==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-JUL-03 1Q0G . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [NI]; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES SEOULENSIS; . AUTHOR J.WUERGES,J.-W.LEE,Y.-I.YIM,H.-S.YIM,S.-O.KANG,K.DJINOVIC . 1404 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52941.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1079 76.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 15 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 959 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 12 0 0 0 0 0 0 0 0 0 12 5 2 5 0 1 2 9 0 0 0 12 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A H 0 0 14 0, 0.0 8,-0.1 0, 0.0 61,-0.1 0.000 360.0 360.0 360.0 -1.9 3.5 24.8 6.2 2 2 A C - 0 0 12 6,-0.1 280,-0.0 59,-0.0 281,-0.0 0.386 360.0-118.7 -96.4 -1.0 5.6 27.7 7.7 3 3 A D S S+ 0 0 12 54,-0.0 677,-0.0 1,-0.0 676,-0.0 0.644 92.3 99.7 73.7 17.2 3.7 27.6 11.0 4 4 A L S S- 0 0 3 272,-0.1 2,-0.1 275,-0.0 272,-0.1 0.950 107.5-109.8 -64.1 -48.5 2.4 31.1 10.7 5 5 A P + 0 0 76 0, 0.0 271,-0.0 0, 0.0 56,-0.0 0.544 60.5 171.1 -82.3 154.3 -0.0 29.4 9.9 6 6 A C - 0 0 3 2,-0.2 3,-0.1 -2,-0.1 257,-0.1 0.587 40.0-130.7-102.0 -16.5 -0.2 30.2 6.2 7 7 A G + 0 0 47 1,-0.2 2,-0.6 253,-0.0 249,-0.0 0.531 67.7 121.5 78.6 5.8 -2.8 27.6 5.2 8 8 A V + 0 0 24 245,-0.0 2,-0.3 248,-0.0 -1,-0.2 -0.914 29.8 150.7-108.6 117.7 -0.7 26.3 2.3 9 9 A Y + 0 0 27 -2,-0.6 3,-0.0 -3,-0.1 49,-0.0 -0.986 13.8 169.9-142.4 151.0 0.3 22.6 2.3 10 10 A D > - 0 0 44 -2,-0.3 3,-2.1 1,-0.0 4,-0.4 -0.801 32.3-144.7-164.6 120.1 1.0 20.0 -0.2 11 11 A P T 3> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 3,-0.4 0.643 91.8 88.2 -59.2 -11.4 2.5 16.5 0.2 12 12 A A H 3> S+ 0 0 6 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.833 77.7 62.0 -56.3 -33.8 4.1 17.2 -3.2 13 13 A Q H <> S+ 0 0 16 -3,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.940 108.5 40.8 -58.7 -47.6 7.0 18.8 -1.3 14 14 A A H > S+ 0 0 0 -3,-0.4 4,-2.3 -4,-0.4 -2,-0.2 0.922 114.2 53.9 -66.1 -43.6 7.8 15.4 0.4 15 15 A R H X S+ 0 0 83 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.909 105.1 52.0 -58.8 -47.4 7.2 13.5 -2.8 16 16 A I H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.906 112.2 45.5 -59.5 -42.0 9.6 15.5 -5.0 17 17 A E H X S+ 0 0 4 -4,-1.4 4,-1.9 -5,-0.2 -1,-0.2 0.901 112.9 50.5 -68.8 -38.4 12.4 15.0 -2.6 18 18 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.838 107.0 55.7 -66.0 -32.7 11.7 11.3 -2.2 19 19 A E H X S+ 0 0 70 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.898 106.4 50.0 -65.6 -39.9 11.7 11.1 -6.0 20 20 A S H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.891 107.1 55.9 -64.9 -38.6 15.2 12.5 -6.0 21 21 A V H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.953 111.2 42.0 -58.8 -49.6 16.2 9.9 -3.4 22 22 A K H X S+ 0 0 47 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.904 113.0 53.8 -65.7 -39.6 15.1 7.0 -5.5 23 23 A A H X S+ 0 0 15 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.902 108.9 49.2 -60.7 -41.2 16.5 8.6 -8.7 24 24 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.898 108.4 53.3 -65.2 -40.1 19.9 8.9 -7.0 25 25 A Q H X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.901 107.1 52.1 -62.0 -39.9 19.8 5.3 -5.8 26 26 A E H X S+ 0 0 104 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.913 110.5 47.9 -62.9 -41.3 19.2 4.2 -9.4 27 27 A K H X S+ 0 0 79 -4,-1.9 4,-1.3 1,-0.2 3,-0.4 0.858 107.0 56.6 -67.6 -34.7 22.2 6.2 -10.5 28 28 A M H < S+ 0 0 7 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.819 101.7 57.0 -66.3 -30.7 24.4 4.7 -7.8 29 29 A A H < S+ 0 0 79 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.811 111.7 42.1 -70.4 -28.5 23.6 1.2 -8.9 30 30 A A H < S+ 0 0 94 -4,-0.9 2,-0.5 -3,-0.4 -2,-0.2 0.645 112.3 52.2 -93.8 -18.1 25.0 2.0 -12.4 31 31 A N < + 0 0 65 -4,-1.3 -1,-0.2 1,-0.1 -4,-0.0 -0.919 52.8 178.5-126.4 107.9 28.1 4.0 -11.6 32 32 A D + 0 0 147 -2,-0.5 -1,-0.1 -3,-0.1 -4,-0.1 0.328 34.3 135.4 -89.2 7.5 30.6 2.5 -9.1 33 33 A D > - 0 0 81 1,-0.1 4,-2.6 2,-0.1 5,-0.2 -0.352 57.5-132.3 -58.4 130.7 33.1 5.4 -9.3 34 34 A L H > S+ 0 0 57 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.910 102.4 46.1 -52.5 -53.0 34.2 6.2 -5.7 35 35 A H H > S+ 0 0 50 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.867 113.0 50.1 -63.5 -34.6 33.8 10.0 -5.9 36 36 A F H > S+ 0 0 35 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.930 109.6 52.0 -67.4 -42.6 30.4 9.7 -7.5 37 37 A Q H X S+ 0 0 11 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.881 110.9 48.4 -59.4 -39.5 29.4 7.2 -4.8 38 38 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.957 114.3 44.2 -65.8 -50.9 30.5 9.8 -2.2 39 39 A R H X S+ 0 0 11 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.911 113.5 50.9 -60.5 -43.7 28.7 12.7 -3.8 40 40 A A H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.874 110.8 49.4 -62.4 -38.4 25.5 10.6 -4.3 41 41 A T H X S+ 0 0 3 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.938 111.7 48.6 -65.9 -46.5 25.6 9.5 -0.7 42 42 A V H X S+ 0 0 6 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.936 116.5 41.8 -57.7 -50.3 26.0 13.1 0.5 43 43 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.887 111.8 53.4 -68.5 -40.6 23.2 14.4 -1.6 44 44 A K H X S+ 0 0 3 -4,-2.5 4,-2.5 -5,-0.2 5,-0.3 0.903 107.3 53.7 -61.2 -39.1 20.8 11.5 -1.0 45 45 A E H X S+ 0 0 12 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.934 110.7 46.8 -59.9 -45.5 21.2 12.1 2.7 46 46 A Q H X S+ 0 0 76 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.904 113.8 45.4 -64.9 -44.4 20.2 15.7 2.3 47 47 A R H X S+ 0 0 36 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.871 112.1 51.2 -71.1 -34.7 17.2 15.1 0.1 48 48 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.890 108.8 52.8 -67.3 -38.0 15.9 12.3 2.3 49 49 A E H X S+ 0 0 69 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.907 108.9 49.2 -63.2 -41.6 16.2 14.6 5.3 50 50 A L H X S+ 0 0 63 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.914 109.5 52.1 -64.2 -41.3 14.2 17.3 3.5 51 51 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.917 109.5 49.4 -60.8 -42.6 11.5 14.7 2.7 52 52 A K H X S+ 0 0 6 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.916 109.7 52.4 -62.2 -42.3 11.3 13.6 6.3 53 53 A H H X S+ 0 0 64 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.928 107.9 50.5 -59.9 -46.2 11.0 17.3 7.4 54 54 A H H X S+ 0 0 27 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.883 112.6 46.4 -60.9 -39.4 8.1 17.9 5.0 55 55 A L H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.903 109.7 53.9 -69.2 -40.6 6.3 14.8 6.3 56 56 A D H X S+ 0 0 9 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.893 107.5 52.2 -59.4 -39.5 7.0 15.9 9.9 57 57 A V H