128.191 2.596 . . . . 0.0 114.62 -170.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -103.27 141.84 35.22 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 104.853 -2.277 . . . . 0.0 104.853 176.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 19.8 pt -65.02 -5.39 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.604 3.048 0 N-CA-C 117.365 2.357 . . . . 0.0 117.365 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.0 m -83.83 0.85 45.81 Favored 'General case' 0 C--O 1.265 1.905 0 CA-C-O 123.539 1.638 . . . . 0.0 110.163 176.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -152.45 -9.67 0.19 Allowed 'General case' 0 N--CA 1.516 2.854 0 O-C-N 119.436 -2.04 . . . . 0.0 113.861 -170.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 3.4 m -71.88 149.7 44.93 Favored 'General case' 0 N--CA 1.498 1.956 0 CA-C-N 120.117 1.326 . . . . 0.0 109.184 162.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -164.32 145.94 8.56 Favored 'General case' 0 CA--C 1.563 1.459 0 C-N-CA 130.227 3.411 . . . . 0.0 110.066 -169.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -136.72 169.48 17.66 Favored 'General case' 0 C--N 1.315 -0.919 0 O-C-N 128.673 3.733 . . . . 0.0 114.423 -165.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.57 134.06 6.82 Favored 'General case' 0 CA--C 1.486 -1.498 0 CA-C-N 113.614 -1.63 . . . . 0.0 111.878 -169.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -77.68 128.39 34.01 Favored 'General case' 0 C--N 1.271 -2.805 0 O-C-N 116.552 -3.842 . . . . 0.0 111.599 -164.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . 0.331 2.7 mpt_? -119.87 67.71 11.63 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 124.275 0.985 . . . . 0.0 110.45 174.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -54.96 139.91 79.37 Favored 'Trans proline' 0 N--CA 1.514 2.68 0 O-C-N 116.507 -2.417 . . . . 0.0 113.667 173.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 79' ' ' PRO . . . -141.62 -168.96 11.76 Favored Glycine 0 CA--C 1.57 3.525 0 N-CA-C 115.202 0.841 . . . . 0.0 115.202 173.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 45.7 ttt180 -148.53 113.11 5.34 Favored 'General case' 0 CA--C 1.499 -1.012 0 C-N-CA 130.639 3.576 . . . . 0.0 109.661 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 90.7 mtm-85 -158.55 166.36 32.3 Favored 'General case' 0 C--O 1.267 1.977 0 O-C-N 124.703 1.252 . . . . 0.0 107.666 -172.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -81.46 167.78 19.01 Favored 'General case' 0 C--O 1.163 -3.498 0 CA-C-O 116.734 -1.603 . . . . 0.0 110.837 163.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -137.31 159.0 43.19 Favored 'General case' 0 CA--C 1.567 1.634 0 C-N-CA 128.761 2.824 . . . . 0.0 114.672 -176.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 42.0 t -141.76 119.42 8.29 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.375 0 O-C-N 128.271 3.482 . . . . 0.0 109.591 -170.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.0 m -148.32 -178.37 0.56 Allowed 'Isoleucine or valine' 0 C--O 1.171 -3.036 0 O-C-N 117.136 -3.477 . . . . 0.0 109.576 -154.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -155.1 153.71 31.28 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 127.906 2.482 . . . . 0.0 113.4 -172.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 99.1 m -133.48 165.56 24.6 Favored 'General case' 0 N--CA 1.405 -2.722 0 C-N-CA 126.21 1.804 . . . . 0.0 113.491 -157.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -146.25 168.51 20.88 Favored 'General case' 0 C--O 1.281 2.731 0 C-N-CA 127.787 2.435 . . . . 0.0 113.077 175.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -66.55 159.1 28.11 Favored 'General case' 0 C--O 1.208 -1.088 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -48.25 153.21 0.74 Allowed 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 126.558 3.075 . . . . 0.0 116.114 172.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.461 ' HA ' ' HD3' ' A' ' 116' ' ' PRO . 12.8 t70 -72.43 142.66 84.47 Favored Pre-proline 0 CA--C 1.554 1.109 0 CA-C-N 113.257 -1.792 . . . . 0.0 112.945 170.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 115' ' ' ASP . 70.1 Cg_exo -61.44 -9.57 13.59 Favored 'Trans proline' 0 N--CA 1.506 2.221 1 C-N-CA 125.37 4.047 . . . . 0.0 115.144 -175.319 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -143.32 -26.96 0.57 Allowed 'General case' 0 C--N 1.399 2.742 0 C-N-CA 126.993 2.117 . . . . 0.0 114.438 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -103.25 146.84 27.83 Favored 'General case' 0 N--CA 1.525 3.314 0 CA-C-N 120.389 1.45 . . . . 0.0 111.501 -163.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.8 m 50.62 57.88 17.29 Favored Pre-proline 0 CA--C 1.549 0.918 0 N-CA-C 119.023 2.971 . . . . 0.0 119.023 -178.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -53.51 -17.54 9.65 Favored 'Trans proline' 0 C--N 1.29 -2.521 0 C-N-CA 124.224 3.283 . . . . 0.0 118.191 176.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -47.25 -23.91 0.63 Allowed 'General case' 0 N--CA 1.423 -1.803 0 C-N-CA 124.896 1.278 . . . . 0.0 113.343 171.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . 0.312 62.7 m-85 -138.9 139.53 24.07 Favored Pre-proline 0 CA--C 1.572 1.798 0 CA-C-N 121.405 1.911 . . . . 0.0 112.18 -159.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -80.26 -28.37 3.05 Favored 'Trans proline' 0 CA--C 1.565 2.034 0 C-N-CA 124.273 3.315 . . . . 0.0 113.273 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.6 m -132.19 159.17 43.29 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.075 0 C-N-CA 126.917 2.087 . . . . 0.0 108.657 -174.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 28.2 m -143.26 142.73 22.13 Favored Pre-proline 0 CA--C 1.564 1.513 0 O-C-N 126.364 2.29 . . . . 0.0 105.884 -173.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -73.19 145.85 39.77 Favored 'Trans proline' 0 CA--C 1.574 2.49 0 CA-C-N 122.33 1.868 . . . . 0.0 113.42 165.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.3 m -139.58 -20.16 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.511 2.59 0 O-C-N 119.934 -1.729 . . . . 0.0 111.884 -170.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.577 ' CD2' ' H ' ' A' ' 129' ' ' LEU . 4.0 t60 -148.81 169.91 19.41 Favored 'General case' 0 C--O 1.181 -2.537 1 O-C-N 115.38 -4.575 . . . . 0.0 110.865 179.668 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.577 ' H ' ' CD2' ' A' ' 128' ' ' HIS . 14.3 tp -145.77 124.62 12.67 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 115.393 -2.242 . . . . 0.0 110.919 -174.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -101.94 -35.02 9.14 Favored 'General case' 0 C--N 1.409 3.171 0 CA-C-N 121.742 2.065 . . . . 0.0 111.678 -171.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 12.2 t -167.24 168.34 13.45 Favored 'General case' 0 C--O 1.256 1.397 0 N-CA-C 115.762 1.764 . . . . 0.0 115.762 -171.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 51.5 p -141.44 152.72 44.5 Favored 'General case' 0 N--CA 1.512 2.655 0 C-N-CA 126.652 1.981 . . . . 0.0 110.917 159.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.355 0.814 0 C-N-CA 128.792 2.837 . . . . 0.0 108.36 -163.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 203' ' ' SGN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 12.4 ttt85 . . . . . 0 CA--C 1.54 0.593 0 N-CA-C 117.478 2.399 . . . . 0.0 117.478 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -52.59 149.98 22.79 Favored 'Trans proline' 0 C--N 1.381 2.283 0 C-N-CA 124.137 3.225 . . . . 0.0 108.957 164.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -63.9 -18.36 63.55 Favored 'Trans proline' 0 CA--C 1.572 2.389 1 C-N-CA 127.368 5.379 . . . . 0.0 114.283 -171.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.308 10.9 pt20 -143.38 9.71 1.64 Allowed 'General case' 0 C--O 1.257 1.452 0 C-N-CA 126.272 1.829 . . . . 0.0 114.966 -168.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -144.77 168.19 20.8 Favored 'General case' 0 N--CA 1.52 3.072 0 C-N-CA 127.777 2.431 . . . . 0.0 113.162 -171.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.62 164.76 18.43 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 120.247 1.385 . . . . 0.0 112.297 150.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . 0.262 7.2 tpt180 -55.23 -51.91 65.08 Favored 'General case' 0 N--CA 1.535 3.787 0 O-C-N 119.747 -1.845 . . . . 0.0 108.388 165.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.29 -26.58 47.11 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 115.698 -2.401 . . . . 0.0 111.809 -166.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -57.43 -46.08 83.95 Favored 'General case' 0 N--CA 1.515 2.791 0 C-N-CA 124.389 1.076 . . . . 0.0 108.745 167.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 38.0 t-105 -74.72 -32.31 62.11 Favored 'General case' 0 C--O 1.205 -1.255 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -171.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -53.12 -48.79 67.59 Favored 'General case' 0 C--N 1.372 1.554 0 N-CA-C 120.067 3.358 . . . . 0.0 120.067 161.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.92 -36.07 75.06 Favored 'General case' 0 N--CA 1.504 2.227 0 CA-C-O 124.153 1.93 . . . . 0.0 113.817 -175.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.4 mt -53.8 -30.54 19.23 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.726 0 N-CA-C 117.351 2.352 . . . . 0.0 117.351 163.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -102.91 -18.55 15.0 Favored 'General case' 0 CA--C 1.592 2.574 0 CA-C-O 114.31 -2.757 . . . . 0.0 107.583 -175.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -145.27 6.12 1.12 Allowed 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 114.135 -2.84 . . . . 0.0 114.691 -167.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.3 mm -143.89 115.66 2.64 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.974 1 CA-C-N 126.843 4.383 . . . . 0.0 110.04 -175.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . 0.277 4.4 t -154.08 108.07 2.99 Favored 'General case' 0 C--O 1.259 1.604 0 N-CA-C 116.031 1.863 . . . . 0.0 116.031 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.6 tp -61.21 -60.08 4.32 Favored 'General case' 0 C--N 1.4 2.762 1 O-C-N 131.353 5.408 . . . . 0.0 113.009 -174.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -117.86 81.25 15.28 Favored Pre-proline 0 N--CA 1.522 3.15 0 CA-C-O 123.569 1.652 . . . . 0.0 107.137 173.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -79.6 155.41 24.29 Favored 'Trans proline' 0 CA--C 1.552 1.392 1 C-N-CA 130.437 7.425 . . . . 0.0 110.129 -164.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -85.53 174.17 6.99 Favored 'Trans proline' 0 C--O 1.256 1.411 1 C-N-CA 125.329 4.019 . . . . 0.0 112.433 169.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.0 mmt-85 -58.15 153.22 15.34 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 121.84 0.829 . . . . 0.0 112.16 178.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.1 m -64.53 -19.95 65.92 Favored 'General case' 0 CA--C 1.487 -1.454 0 CA-C-N 114.441 -1.254 . . . . 0.0 113.971 -172.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.7 p -58.5 -38.83 78.47 Favored 'General case' 0 C--N 1.31 -1.13 0 C-N-CA 125.252 1.421 . . . . 0.0 113.373 164.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.4 mm -88.25 -34.01 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 124.493 1.117 . . . . 0.0 109.297 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.65 -49.21 74.1 Favored 'General case' 0 C--N 1.378 1.826 0 O-C-N 118.733 -2.479 . . . . 0.0 107.113 -174.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 87.7 mmm -70.02 -21.93 63.16 Favored 'General case' 0 C--O 1.29 3.233 0 C-N-CA 125.892 1.677 . . . . 0.0 109.694 -165.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -57.24 -32.68 66.79 Favored 'General case' 0 N--CA 1.524 3.253 0 CA-C-O 112.516 -3.611 . . . . 0.0 112.983 170.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.22 -31.69 0.14 Allowed 'General case' 0 CA--C 1.491 -1.289 0 CA-C-N 123.725 2.966 . . . . 0.0 117.812 168.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.5 pt -121.73 -49.03 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.611 3.3 0 O-C-N 124.459 1.099 . . . . 0.0 110.04 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -71.47 -17.75 62.34 Favored 'General case' 0 C--N 1.389 2.306 0 O-C-N 119.315 -2.116 . . . . 0.0 114.829 -172.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.289 2.0 m-20 -97.41 19.33 13.46 Favored 'General case' 0 C--N 1.277 -2.57 0 O-C-N 124.695 1.247 . . . . 0.0 111.847 167.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -142.37 -5.21 0.97 Allowed 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 124.316 1.047 . . . . 0.0 113.279 -172.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -136.11 160.31 39.04 Favored 'General case' 0 CA--C 1.573 1.864 0 O-C-N 117.223 -3.423 . . . . 0.0 112.671 -177.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -60.61 -24.32 65.41 Favored 'General case' 0 C--O 1.174 -2.88 0 N-CA-C 120.122 3.378 . . . . 0.0 120.122 -170.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -143.88 159.34 42.71 Favored 'General case' 0 CA--C 1.603 3.005 0 O-C-N 127.135 2.772 . . . . 0.0 111.75 172.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.1 m -60.48 104.56 0.34 Allowed 'General case' 0 CA--C 1.583 2.24 0 O-C-N 128.947 3.905 . . . . 0.0 114.809 169.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.636 ' HE2' ' HN ' ' A' ' 203' ' ' SGN . 5.5 tttm -52.49 126.0 18.05 Favored 'General case' 0 C--N 1.289 -2.028 0 CA-C-O 117.226 -1.369 . . . . 0.0 110.287 156.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -52.28 -49.39 64.23 Favored 'General case' 0 C--O 1.266 1.933 0 C-N-CA 128.895 2.878 . . . . 0.0 115.281 -178.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -149.11 158.29 44.07 Favored 'General case' 0 CA--C 1.587 2.404 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 -163.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -157.14 148.86 22.39 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 127.115 2.166 . . . . 0.0 113.879 173.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 46.6 m -113.07 146.54 38.97 Favored 'General case' 0 C--N 1.29 -2.018 0 C-N-CA 126.832 2.053 . . . . 0.0 114.102 170.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -138.47 138.4 38.07 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 127.265 2.853 . . . . 0.0 111.113 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.0 mt -113.77 132.26 55.91 Favored 'General case' 0 N--CA 1.436 -1.134 0 O-C-N 120.035 -1.666 . . . . 0.0 109.053 -168.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -90.17 60.56 4.84 Favored 'General case' 0 N--CA 1.518 2.951 0 C-N-CA 124.832 1.253 . . . . 0.0 113.128 -177.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.3 t -139.94 -157.5 0.77 Allowed 'General case' 0 N--CA 1.502 2.14 0 C-N-CA 125.544 1.538 . . . . 0.0 109.615 -162.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.0 p -135.52 150.45 49.76 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 120.784 1.629 . . . . 0.0 111.543 175.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -49.17 -45.91 44.68 Favored 'General case' 0 CA--C 1.576 1.964 0 CA-C-N 113.222 -1.808 . . . . 0.0 112.16 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.28 -45.53 34.78 Favored 'General case' 0 N--CA 1.508 2.458 0 N-CA-C 117.862 2.541 . . . . 0.0 117.862 176.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -62.71 -47.83 81.9 Favored 'General case' 0 N--CA 1.423 -1.794 0 C-N-CA 125.219 1.408 . . . . 0.0 112.9 171.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.1 t -57.1 -34.68 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 CA-C-O 117.554 -1.213 . . . . 0.0 113.875 174.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.7 t -76.31 -34.34 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.764 0 CA-C-N 123.3 2.773 . . . . 0.0 107.307 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -65.95 -30.92 71.57 Favored 'General case' 0 C--O 1.259 1.555 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 177.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 70.0 t -72.65 -36.14 52.46 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.353 0 C-N-CA 128.17 2.588 . . . . 0.0 110.722 170.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.4 m -47.06 -26.12 0.99 Allowed 'General case' 0 N--CA 1.496 1.866 2 O-C-N 113.578 -5.701 . . . . 0.0 113.595 158.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -99.08 10.48 61.89 Favored Glycine 1 CA--C 1.592 4.87 0 O-C-N 123.751 0.657 . . . . 0.0 112.483 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -90.06 170.71 10.11 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 124.222 1.963 . . . . 0.0 115.486 167.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . 0.283 16.1 mt-30 -31.09 124.36 0.21 Allowed 'General case' 0 C--N 1.302 -1.495 0 O-C-N 119.38 -2.075 . . . . 0.0 112.963 177.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.2 m -92.09 120.46 32.72 Favored 'General case' 0 N--CA 1.506 2.342 0 CA-C-O 112.724 -3.512 . . . . 0.0 111.727 -174.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.8 pt -134.24 166.46 28.7 Favored 'Isoleucine or valine' 0 C--O 1.281 2.755 0 CA-C-N 122.003 2.183 . . . . 0.0 109.822 -168.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.6 ptt85 -87.26 160.68 18.35 Favored 'General case' 0 CA--C 1.586 2.361 0 CA-C-N 121.552 1.978 . . . . 0.0 112.895 162.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.7 m -132.77 150.73 76.54 Favored Pre-proline 0 C--O 1.253 1.266 0 O-C-N 125.212 1.57 . . . . 0.0 113.268 174.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -47.06 -20.69 1.31 Allowed 'Trans proline' 0 CA--C 1.555 1.549 1 C-N-CA 125.983 4.456 . . . . 0.0 117.195 -176.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -133.57 68.1 1.5 Allowed 'General case' 1 N--CA 1.551 4.592 0 CA-C-N 121.58 1.991 . . . . 0.0 110.777 172.853 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -146.1 -7.0 0.56 Allowed 'General case' 0 C--O 1.28 2.676 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 -160.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -60.22 -3.18 0.56 Allowed 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 120.228 3.418 . . . . 0.0 120.228 -169.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.0 p -63.84 -46.03 86.89 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-N 121.541 1.973 . . . . 0.0 112.095 167.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.3 1.7 pt? -122.75 -9.01 8.4 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 118.455 2.761 . . . . 0.0 118.455 -173.