X>S+ 0 0 13 -4,-2.3 4,-2.7 2,-0.2 5,-1.3 0.896 108.3 49.2 -65.1 -40.5 5.4 19.3 9.1 58 58 A L H <>S+ 0 0 9 -4,-1.7 5,-3.0 3,-0.2 -1,-0.2 0.937 115.5 45.4 -62.9 -43.7 2.2 17.7 7.7 59 59 A W H <5S+ 0 0 0 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.902 122.6 33.5 -65.4 -45.4 2.0 15.5 10.8 60 60 A S H <5S+ 0 0 2 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.845 133.6 20.7 -82.9 -35.6 2.7 18.3 13.3 61 61 A D T <5S+ 0 0 13 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.1 0.863 125.7 36.5-103.9 -48.4 1.1 21.3 11.7 62 62 A Y T > - 0 0 90 -2,-0.2 4,-1.6 1,-0.0 3,-1.3 -0.660 38.9 -89.3-113.5 169.3 -5.4 18.0 13.5 65 65 A P H 3> S+ 0 0 83 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.866 123.8 57.2 -47.0 -44.5 -7.0 15.8 16.2 66 66 A P H 3> S+ 0 0 79 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.859 106.4 51.4 -57.8 -33.2 -10.2 15.3 14.1 67 67 A H H <> S+ 0 0 38 -3,-1.3 4,-2.2 2,-0.2 7,-0.2 0.889 107.7 49.6 -70.3 -41.8 -8.0 13.8 11.3 68 68 A F H < S+ 0 0 21 -4,-1.6 -1,-0.2 2,-0.2 6,-0.2 0.776 111.6 51.7 -68.9 -23.9 -6.3 11.3 13.6 69 69 A E H < S+ 0 0 161 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.914 112.0 44.4 -75.9 -44.5 -9.7 10.3 14.8 70 70 A S H < S+ 0 0 83 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.811 124.9 35.4 -68.6 -31.8 -11.0 9.8 11.3 71 71 A Y >< + 0 0 48 -4,-2.2 3,-2.1 -5,-0.1 4,-0.4 -0.748 66.4 176.8-125.4 81.7 -7.8 7.9 10.3 72 72 A P T 3 S+ 0 0 105 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.644 82.3 57.4 -60.5 -13.4 -6.6 5.9 13.3 73 73 A E T 3> S+ 0 0 95 1,-0.1 4,-2.7 2,-0.1 5,-0.2 0.529 81.4 91.6 -93.4 -7.4 -3.8 4.5 11.1 74 74 A L H <> S+ 0 0 0 -3,-2.1 4,-2.6 1,-0.2 5,-0.3 0.877 81.4 51.3 -57.6 -46.5 -2.4 8.0 10.2 75 75 A H H > S+ 0 0 21 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.952 115.1 44.2 -56.4 -49.1 0.1 8.3 13.1 76 76 A T H > S+ 0 0 66 -4,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.920 111.8 53.9 -61.4 -45.0 1.6 4.9 12.2 77 77 A L H X S+ 0 0 6 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.918 111.4 43.2 -58.1 -47.8 1.5 5.6 8.5 78 78 A V H X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.908 114.0 51.9 -67.9 -37.1 3.5 8.9 8.8 79 79 A N H X S+ 0 0 7 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.897 110.4 48.6 -65.0 -38.3 5.9 7.2 11.2 80 80 A E H X S+ 0 0 76 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.900 109.5 54.2 -65.4 -41.1 6.5 4.4 8.8 81 81 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.930 110.6 43.5 -60.2 -48.6 7.0 6.9 6.0 82 82 A V H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.877 113.7 51.5 -68.4 -33.3 9.8 8.8 7.8 83 83 A K H X S+ 0 0 48 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.862 107.1 54.5 -69.2 -32.2 11.4 5.5 9.0 84 84 A A H X S+ 0 0 13 -4,-2.3 4,-1.9 1,-0.2 16,-0.2 0.871 107.2 50.5 -67.0 -35.9 11.3 4.3 5.3 85 85 A L H X S+ 0 0 1 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.869 107.5 52.8 -69.7 -35.5 13.2 7.5 4.4 86 86 A S H X S+ 0 0 22 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.909 109.4 50.1 -63.7 -39.0 15.7 6.8 7.2 87 87 A A H < S+ 0 0 50 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.881 107.4 53.5 -65.6 -37.6 16.1 3.3 5.6 88 88 A A H >< S+ 0 0 0 -4,-1.9 3,-1.5 8,-0.2 -1,-0.2 0.850 102.1 58.8 -65.9 -35.5 16.6 4.9 2.2 89 89 A K H 3< S+ 0 0 6 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.898 