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.9 t30 48.65 33.14 3.95 Favored 'General case' 0 CA--C 1.613 3.378 0 C-N-CA 128.876 2.87 . . . . 0.0 112.917 171.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -146.81 111.08 5.12 Favored 'General case' 0 C--O 1.267 2.001 0 CA-C-N 111.763 -2.471 . . . . 0.0 106.677 -171.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.4 p -134.94 172.34 13.13 Favored 'General case' 0 C--O 1.18 -2.564 0 CA-C-N 112.248 -2.251 . . . . 0.0 109.303 171.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -146.57 152.59 39.18 Favored 'General case' 0 CA--C 1.568 1.665 0 C-N-CA 128.718 2.807 . . . . 0.0 110.29 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 46.8 ptt85 -122.83 154.95 37.57 Favored 'General case' 0 C--N 1.378 1.845 0 O-C-N 126.118 2.136 . . . . 0.0 114.755 169.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.1 p -72.81 129.92 39.29 Favored 'General case' 0 C--N 1.366 1.315 0 O-C-N 118.162 -2.836 . . . . 0.0 111.73 -166.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.427 ' HG3' ' H ' ' A' ' 75' ' ' ARG . 36.1 mtt-85 -47.61 -20.11 0.24 Allowed 'General case' 0 N--CA 1.509 2.486 0 N-CA-C 117.498 2.407 . . . . 0.0 117.498 173.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -158.84 150.91 21.2 Favored 'General case' 0 C--N 1.383 2.028 0 O-C-N 126.528 2.393 . . . . 0.0 105.116 -171.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -60.26 158.99 10.56 Favored 'General case' 0 C--N 1.382 2.019 0 CA-C-N 113.341 -1.754 . . . . 0.0 111.878 171.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.8 m -140.34 156.27 69.81 Favored Pre-proline 0 N--CA 1.436 -1.165 0 C-N-CA 129.524 3.13 . . . . 0.0 108.233 175.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -73.01 155.1 52.96 Favored 'Trans proline' 0 C--O 1.277 2.444 0 C-N-CA 117.15 -1.433 . . . . 0.0 112.125 172.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' A' ' 105' ' ' ARG . 1.8 pp -156.49 174.09 15.94 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-O 117.834 -1.079 . . . . 0.0 109.161 -176.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . 0.25 58.9 tp -143.25 138.14 29.4 Favored 'General case' 0 CA--C 1.482 -1.657 1 C-N-CA 131.711 4.005 . . . . 0.0 110.427 -178.83 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -127.57 141.64 51.59 Favored 'General case' 0 N--CA 1.418 -2.057 0 C-N-CA 127.169 2.187 . . . . 0.0 114.042 176.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 76.5 m -119.03 155.13 31.97 Favored 'General case' 0 C--O 1.201 -1.479 0 CA-C-O 126.452 3.025 . . . . 0.0 112.237 -175.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -148.22 116.62 6.56 Favored 'General case' 0 C--N 1.297 -1.676 1 O-C-N 115.668 -4.395 . . . . 0.0 114.158 -166.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 27.1 tp -63.39 86.88 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 128.06 2.544 . . . . 0.0 111.276 176.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.6 pt -48.78 -22.8 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.577 2.001 0 O-C-N 117.351 -3.343 . . . . 0.0 116.68 -169.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -137.55 109.44 8.7 Favored Pre-proline 0 C--O 1.169 -3.134 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 157.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -60.22 -2.64 1.9 Allowed 'Trans proline' 0 CA--C 1.582 2.886 0 C-N-CA 124.683 3.589 . . . . 0.0 116.279 168.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.31 -19.64 66.6 Favored Glycine 0 CA--C 1.558 2.776 0 N-CA-C 117.386 1.714 . . . . 0.0 117.386 167.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -81.93 153.35 26.34 Favored 'General case' 0 CA--C 1.591 2.53 0 N-CA-C 120.441 3.497 . . . . 0.0 120.441 163.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -138.11 -3.37 1.78 Allowed 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 124.46 1.104 . . . . 0.0 113.335 -176.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -138.87 148.89 44.24 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.289 1.836 . . . . 0.0 112.458 -173.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.5 pt -74.61 -3.93 5.17 Favored 'Isoleucine or valine' 0 CA--C 1.616 3.503 0 CA-C-N 111.566 -2.561 . . . . 0.0 113.89 -171.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . 0.265 1.7 m -75.76 -12.9 60.27 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 120.646 1.566 . . . . 0.0 113.372 159.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -137.52 -8.03 1.7 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 116.655 -3.778 . . . . 0.0 119.897 175.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 99.2 m -65.93 145.05 56.37 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.366 -0.834 . . . . 0.0 108.756 174.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -149.38 152.47 35.82 Favored 'General case' 0 N--CA 1.518 2.94 0 C-N-CA 126.662 1.985 . . . . 0.0 111.016 -177.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -147.05 153.58 40.16 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 118.721 -2.487 . . . . 0.0 113.242 -172.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.59 164.99 25.43 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 122.147 0.975 . . . . 0.0 109.941 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -107.47 124.91 50.58 Favored 'General case' 0 CA--C 1.493 -1.229 0 C-N-CA 127.79 2.436 . . . . 0.0 113.596 -156.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.73 82.03 64.47 Favored Pre-proline 0 CA--C 1.556 1.181 0 O-C-N 118.541 -2.599 . . . . 0.0 107.577 -176.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -45.94 169.63 0.04 OUTLIER 'Trans proline' 0 C--N 1.408 3.71 0 CA-C-O 126.041 2.434 . . . . 0.0 113.946 164.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 174.92 177.31 43.93 Favored Glycine 0 CA--C 1.467 -2.964 0 CA-C-N 110.42 -3.082 . . . . 0.0 107.63 173.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -159.29 103.03 1.61 Allowed 'General case' 0 C--O 1.263 1.804 0 C-N-CA 130.127 3.371 . . . . 0.0 111.535 -173.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.422 ' HB2' HD21 ' A' ' 80' ' ' LEU . 43.4 mtm-85 -150.02 172.14 15.72 Favored 'General case' 0 CA--C 1.571 1.776 0 C-N-CA 129.619 3.168 . . . . 0.0 112.356 -161.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -71.78 175.94 5.32 Favored 'General case' 0 CA--C 1.593 2.603 0 CA-C-N 122.344 2.338 . . . . 0.0 108.853 159.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -135.05 158.02 45.42 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 112.887 -1.96 . . . . 0.0 111.886 168.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.0 t -129.65 113.24 26.68 Favored 'Isoleucine or valine' 0 C--O 1.253 1.254 0 CA-C-N 118.603 0.638 . . . . 0.0 111.031 -174.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 16.8 m -134.02 164.4 34.62 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 O-C-N 120.283 -1.511 . . . . 0.0 114.988 -160.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -112.33 151.94 29.14 Favored 'General case' 0 C--O 1.246 0.898 0 C-N-CA 125.237 1.415 . . . . 0.0 112.32 173.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 63.5 m -137.23 157.68 46.12 Favored 'General case' 0 N--CA 1.512 2.655 0 C-N-CA 128.323 2.649 . . . . 0.0 110.425 -172.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -152.4 171.59 17.8 Favored 'General case' 0 CA--C 1.59 2.481 0 C-N-CA 128.144 2.578 . . . . 0.0 108.816 -165.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -61.65 145.75 51.25 Favored 'General case' 0 N--CA 1.405 -2.687 0 O-C-N 128.236 3.46 . . . . 0.0 108.136 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -57.28 145.38 32.17 Favored 'General case' 0 N--CA 1.532 3.629 0 C-N-CA 128.621 2.768 . . . . 0.0 112.511 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.56 148.85 85.68 Favored Pre-proline 0 C--N 1.359 1.001 0 CA-C-O 124.144 1.926 . . . . 0.0 109.841 166.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -51.8 -25.26 20.53 Favored 'Trans proline' 0 C--N 1.403 3.426 0 C-N-CA 124.945 3.763 . . . . 0.0 115.533 172.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 53.3 mtt85 -147.81 -27.8 0.35 Allowed 'General case' 0 C--O 1.204 -1.313 0 CA-C-O 114.812 -2.518 . . . . 0.0 109.828 -164.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -83.01 144.8 29.71 Favored 'General case' 0 CA--C 1.564 1.485 0 CA-C-N 123.531 2.878 . . . . 0.0 117.481 173.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 42.6 m 48.91 57.89 18.13 Favored Pre-proline 0 C--N 1.306 -1.309 0 C-N-CA 131.441 3.897 . . . . 0.0 114.91 169.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -53.59 -11.52 2.2 Favored 'Trans proline' 0 C--N 1.394 2.945 0 N-CA-C 118.369 2.411 . . . . 0.0 118.369 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -53.69 -21.68 7.5 Favored 'General case' 0 C--O 1.256 1.432 0 O-C-N 117.573 -3.205 . . . . 0.0 110.991 176.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -127.66 133.36 25.01 Favored Pre-proline 1 N--CA 1.543 4.177 0 C-N-CA 125.933 1.693 . . . . 0.0 114.558 -166.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -69.45 -33.67 17.26 Favored 'Trans proline' 0 C--N 1.373 1.84 0 C-N-CA 124.056 3.171 . . . . 0.0 115.294 173.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 31.6 m -147.17 152.4 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 C-N-CA 128.032 2.533 . . . . 0.0 104.236 -170.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 18.8 m -132.69 138.38 31.87 Favored Pre-proline 0 CA--C 1.586 2.337 0 C-N-CA 128.157 2.583 . . . . 0.0 109.729 -171.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -60.71 148.73 90.75 Favored 'Trans proline' 0 C--O 1.257 1.451 1 C-N-CA 127.897 5.731 . . . . 0.0 106.483 166.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 34.3 m -148.42 -4.59 0.1 Allowed 'Isoleucine or valine' 1 N--CA 1.546 4.336 0 CA-C-O 115.927 -1.987 . . . . 0.0 113.213 -173.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -163.02 157.97 21.55 Favored 'General case' 0 C--O 1.283 2.833 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 52.1 tp -129.09 147.42 50.95 Favored 'General case' 0 N--CA 1.518 2.944 0 N-CA-C 105.214 -2.143 . . . . 0.0 105.214 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -123.35 -47.58 1.99 Allowed 'General case' 0 CA--C 1.594 2.655 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . 0.296 13.9 t -149.76 172.01 15.79 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-O 124.612 2.148 . . . . 0.0 107.182 176.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 70.3 p -142.79 140.1 31.23 Favored 'General case' 0 CA--C 1.577 2.009 0 N-CA-C 106.322 -1.732 . . . . 0.0 106.322 168.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.383 0.2 OUTLIER . . . . . 0 C--O 1.253 1.24 0 O-C-N 126.35 2.281 . . . . 0.0 113.548 -169.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 203' ' ' SGN . . . . . 0.636 ' HN ' ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.429 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 58.4 ttt85 . . . . . 0 N--CA 1.502 2.136 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 1' ' ' ARG . 14.1 Cg_exo -54.12 146.27 49.69 Favored 'Trans proline' 0 C--O 1.268 1.989 0 C-N-CA 122.867 2.378 . . . . 0.0 110.315 178.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -57.17 -24.85 61.05 Favored 'Trans proline' 0 CA--C 1.485 -1.927 0 N-CA-C 117.178 1.953 . . . . 0.0 117.178 -162.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -134.62 -1.15 2.82 Favored 'General case' 0 CA--C 1.61 3.281 0 N-CA-C 115.275 1.584 . . . . 0.0 115.275 -174.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -135.53 170.65 15.62 Favored 'General case' 0 CA--C 1.613 3.373 0 CA-C-N 120.811 1.641 . . . . 0.0 109.056 -173.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.7 p -77.4 163.81 26.05 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 126.152 2.158 . . . . 0.0 111.529 157.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -56.28 -43.66 79.05 Favored 'General case' 0 C--O 1.178 -2.679 0 O-C-N 127.107 2.754 . . . . 0.0 108.913 172.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.62 -38.25 77.15 Favored 'General case' 0 N--CA 1.5 2.047 1 O-C-N 129.753 4.408 . . . . 0.0 112.872 -178.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -62.29 -52.07 65.18 Favored 'General case' 0 C--N 1.37 1.466 0 CA-C-O 126.794 3.188 . . . . 0.0 111.032 170.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -55.42 -35.69 65.67 Favored 'General case' 0 C--O 1.265 1.887 0 O-C-N 117.318 -3.364 . . . . 0.0 117.342 176.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -51.43 -49.9 60.78 Favored 'General case' 0 C--N 1.272 -2.791 0 C-N-CA 128.028 2.531 . . . . 0.0 109.879 160.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.31 -33.36 67.31 Favored 'General case' 0 N--CA 1.518 2.939 0 CA-C-N 120.08 1.309 . . . . 0.0 112.196 -175.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.3 mt -79.37 -24.93 12.54 Favored 'Isoleucine or valine' 0 C--O 1.276 2.452 0 CA-C-O 112.489 -3.625 . . . . 0.0 108.943 173.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -80.55 -20.4 43.51 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 123.12 2.691 . . . . 0.0 112.119 172.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -149.58 -1.29 0.45 Allowed 'General case' 0 CA--C 1.604 3.025 1 N-CA-C 125.727 5.455 . . . . 0.0 125.727 -161.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.4 mm -120.11 133.98 65.09 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.967 0 C-N-CA 127.915 2.486 . . . . 0.0 106.259 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.2 t -150.66 179.24 8.35 Favored 'General case' 0 N--CA 1.522 3.165 0 CA-C-N 112.719 -2.037 . . . . 0.0 111.105 175.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.6 tp -145.8 -27.42 0.44 Allowed 'General case' 0 C--O 1.197 -1.667 0 O-C-N 117.435 -3.29 . . . . 0.0 112.56 166.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -127.56 58.13 29.5 Favored Pre-proline 0 N--CA 1.485 1.289 0 CA-C-O 114.704 -2.57 . . . . 0.0 111.367 171.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -67.16 156.23 67.2 Favored 'Trans proline' 0 CA--C 1.581 2.836 0 CA-C-N 125.766 3.095 . . . . 0.0 110.395 -163.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.441 ' HG2' ' HB2' ' A' ' 26' ' ' ALA . 98.0 Cg_endo -70.47 178.04 5.43 Favored 'Trans proline' 0 C--N 1.369 1.618 0 CA-C-N 120.948 1.374 . . . . 0.0 115.57 169.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 60.0 mmt-85 -40.27 148.99 0.08 Allowed 'General case' 0 C--N 1.309 -1.162 0 CA-C-O 116.594 -1.67 . . . . 0.0 114.35 146.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.457 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . 80.4 m -69.3 -16.38 63.54 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 127.234 2.214 . . . . 0.0 110.002 178.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.1 p -58.33 -29.75 66.17 Favored 'General case' 0 CA--C 1.566 1.562 1 C-N-CA 132.634 4.374 . . . . 0.0 109.02 169.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 32.5 mm -116.9 -41.67 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.656 0 C-N-CA 128.776 2.83 . . . . 0.0 108.919 -179.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.457 ' HB3' ' HA ' ' A' ' 23' ' ' CYS . . . -52.3 -23.5 5.9 Favored 'General case' 0 N--CA 1.52 3.057 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 88.6 mmm -87.03 -26.05 23.93 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 173.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -59.93 -29.53 68.45 Favored 'General case' 0 CA--C 1.557 1.248 0 O-C-N 119.555 -1.965 . . . . 0.0 114.33 -176.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -42.38 -31.89 0.46 Allowed 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.767 2.027 . . . . 0.0 115.394 166.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.1 pt -114.84 -40.17 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.939 0 C-N-CA 125.302 1.441 . . . . 0.0 111.71 173.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -84.07 -14.52 50.27 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 116.753 -1.594 . . . . 0.0 112.327 -161.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -98.53 -11.3 22.37 Favored 'General case' 0 C--O 1.271 2.217 0 CA-C-O 125.283 2.468 . . . . 0.0 114.258 169.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -100.52 -6.42 25.47 Favored 'General case' 0 C--O 1.278 2.589 1 C-N-CA 132.313 4.245 . . . . 0.0 108.922 -168.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -140.39 162.5 35.16 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 128.173 3.421 . . . . 0.0 114.173 -170.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.8 p-90 -71.32 -27.09 63.15 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-O 113.747 -3.025 . . . . 0.0 115.203 -164.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -135.37 175.92 9.15 Favored 'General case' 0 C--O 1.267 2.014 0 CA-C-N 123.32 2.782 . . . . 0.0 111.276 163.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.2 m -78.43 119.46 21.78 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.562 ' HE2' ' H3 ' ' A' ' 203' ' ' SGN . 66.9 tttt -67.99 149.14 50.1 Favored 'General case' 0 C--O 1.243 0.76 0 C-N-CA 127.07 2.148 . . . . 0.0 112.396 170.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 62.9 t-20 -75.88 -50.06 16.15 Favored 'General case' 0 CA--C 1.592 2.572 0 O-C-N 125.831 1.957 . . . . 0.0 113.659 -168.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -135.96 155.82 49.68 Favored 'General case' 0 N--CA 1.396 -3.135 0 O-C-N 120.146 -1.596 . . . . 0.0 112.468 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -146.73 173.8 12.04 Favored 'General case' 0 C--O 1.259 1.582 0 O-C-N 117.902 -2.999 . . . . 0.0 108.537 161.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.6 m -133.75 133.3 41.57 Favored 'General case' 0 N--CA 1.51 2.569 0 O-C-N 128.236 3.46 . . . . 0.0 113.455 171.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -122.3 97.42 5.46 Favored 'General case' 0 CA--C 1.577 1.983 1 C-N-CA 132.034 4.133 . . . . 0.0 110.424 178.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.6 mt -59.65 135.29 57.63 Favored 'General case' 0 C--O 1.25 1.124 0 C-N-CA 125.95 1.7 . . . . 0.0 113.147 170.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -93.55 75.38 4.41 Favored 'General case' 0 N--CA 1.517 2.887 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 170.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -149.98 171.65 16.49 Favored 'General case' 0 N--CA 1.512 2.633 0 C-N-CA 124.277 1.031 . . . . 0.0 110.679 171.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.4 p -78.84 145.78 34.06 Favored 'General case' 0 CA--C 1.487 -1.476 0 C-N-CA 125.655 1.582 . . . . 0.0 112.037 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . 0.259 48.2 t80 -57.42 -34.62 69.1 Favored 'General case' 0 CA--C 1.584 2.269 0 O-C-N 118.245 -2.784 . . . . 0.0 111.603 170.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.99 -32.12 72.56 Favored 'General case' 0 C--O 1.264 1.851 0 N-CA-C 118.148 2.647 . . . . 0.0 118.148 174.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -68.25 -53.56 23.78 Favored 'General case' 0 CA--C 1.601 2.904 0 O-C-N 119.559 -1.963 . . . . 0.0 112.822 168.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.7 t -53.53 -38.56 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 C-N-CA 124.587 1.155 . . . . 0.0 110.58 175.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.427 HG11 ' CG ' ' A' ' 122' ' ' TYR . 69.3 t -71.3 -37.7 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 CA-C-O 123.221 1.486 . . . . 0.0 113.202 -179.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -59.4 -31.26 69.08 Favored 'General case' 0 CA--C 1.589 2.462 0 O-C-N 118.257 -2.777 . . . . 0.0 116.859 161.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.9 t -76.65 -19.37 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 CA-C-O 116.271 -1.823 . . . . 0.0 111.03 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 81.3 m -62.06 -15.12 42.43 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 117.723 2.49 . . . . 0.0 117.723 163.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -108.39 18.02 33.36 Favored Glycine 0 C--N 1.371 2.509 0 O-C-N 119.725 -1.859 . . . . 0.0 112.859 175.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -79.36 171.41 15.21 Favored 'General case' 0 C--N 1.312 -1.046 0 O-C-N 118.597 -2.708 . . . . 0.0 108.365 172.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -30.59 127.15 0.15 Allowed 'General case' 0 C--N 1.385 2.146 0 O-C-N 117.252 -3.405 . . . . 0.0 112.199 170.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.0 m -93.61 72.37 4.31 Favored 'General case' 0 CA--C 1.602 2.97 0 CA-C-O 128.417 3.961 . . . . 0.0 107.318 -173.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 32.7 pt -72.68 -178.42 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 C-N-CA 129.293 3.037 . . . . 0.0 113.595 174.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.4 ptt85 -137.68 148.36 45.63 Favored 'General case' 0 N--CA 1.5 2.062 0 CA-C-O 117.093 -1.432 . . . . 0.0 113.278 -174.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . 0.257 81.8 m -136.18 165.78 33.05 Favored Pre-proline 0 C--N 1.282 -2.326 0 CA-C-N 119.268 0.94 . . . . 0.0 109.466 -169.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -63.47 -17.14 58.66 Favored 'Trans proline' 0 C--O 1.2 -1.392 0 N-CA-C 117.683 2.147 . . . . 0.0 117.683 -176.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -124.28 46.33 2.31 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.341 -1.474 . . . . 0.0 114.902 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -149.29 3.36 0.58 Allowed 'General case' 0 C--O 1.275 2.404 0 C-N-CA 128.398 2.679 . . . . 0.0 114.3 -162.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.5 ptt-85 -48.49 -27.14 2.51 Favored 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 116.644 2.09 . . . . 0.0 116.644 177.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.2 p -72.28 -21.33 61.37 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 117.197 -1.382 . . . . 0.0 111.968 -172.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -127.89 -22.77 3.47 Favored 'General case' 0 C--O 1.197 -1.674 0 N-CA-C 118.025 2.602 . . . . 0.0 118.025 163.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 43.2 t30 64.42 35.87 9.31 Favored 'General case' 0 C--O 1.207 -1.184 0 C-N-CA 126.27 1.828 . . . . 0.0 108.833 170.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -137.28 115.54 11.76 Favored 'General case' 0 N--CA 1.489 1.49 1 C-N-CA 131.994 4.118 . . . . 0.0 109.934 173.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 32.1 p -147.48 171.16 15.96 Favored 'General case' 0 N--CA 1.533 3.68 0 C-N-CA 131.471 3.908 . . . . 0.0 108.163 173.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -148.08 149.08 31.41 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 118.536 -2.602 . . . . 0.0 108.533 -174.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -111.92 169.71 8.65 Favored 'General case' 0 CA--C 1.571 1.777 0 O-C-N 119.835 -1.791 . . . . 0.0 111.421 159.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.4 p -71.97 174.94 6.33 Favored 'General case' 0 C--N 1.377 1.776 0 O-C-N 127.74 3.15 . . . . 0.0 107.202 -162.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -97.03 -35.39 10.85 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 127.775 2.43 . . . . 0.0 115.968 170.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -148.2 153.18 38.43 Favored 'General case' 0 CA--C 1.611 3.304 0 C-N-CA 127.237 2.215 . . . . 0.0 105.241 -169.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 31.0 mtm180 -78.57 150.4 32.81 Favored 'General case' 0 C--N 1.38 1.903 0 CA-C-O 123.842 1.782 . . . . 0.0 114.178 173.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.1 m -130.6 158.54 74.39 Favored Pre-proline 0 N--CA 1.51 2.527 0 CA-C-N 110.052 -3.249 . . . . 0.0 110.226 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.61 159.68 45.49 Favored 'Trans proline' 0 C--O 1.269 2.067 0 O-C-N 124.506 1.793 . . . . 0.0 110.95 171.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.587 HD12 ' C ' ' A' ' 80' ' ' LEU . 3.4 pp -156.4 170.03 23.24 Favored 'General case' 0 C--N 1.279 -2.474 0 O-C-N 119.629 -1.919 . . . . 0.0 110.754 177.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.0 tp -114.03 126.45 55.14 Favored 'General case' 0 C--O 1.265 1.879 0 N-CA-C 118.041 2.608 . . . . 0.0 118.041 161.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -105.24 145.34 30.79 Favored 'General case' 0 C--N 1.302 -1.477 0 C-N-CA 127.1 2.16 . . . . 0.0 111.42 165.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 95.8 m -134.92 150.07 50.35 Favored 'General case' 0 C--N 1.368 1.393 0 CA-C-O 116.425 -1.75 . . . . 0.0 113.064 -173.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -152.48 100.87 2.61 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 124.618 3.372 . . . . 0.0 108.37 -143.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.3 tp -64.2 126.29 27.26 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 116.978 -1.487 . . . . 0.0 110.078 178.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 21.7 pt -61.79 -37.91 79.23 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 CA-C-O 114.956 -2.449 . . . . 0.0 115.341 -174.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -148.2 113.46 3.85 Favored Pre-proline 0 N--CA 1.497 1.911 0 O-C-N 126.549 2.406 . . . . 0.0 110.481 -174.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -52.68 -26.87 31.31 Favored 'Trans proline' 0 CA--C 1.487 -1.853 1 CA-C-O 108.88 -4.717 . . . . 0.0 111.712 -178.796 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -37.07 -42.35 0.77 Allowed Glycine 0 N--CA 1.493 2.471 0 CA-C-N 125.019 3.554 . . . . 0.0 120.215 164.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.36 144.53 37.91 Favored 'General case' 0 C--N 1.29 -1.982 0 CA-C-N 121.377 2.589 . . . . 0.0 112.263 -165.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -145.81 -9.48 0.54 Allowed 'General case' 0 N--CA 1.509 2.484 0 N-CA-C 115.917 1.821 . . . . 0.0 115.917 -175.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -93.72 125.49 38.36 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 116.274 -1.822 . . . . 0.0 113.397 168.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 42.1 pt -43.09 -32.67 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 CA-C-N 123.86 3.027 . . . . 0.0 116.141 -179.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.7 m -63.04 -42.57 99.78 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 131.128 3.771 . . . . 0.0 112.105 -175.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . 0.253 18.3 t-20 -104.77 -30.57 9.82 Favored 'General case' 0 N--CA 1.395 -3.18 0 C-N-CA 127.759 2.424 . . . . 0.0 112.011 -177.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 60.6 m -52.38 130.29 30.82 Favored 'General case' 0 CA--C 1.568 1.667 0 CA-C-O 126.655 3.121 . . . . 0.0 113.853 168.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -134.36 150.06 50.89 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-N 112.019 -2.355 . . . . 0.0 110.599 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -133.81 157.5 45.75 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 111.786 -2.461 . . . . 0.0 116.802 -167.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.415 ' HB1' ' NH1' ' A' ' 101' ' ' ARG . . . -125.1 153.01 43.62 Favored 'General case' 0 C--O 1.268 2.059 0 CA-C-N 113.81 -1.541 . . . . 0.0 110.599 -173.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -106.96 115.3 29.94 Favored 'General case' 0 C--N 1.289 -2.063 0 C-N-CA 129.495 3.118 . . . . 0.0 109.508 -165.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.415 ' NH1' ' HB1' ' A' ' 99' ' ' ALA . 0.9 OUTLIER -129.51 76.01 79.2 Favored Pre-proline 0 CA--C 1.57 1.723 0 N-CA-C 105.002 -2.221 . . . . 0.0 105.002 -178.232 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -73.17 167.12 28.16 Favored 'Trans proline' 0 C--O 1.267 1.942 0 O-C-N 123.681 1.358 . . . . 0.0 108.977 164.