109.4 44.7 -58.6 -40.7 19.4 7.1 3.6 90 90 A A T 3< S+ 0 0 63 -4,-1.3 2,-0.3 -5,-0.1 -1,-0.3 0.271 110.7 69.4 -88.3 11.9 21.3 3.9 4.6 91 91 A S < - 0 0 29 -3,-1.5 -66,-0.0 -5,-0.1 6,-0.0 -0.941 50.8-165.6-135.3 153.8 20.7 2.2 1.3 92 92 A T + 0 0 52 -2,-0.3 -63,-0.2 -64,-0.1 -64,-0.1 0.290 65.7 110.6-110.8 3.3 21.6 2.3 -2.4 93 93 A D >> - 0 0 86 1,-0.1 3,-2.2 -65,-0.1 4,-0.8 -0.719 64.3-147.9 -84.3 115.5 18.7 -0.1 -3.3 94 94 A P H 3> S+ 0 0 30 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.703 93.1 74.5 -54.7 -21.1 16.0 1.8 -5.2 95 95 A A H 3> S+ 0 0 58 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.833 93.2 52.1 -63.2 -32.2 13.5 -0.5 -3.6 96 96 A T H <> S+ 0 0 32 -3,-2.2 4,-1.8 2,-0.2 -8,-0.2 0.902 108.6 49.2 -71.8 -39.2 13.9 1.5 -0.3 97 97 A G H X S+ 0 0 1 -4,-0.8 4,-2.1 1,-0.2 -2,-0.2 0.907 111.0 51.6 -64.9 -38.2 13.3 4.8 -2.1 98 98 A Q H X S+ 0 0 64 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.857 104.4 55.5 -67.0 -35.2 10.2 3.3 -3.7 99 99 A K H X S+ 0 0 102 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.915 107.7 49.5 -63.8 -41.6 8.8 2.1 -0.3 100 100 A A H X S+ 0 0 1 -4,-1.8 4,-2.5 -16,-0.2 -2,-0.2 0.942 110.9 50.0 -61.4 -45.3 9.1 5.6 1.0 101 101 A L H X S+ 0 0 24 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.860 106.4 56.4 -61.2 -35.9 7.2 6.9 -2.1 102 102 A D H X S+ 0 0 70 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.924 110.8 43.3 -61.8 -44.7 4.5 4.2 -1.6 103 103 A Y H X S+ 0 0 36 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.892 110.7 54.5 -68.6 -39.3 3.8 5.5 1.9 104 104 A I H X S+ 0 0 3 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.887 106.1 53.7 -61.8 -37.2 4.0 9.2 0.8 105 105 A A H X S+ 0 0 61 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.864 108.8 48.5 -64.9 -36.0 1.3 8.3 -1.8 106 106 A Q H X S+ 0 0 98 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.886 112.8 47.8 -70.7 -38.1 -0.9 6.9 0.9 107 107 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.908 110.0 53.3 -66.9 -40.8 -0.4 10.0 3.0 108 108 A D H X S+ 0 0 40 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.892 106.3 53.0 -60.6 -41.6 -1.1 12.1 -0.1 109 109 A K H X S+ 0 0 140 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.933 112.1 44.0 -60.9 -45.8 -4.4 10.3 -0.6 110 110 A I H X S+ 0 0 11 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.906 109.8 57.4 -65.8 -41.5 -5.5 10.9 3.0 111 111 A F H X S+ 0 0 0 -4,-2.8 4,-0.6 1,-0.2 3,-0.2 0.944 110.0 43.1 -54.1 -51.8 -4.3 14.6 2.8 112 112 A W H X S+ 0 0 97 -4,-2.4 4,-0.6 1,-0.2 3,-0.5 0.815 108.3 59.0 -68.7 -27.0 -6.6 15.3 -0.2 113 113 A E H >X S+ 0 0 68 -4,-1.6 4,-1.6 1,-0.2 3,-0.9 0.883 103.1 53.1 -67.2 -35.3 -9.5 13.4 1.4 114 114 A T H 3< S+ 0 0 11 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.690 104.7 56.8 -71.6 -16.0 -9.3 15.8 4.3 115 115 A K H 3< S+ 0 0 100 -4,-0.6 -1,-0.2 -3,-0.5 -2,-0.2 0.612 105.3 51.1 -86.9 -15.8 -9.5 18.6 1.8 116 116 A K H << 0 0 155 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.1 0.835 360.0 360.0 -88.0 -38.4 -12.8 17.3 0.4 117 117 A A < 0 0 142 -4,-1.6 -2,-0.2 0, 0.0 -3,-0.1 0.994 360.0 360.0 -74.4 360.0 -14.6 16.9 3.8 118 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 119 1 B H 0 0 13 0, 0.0 8,-0.1 0, 0.0 61,-0.1 0.000 360.0 360.0 360.0 0.4 23.4 41.2 -0.5 120 2 B C - 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