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 168.62 -158.63 31.4 Favored Glycine 1 N--CA 1.525 4.623 0 CA-C-N 112.865 -1.97 . . . . 0.0 110.263 -174.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -146.99 128.69 15.2 Favored 'General case' 0 C--N 1.394 2.517 0 CA-C-O 112.703 -3.523 . . . . 0.0 113.974 -175.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -153.0 160.97 43.06 Favored 'General case' 0 CA--C 1.557 1.248 0 CA-C-N 124.221 3.191 . . . . 0.0 112.183 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -58.43 177.03 0.15 Allowed 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 118.638 2.829 . . . . 0.0 118.638 156.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -138.45 163.07 32.87 Favored 'General case' 0 CA--C 1.583 2.225 0 N-CA-C 116.444 2.016 . . . . 0.0 116.444 167.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.2 t -132.39 131.38 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.18 0 N-CA-C 104.684 -2.339 . . . . 0.0 104.684 176.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.9 m -133.72 149.51 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 C-N-CA 129.169 2.988 . . . . 0.0 111.788 -163.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.84 150.53 30.25 Favored 'General case' 0 C--N 1.366 1.322 0 O-C-N 119.978 -1.701 . . . . 0.0 110.533 161.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 61.1 m -129.06 162.72 27.02 Favored 'General case' 0 C--O 1.25 1.129 0 O-C-N 124.698 1.249 . . . . 0.0 113.921 -178.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -138.82 -178.63 5.41 Favored 'General case' 0 C--O 1.177 -2.746 0 C-N-CA 123.167 0.587 . . . . 0.0 110.602 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -76.04 163.09 27.49 Favored 'General case' 0 CA--C 1.586 2.347 0 N-CA-C 116.007 1.854 . . . . 0.0 116.007 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -61.27 143.13 56.2 Favored 'General case' 0 C--O 1.196 -1.763 0 O-C-N 120.838 -1.164 . . . . 0.0 110.593 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . 0.282 5.5 t70 -65.72 157.2 80.41 Favored Pre-proline 0 C--O 1.189 -2.104 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 149.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . 0.348 52.7 Cg_exo -50.65 -34.19 42.5 Favored 'Trans proline' 0 CA--C 1.577 2.665 0 CA-C-O 114.706 -2.289 . . . . 0.0 111.714 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -131.65 -23.47 2.31 Favored 'General case' 0 CA--C 1.494 -1.206 0 CA-C-N 122.729 2.513 . . . . 0.0 115.822 -159.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -84.17 139.86 32.12 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 117.106 -3.497 . . . . 0.0 107.229 -175.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 43.7 m 38.25 61.81 4.44 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 129.906 3.282 . . . . 0.0 110.436 176.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -77.56 10.84 2.37 Favored 'Trans proline' 0 N--CA 1.435 -1.965 0 C-N-CA 124.176 3.251 . . . . 0.0 114.894 -168.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 35.4 ttt-85 -77.94 -14.13 59.64 Favored 'General case' 0 C--O 1.17 -3.09 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 172.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.427 ' CG ' HG11 ' A' ' 52' ' ' VAL . 5.5 m-85 -128.45 131.64 23.89 Favored Pre-proline 0 C--O 1.258 1.521 0 O-C-N 119.191 -2.193 . . . . 0.0 114.974 -164.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -71.52 -16.47 30.61 Favored 'Trans proline' 0 C--N 1.377 2.062 0 CA-C-N 123.113 2.148 . . . . 0.0 112.391 178.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.2 m -149.56 165.84 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.473 0 CA-C-O 116.678 -1.629 . . . . 0.0 114.413 -172.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.58 138.47 10.57 Favored Pre-proline 0 C--O 1.259 1.595 0 O-C-N 124.706 1.254 . . . . 0.0 111.141 -161.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -57.31 141.45 94.7 Favored 'Trans proline' 1 N--CA 1.367 -5.914 1 C-N-CA 126.115 4.543 . . . . 0.0 113.297 171.628 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 34.4 m -137.22 -17.74 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.769 0 N-CA-C 118.478 2.77 . . . . 0.0 118.478 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -143.42 158.45 43.63 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 117.154 -1.403 . . . . 0.0 113.898 173.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 22.3 tp -116.7 127.64 54.6 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 113.741 -3.028 . . . . 0.0 110.082 176.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.474 ' O ' ' HB ' ' A' ' 131' ' ' THR . 27.5 t70 -104.58 -35.43 7.85 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-N 123.84 3.018 . . . . 0.0 109.82 -168.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.474 ' HB ' ' O ' ' A' ' 130' ' ' ASP . 15.1 t -166.76 -173.99 2.6 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 124.543 1.137 . . . . 0.0 113.049 160.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 58.5 p -134.69 144.17 47.63 Favored 'General case' 0 N--CA 1.539 3.976 0 O-C-N 118.953 -2.342 . . . . 0.0 114.056 160.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.35 0.2 OUTLIER . . . . . 0 C--N 1.393 2.486 0 CA-C-N 121.819 2.1 . . . . 0.0 112.891 -162.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 203' ' ' SGN . . . . . 0.562 ' H3 ' ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 . . . . . 0 C--O 1.173 -2.955 0 CA-C-O 113.175 -3.298 . . . . 0.0 113.589 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.14 164.23 20.41 Favored 'Trans proline' 0 C--N 1.388 2.634 1 O-C-N 129.155 4.239 . . . . 0.0 114.071 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -74.42 -24.92 13.64 Favored 'Trans proline' 0 CA--C 1.566 2.085 0 N-CA-C 119.162 2.716 . . . . 0.0 119.162 -169.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -138.69 3.91 2.31 Favored 'General case' 0 N--CA 1.512 2.635 0 N-CA-C 119.804 3.261 . . . . 0.0 119.804 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -144.07 153.23 41.97 Favored 'General case' 0 N--CA 1.511 2.619 0 C-N-CA 124.446 1.098 . . . . 0.0 109.369 177.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.0 p -77.3 162.32 27.4 Favored 'General case' 0 C--O 1.262 1.715 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.18 164.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -62.33 -31.68 72.34 Favored 'General case' 0 CA--C 1.556 1.184 0 CA-C-O 112.99 -3.386 . . . . 0.0 108.06 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.9 -27.49 62.87 Favored 'General case' 0 CA--C 1.609 3.225 0 CA-C-N 122.757 2.526 . . . . 0.0 113.266 176.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -74.53 -37.08 63.16 Favored 'General case' 0 CA--C 1.569 1.687 0 C-N-CA 128.323 2.649 . . . . 0.0 109.606 169.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -70.57 -46.6 63.19 Favored 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 116.638 2.088 . . . . 0.0 116.638 174.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -33.86 -56.54 0.47 Allowed 'General case' 0 N--CA 1.438 -1.025 0 C-N-CA 127.407 2.283 . . . . 0.0 115.53 158.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.25 -51.35 61.36 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 124.893 1.277 . . . . 0.0 112.335 -177.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.0 mt -59.66 -25.61 32.35 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.994 0 O-C-N 127.928 3.268 . . . . 0.0 110.193 -174.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -88.55 -23.74 23.08 Favored 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 117.228 2.307 . . . . 0.0 117.228 174.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -137.42 -12.55 1.58 Allowed 'General case' 0 C--O 1.26 1.634 0 O-C-N 119.748 -1.845 . . . . 0.0 114.089 -166.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.1 mm -114.97 133.9 59.72 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.359 0 O-C-N 116.554 -3.841 . . . . 0.0 112.818 -169.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.1 t -161.94 -178.15 6.27 Favored 'General case' 0 CA--C 1.583 2.231 0 CA-C-N 112.572 -2.104 . . . . 0.0 111.036 -159.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.6 tp -158.31 -22.97 0.08 Allowed 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 112.411 -2.177 . . . . 0.0 113.315 172.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -157.92 72.04 4.14 Favored Pre-proline 0 CA--C 1.592 2.558 0 CA-C-N 124.844 3.474 . . . . 0.0 106.856 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.33 151.98 49.15 Favored 'Trans proline' 0 C--N 1.398 3.144 0 CA-C-O 122.68 1.033 . . . . 0.0 112.233 -165.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -70.48 174.6 9.89 Favored 'Trans proline' 0 CA--C 1.577 2.628 0 CA-C-O 123.662 1.442 . . . . 0.0 111.021 170.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.4 mmt-85 -58.79 152.98 17.87 Favored 'General case' 0 N--CA 1.428 -1.571 1 O-C-N 115.593 -4.442 . . . . 0.0 109.407 175.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.522 ' SG ' ' HA ' ' A' ' 100' ' ' ASP . 5.6 m -48.65 -34.86 12.59 Favored 'General case' 0 C--N 1.399 2.726 0 C-N-CA 127.945 2.498 . . . . 0.0 113.672 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.3 p -48.6 -48.18 39.37 Favored 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 131.462 3.905 . . . . 0.0 108.813 170.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 37.4 mm -89.24 -35.82 8.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 O-C-N 118.247 -2.783 . . . . 0.0 114.438 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.87 -39.91 55.59 Favored 'General case' 0 N--CA 1.511 2.586 0 O-C-N 119.7 -1.875 . . . . 0.0 113.616 -173.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 83.4 mmm -62.99 -16.15 58.7 Favored 'General case' 0 C--N 1.41 3.213 0 O-C-N 120.146 -1.596 . . . . 0.0 112.168 172.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -65.91 -17.72 64.85 Favored 'General case' 0 N--CA 1.508 2.444 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 165.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.71 -36.77 72.46 Favored 'General case' 0 N--CA 1.411 -2.391 0 O-C-N 119.934 -1.729 . . . . 0.0 114.576 171.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 pt -97.87 -59.87 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.547 0 CA-C-O 123.746 1.736 . . . . 0.0 108.679 173.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -76.45 -11.41 59.88 Favored 'General case' 0 CA--C 1.562 1.438 0 O-C-N 116.783 -3.698 . . . . 0.0 114.994 -159.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -102.69 27.09 7.24 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 128.921 2.888 . . . . 0.0 117.53 165.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -144.09 -37.86 0.31 Allowed 'General case' 0 N--CA 1.498 1.972 0 CA-C-O 114.102 -2.856 . . . . 0.0 105.363 -175.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -86.5 163.53 17.47 Favored 'General case' 0 CA--C 1.571 1.767 0 CA-C-N 120.821 1.646 . . . . 0.0 110.16 170.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 16.1 p-90 -57.05 -29.44 63.41 Favored 'General case' 0 N--CA 1.393 -3.318 1 N-CA-C 122.345 4.202 . . . . 0.0 122.345 174.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -132.39 170.51 14.99 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 127.599 2.36 . . . . 0.0 114.446 171.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 78.3 m -58.4 172.27 0.49 Allowed 'General case' 0 N--CA 1.5 2.04 0 O-C-N 127.239 2.837 . . . . 0.0 116.966 165.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.45 ' CG ' ' HN ' ' A' ' 203' ' ' SGN . 22.3 tttt -149.54 144.82 26.49 Favored 'General case' 0 CA--C 1.502 -0.896 0 C-N-CA 131.562 3.945 . . . . 0.0 110.343 172.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -66.97 -48.82 67.35 Favored 'General case' 0 N--CA 1.403 -2.822 0 N-CA-C 121.52 3.896 . . . . 0.0 121.52 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -141.81 150.91 42.28 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-O 123.464 1.602 . . . . 0.0 106.906 -176.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -151.34 148.97 28.79 Favored 'General case' 0 N--CA 1.503 2.185 0 C-N-CA 127.409 2.284 . . . . 0.0 113.611 163.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.2 m -114.82 142.24 46.82 Favored 'General case' 0 C--O 1.195 -1.797 0 O-C-N 128.685 3.74 . . . . 0.0 108.936 174.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -124.0 151.64 43.49 Favored 'General case' 0 CA--C 1.581 2.168 0 O-C-N 118.07 -2.894 . . . . 0.0 112.397 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.3 mt -136.46 132.59 35.58 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-N 121.531 1.969 . . . . 0.0 113.438 -166.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -92.78 77.82 4.82 Favored 'General case' 0 N--CA 1.395 -3.221 0 C-N-CA 128.612 2.765 . . . . 0.0 111.483 -174.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.9 t -153.14 159.15 42.68 Favored 'General case' 0 CA--C 1.558 1.268 0 CA-C-N 111.894 -2.412 . . . . 0.0 115.446 -178.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.9 p -74.71 127.31 32.83 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-O 114.333 -2.746 . . . . 0.0 110.893 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -40.63 -42.45 1.71 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 128.901 2.88 . . . . 0.0 108.282 170.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.17 -46.27 54.07 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 129.199 2.999 . . . . 0.0 116.307 170.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -69.29 -35.19 75.76 Favored 'General case' 0 C--N 1.282 -2.331 0 CA-C-N 121.326 1.876 . . . . 0.0 110.66 176.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.0 t -68.75 -36.58 74.96 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.289 0 O-C-N 117.78 -3.075 . . . . 0.0 111.217 177.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.41 ' O ' ' HB2' ' A' ' 55' ' ' CYS . 82.0 t -62.28 -47.29 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 125.239 1.587 . . . . 0.0 114.988 161.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . 0.301 21.6 t-20 -52.03 -36.68 50.95 Favored 'General case' 0 CA--C 1.585 2.308 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 165.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.1 t -72.36 -36.85 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.993 0 O-C-N 119.468 -2.02 . . . . 0.0 111.943 176.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 63.3 m -56.72 -10.25 0.98 Allowed 'General case' 0 CA--C 1.592 2.591 0 N-CA-C 117.439 2.385 . . . . 0.0 117.439 157.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.15 -26.31 19.14 Favored Glycine 1 CA--C 1.583 4.285 0 CA-C-O 126.785 3.436 . . . . 0.0 110.296 176.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -62.13 164.16 7.19 Favored 'General case' 0 N--CA 1.506 2.354 0 N-CA-C 118.798 2.888 . . . . 0.0 118.798 170.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -34.32 136.64 0.13 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 128.312 2.645 . . . . 0.0 113.6 174.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 m -73.93 131.32 41.33 Favored 'General case' 0 N--CA 1.525 3.299 0 CA-C-O 117.12 -1.419 . . . . 0.0 112.921 174.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.56 HG13 ' SG ' ' A' ' 71' ' ' CYS . 20.9 pt -136.98 -162.65 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.251 1.183 0 O-C-N 124.456 1.097 . . . . 0.0 108.923 174.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -147.46 153.07 39.11 Favored 'General case' 0 N--CA 1.517 2.893 0 C-N-CA 119.517 -0.873 . . . . 0.0 109.539 -175.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 68.0 m -143.88 153.36 57.32 Favored Pre-proline 0 CA--C 1.607 3.146 0 CA-C-O 116.015 -1.945 . . . . 0.0 109.887 -151.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -54.09 -8.88 1.13 Allowed 'Trans proline' 0 C--O 1.244 0.777 1 N-CA-C 122.965 4.179 . . . . 0.0 122.965 177.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 53.1 m80 -132.86 27.03 4.3 Favored 'General case' 0 CA--C 1.599 2.839 0 CA-C-O 116.466 -1.73 . . . . 0.0 109.817 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -130.49 -5.51 4.21 Favored 'General case' 0 N--CA 1.515 2.794 0 N-CA-C 116.5 2.037 . . . . 0.0 116.5 -168.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.3 ptt-85 -46.07 -17.16 0.03 OUTLIER 'General case' 0 C--N 1.39 2.338 0 O-C-N 119.585 -1.947 . . . . 0.0 116.161 170.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -43.59 -36.1 1.98 Allowed 'General case' 0 N--CA 1.422 -1.839 0 O-C-N 116.937 -3.602 . . . . 0.0 114.95 155.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -150.17 3.32 0.51 Allowed 'General case' 0 N--CA 1.513 2.682 0 CA-C-N 124.576 3.353 . . . . 0.0 113.558 173.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 44.08 47.19 7.37 Favored 'General case' 0 C--O 1.284 2.885 0 C-N-CA 127.432 2.293 . . . . 0.0 114.203 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -134.36 117.91 16.87 Favored 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 125.029 1.331 . . . . 0.0 112.265 166.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.56 ' SG ' HG13 ' A' ' 60' ' ' ILE . 31.3 p -145.2 -178.16 5.92 Favored 'General case' 0 C--N 1.31 -1.14 0 C-N-CA 129.104 2.961 . . . . 0.0 108.336 175.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.49 ' O ' HG13 ' A' ' 108' ' ' VAL . 96.6 m-70 -148.75 168.92 21.64 Favored 'General case' 0 CA--C 1.446 -3.039 0 C-N-CA 126.138 1.775 . . . . 0.0 112.772 -174.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 29.9 ptt85 -146.33 151.93 38.31 Favored 'General case' 0 N--CA 1.503 2.177 0 CA-C-N 114.08 -1.418 . . . . 0.0 110.474 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 67.8 p -63.77 155.69 29.51 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 126.361 2.288 . . . . 0.0 113.728 -170.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.6 mtt-85 -85.1 -38.03 19.58 Favored 'General case' 0 C--O 1.257 1.456 0 C-N-CA 125.668 1.587 . . . . 0.0 114.263 174.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -142.61 152.06 42.12 Favored 'General case' 0 CA--C 1.574 1.902 1 C-N-CA 132.328 4.251 . . . . 0.0 108.738 -176.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -73.09 167.6 20.8 Favored 'General case' 0 C--O 1.214 -0.776 0 N-CA-C 118.742 2.867 . . . . 0.0 118.742 178.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.2 m -135.85 148.03 63.53 Favored Pre-proline 0 C--N 1.379 1.884 0 CA-C-O 115.873 -2.013 . . . . 0.0 110.137 175.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -60.96 141.02 93.24 Favored 'Trans proline' 0 CA--C 1.511 -0.674 0 O-C-N 128.614 3.955 . . . . 0.0 109.741 168.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 pp -140.45 160.93 38.92 Favored 'General case' 0 CA--C 1.503 -0.852 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 34.6 tp -117.26 124.99 50.38 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 129.848 3.259 . . . . 0.0 110.139 174.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -117.61 138.13 52.16 Favored 'General case' 0 CA--C 1.595 2.707 0 C-N-CA 127.132 2.173 . . . . 0.0 106.424 176.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 97.2 m -114.44 160.33 19.3 Favored 'General case' 0 C--N 1.291 -1.944 0 CA-C-N 113.067 -1.878 . . . . 0.0 110.736 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -158.22 115.56 2.91 Favored 'General case' 0 N--CA 1.505 2.3 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 -156.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 24.0 tp -86.87 129.86 34.7 Favored 'General case' 0 C--N 1.37 1.461 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -177.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . 0.288 35.8 pt -43.8 -41.6 1.62 Allowed 'Isoleucine or valine' 0 C--O 1.283 2.83 0 N-CA-C 119.405 3.113 . . . . 0.0 119.405 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -139.59 109.36 7.3 Favored Pre-proline 0 C--O 1.21 -0.996 0 C-N-CA 131.517 3.927 . . . . 0.0 113.292 177.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -42.09 -24.32 0.31 Allowed 'Trans proline' 0 CA--C 1.57 2.277 1 C-N-CA 128.587 6.191 . . . . 0.0 120.976 166.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -93.19 12.58 69.53 Favored Glycine 0 CA--C 1.565 3.208 0 O-C-N 124.997 1.436 . . . . 0.0 111.806 -176.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -99.25 146.96 25.65 Favored 'General case' 0 N--CA 1.506 2.373 0 O-C-N 118.443 -2.798 . . . . 0.0 110.27 176.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -134.91 -16.07 1.98 Allowed 'General case' 0 CA--C 1.58 2.103 0 O-C-N 117.782 -3.074 . . . . 0.0 108.733 -156.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -114.2 136.23 53.18 Favored 'General case' 0 CA--C 1.588 2.435 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -164.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 9.0 pt -45.91 -46.05 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.132 0 O-C-N 117.532 -3.23 . . . . 0.0 117.756 174.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.5 m -81.58 13.86 2.87 Favored 'General case' 0 C--O 1.276 2.478 0 C-N-CA 128.095 2.558 . . . . 0.0 113.78 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -136.55 -36.56 0.71 Allowed 'General case' 0 C--N 1.37 1.481 0 CA-C-O 114.274 -2.774 . . . . 0.0 107.81 174.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 56.2 m -66.58 141.28 57.89 Favored 'General case' 0 N--CA 1.413 -2.295 0 CA-C-N 123.848 3.022 . . . . 0.0 111.604 175.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -149.83 157.44 43.2 Favored 'General case' 0 N--CA 1.432 -1.33 0 C-N-CA 130.185 3.394 . . . . 0.0 112.655 178.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -139.71 156.01 47.04 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 115.887 1.81 . . . . 0.0 115.887 -163.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -122.54 153.81 38.73 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 116.867 -1.54 . . . . 0.0 112.667 172.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.522 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -80.75 146.98 30.73 Favored 'General case' 0 N--CA 1.524 3.234 0 CA-C-N 119.876 1.216 . . . . 0.0 111.348 177.538 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -141.36 75.23 23.2 Favored Pre-proline 0 N--CA 1.424 -1.743 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 160.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . 0.466 13.0 Cg_endo -51.65 143.94 35.44 Favored 'Trans proline' 0 CA--C 1.556 1.579 1 C-N-CA 128.994 6.463 . . . . 0.0 114.175 167.769 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -160.28 -176.14 32.04 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 107.239 -2.344 . . . . 0.0 107.239 -165.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -155.17 119.9 4.8 Favored 'General case' 1 N--CA 1.543 4.211 0 CA-C-N 113.616 -1.292 . . . . 0.0 108.359 163.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 73.2 mtm-85 -137.76 175.98 9.11 Favored 'General case' 0 C--O 1.257 1.485 0 C-N-CA 126.607 1.963 . . . . 0.0 111.982 178.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -87.93 167.67 13.53 Favored 'General case' 0 C--N 1.376 1.719 0 N-CA-C 106.779 -1.563 . . . . 0.0 106.779 167.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -148.25 166.87 26.66 Favored 'General case' 0 C--O 1.247 0.937 0 O-C-N 120.33 -1.481 . . . . 0.0 114.73 -176.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 72' ' ' HIS . 42.6 t -134.43 143.96 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.301 0 C-N-CA 126.26 1.824 . . . . 0.0 106.975 -173.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 10.0 m -141.25 164.58 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.469 -178.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -121.09 153.76 37.02 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 102.047 -3.316 . . . . 0.0 102.047 161.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 77.7 m -139.95 158.24 44.39 Favored 'General case' 0 C--O 1.193 -1.899 0 C-N-CA 126.85 2.06 . . . . 0.0 113.728 -161.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -138.63 173.97 11.03 Favored 'General case' 0 CA--C 1.548 0.865 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 176.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -69.62 158.99 34.25 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 116.918 -3.614 . . . . 0.0 110.863 169.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -66.36 174.55 2.63 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 116.874 2.176 . . . . 0.0 116.874 -175.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -116.16 134.55 22.77 Favored Pre-proline 0 CA--C 1.561 1.369 0 CA-C-N 113.156 -1.838 . . . . 0.0 113.326 164.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -47.45 -13.26 0.15 Allowed 'Trans proline' 1 N--CA 1.542 4.346 1 N-CA-C 122.509 4.003 . . . . 0.0 122.509 177.483 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . 0.269 67.1 mtt85 -133.45 16.27 4.04 Favored 'General case' 0 C--O 1.187 -2.189 0 C-N-CA 126.966 2.106 . . . . 0.0 114.203 -172.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -140.29 145.96 37.94 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-N 112.162 -2.29 . . . . 0.0 114.515 174.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . 0.273 3.5 m 39.28 56.52 6.02 Favored Pre-proline 0 N--CA 1.492 1.642 0 C-N-CA 128.032 2.533 . . . . 0.0 112.694 -177.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -55.46 -20.86 27.9 Favored 'Trans proline' 0 C--N 1.381 2.269 1 C-N-CA 127.647 5.565 . . . . 0.0 116.352 -171.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 33.8 ttt85 -67.89 -17.31 64.44 Favored 'General case' 0 CA--C 1.593 2.63 0 CA-C-O 115.146 -2.359 . . . . 0.0 115.996 175.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -126.68 148.81 66.31 Favored Pre-proline 0 N--CA 1.527 3.384 0 CA-C-N 121.077 1.762 . . . . 0.0 113.918 -164.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -78.65 -24.19 7.63 Favored 'Trans proline' 0 CA--C 1.567 2.14 0 CA-C-N 121.378 1.528 . . . . 0.0 114.251 174.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 29.8 m -137.36 160.18 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 CA-C-O 124.614 2.15 . . . . 0.0 110.097 -177.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 4.0 m -126.37 149.25 66.84 Favored Pre-proline 0 C--O 1.29 3.209 0 O-C-N 117.37 -3.331 . . . . 0.0 116.947 171.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -73.16 147.32 42.38 Favored 'Trans proline' 0 C--N 1.3 -2.019 1 C-N-CA 128.109 5.872 . . . . 0.0 110.561 164.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.4 m -137.7 -14.35 0.59 Allowed 'Isoleucine or valine' 1 N--CA 1.54 4.027 0 N-CA-C 115.547 1.684 . . . . 0.0 115.547 -174.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -161.75 126.42 3.4 Favored 'General case' 0 N--CA 1.51 2.539 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 172.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 8.5 tp -76.32 117.72 18.28 Favored 'General case' 0 C--O 1.187 -2.219 0 C-N-CA 128.858 2.863 . . . . 0.0 103.548 172.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -86.36 -47.53 9.27 Favored 'General case' 0 C--N 1.287 -2.146 0 N-CA-C 116.882 2.179 . . . . 0.0 116.882 174.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 5.2 t -161.91 173.42 14.52 Favored 'General case' 0 C--O 1.205 -1.239 0 CA-C-N 122.385 2.357 . . . . 0.0 113.652 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 64.5 p -126.96 158.74 36.05 Favored 'General case' 0 CA--C 1.491 -1.29 0 O-C-N 126.699 2.5 . . . . 0.0 107.655 169.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.265 0.2 OUTLIER . . . . . 0 N--CA 1.512 2.664 0 CA-C-O 114.309 -2.758 . . . . 0.0 112.101 -173.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' LVZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' IDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 203' ' ' SGN . . . . . 0.45 ' HN ' ' CG ' ' A' ' 38' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_