==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 02-JUN-11 2YLI . COMPND 2 MOLECULE: CYTOCHROME C'; . SOURCE 2 ORGANISM_SCIENTIFIC: ACHROMOBACTER XYLOSOXIDANS; . AUTHOR S.V.ANTONYUK,R.R.EADY,S.S.HASNAIN . 127 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7646.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 100 78.7 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 . 2 1.6 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 . 3 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 60.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 2 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 1 0 1 0 0 0 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 . 1 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 X 0 0 168 0, 0.0 2,-0.5 0, 0.0 57,-0.0 0.000 360.0 360.0 360.0 12.0 -5.6 23.1 26.8 2 2 A F - 0 0 60 1,-0.1 4,-0.0 9,-0.0 6,-0.0 -0.917 360.0-162.3-119.6 121.1 -2.0 21.9 27.0 3 3 A A S S+ 0 0 94 -2,-0.5 -1,-0.1 1,-0.1 3,-0.0 0.878 82.3 7.9 -67.5 -38.6 -1.0 18.4 27.8 4 4 A K S >> S- 0 0 138 1,-0.0 3,-1.3 59,-0.0 4,-1.2 -0.907 83.5-102.8-135.7 162.7 2.6 19.4 28.8 5 5 A P H 3> S+ 0 0 59 0, 0.0 4,-2.3 0, 0.0 3,-0.4 0.875 119.0 64.7 -55.1 -35.2 4.4 22.7 29.2 6 6 A E H 3> S+ 0 0 130 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.825 97.4 55.4 -58.2 -33.7 6.0 22.1 25.8 7 7 A D H <> S+ 0 0 66 -3,-1.3 4,-2.4 2,-0.2 -1,-0.3 0.866 107.3 48.8 -68.0 -39.1 2.5 22.4 24.2 8 8 A A H X S+ 0 0 0 -4,-1.2 4,-2.6 -3,-0.4 -2,-0.2 0.917 111.5 50.0 -62.1 -43.1 2.0 25.8 25.9 9 9 A V H X S+ 0 0 18 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.926 111.3 48.2 -60.2 -49.6 5.4 26.9 24.6 10 10 A K H X S+ 0 0 149 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.934 112.4 50.2 -60.4 -42.5 4.6 25.8 21.1 11 11 A Y H X S+ 0 0 88 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.939 112.4 44.2 -58.4 -54.2 1.3 27.5 21.2 12 12 A R H X S+ 0 0 5 -4,-2.6 4,-2.6 46,-0.2 -1,-0.2 0.881 111.7 52.6 -66.0 -38.9 2.5 30.8 22.3 13 13 A Q H X S+ 0 0 92 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.888 112.0 47.2 -61.5 -38.7 5.5 30.9 20.0 14 14 A S H X S+ 0 0 64 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.912 111.9 49.7 -67.6 -43.9 3.1 30.2 17.1 15 15 A A H X S+ 0 0 7 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.912 112.7 46.9 -58.6 -45.9 0.7 32.9 18.3 16 16 A L H X S+ 0 0 54 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.878 109.0 55.4 -66.9 -35.8 3.5 35.4 18.6 17 17 A T H X S+ 0 0 97 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.923 110.1 46.1 -58.9 -46.6 4.8 34.4 15.1 18 18 A L H X S+ 0 0 89 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.923 111.9 51.0 -67.2 -43.8 1.4 35.1 13.6 19 19 A M H X S+ 0 0 17 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.918 107.5 53.4 -52.5 -45.2 1.2 38.4 15.4 20 20 A A H X S+ 0 0 64 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.890 110.6 47.3 -61.8 -39.7 4.5 39.5 14.2 21 21 A S H X S+ 0 0 55 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.913 113.2 46.8 -69.2 -44.0 3.5 38.8 10.6 22 22 A H H < S+ 0 0 31 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.835 120.5 39.5 -68.1 -29.3 0.2 40.6 10.9 23 23 A F H >< S+ 0 0 32 -4,-2.4 3,-1.8 -5,-0.2 4,-0.2 0.948 117.8 45.9 -78.5 -57.6 1.9 43.6 12.6 24 24 A G H >< S+ 0 0 30 -4,-2.9 3,-2.0 1,-0.3 -3,-0.2 0.784 98.3 69.1 -64.8 -29.5 5.1 43.7 10.5 25 25 A R T 3< S+ 0 0 129 -4,-2.1 -1,-0.3 1,-0.3 4,-0.3 0.659 95.5 59.1 -65.8 -12.0 3.4 43.3 7.1 26 26 A M T X> S+ 0 0 2 -3,-1.8 4,-2.7 1,-0.2 3,-0.6 0.560 77.1 93.1 -87.3 -9.5 2.0 46.8 7.6 27 27 A T H <> S+ 0 0 41 -3,-2.0 4,-2.2 1,-0.3 6,-0.2 0.904 85.3 48.7 -51.9 -49.0 5.4 48.4 7.9 28 28 A P H 34>S+ 0 0 47 0, 0.0 6,-1.7 0, 0.0 5,-1.7 0.833 111.6 51.7 -62.2 -30.2 5.6 49.3 4.2 29 29 A V H X45S+ 0 0 14 -3,-0.6 3,-1.2 -4,-0.3 -2,-0.2 0.941 110.1 45.9 -69.5 -48.0 2.1 50.8 4.4 30 30 A V H 3<5S+ 0 0 19 -4,-2.7 -1,-0.2 1,-0.3 -3,-0.2 0.893 114.2 50.6 -65.9 -30.3 2.8 53.0 7.4 31 31 A K T 3<5S- 0 0 137 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.541 112.9-119.9 -78.9 -9.9 6.1 54.1 5.7 32 32 A G T < 5S+ 0 0 61 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.491 84.4 116.4 84.4 2.4 4.2 54.9 2.4 33 33 A Q S - 0 0 87 -2,-0.7 4,-2.4 1,-0.2 5,-0.2 -0.967 17.5-154.6-111.0 111.4 -6.2 50.7 1.3 38 38 A A H > S+ 0 0 42 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.885 92.1 48.4 -60.0 -40.8 -8.3 51.5 4.3 39 39 A A H > S+ 0 0 70 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.903 110.1 51.4 -66.8 -42.3 -10.4 48.3 4.0 40 40 A Q H > S+ 0 0 121 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.927 114.4 43.9 -56.7 -49.3 -7.4 46.0 3.6 41 41 A I H X S+ 0 0 5 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.897 110.1 54.9 -69.8 -39.0 -5.8 47.5 6.7 42 42 A K H X S+ 0 0 90 -4,-2.5 4,-1.9 55,-0.3 -1,-0.2 0.936 111.4 45.2 -56.3 -50.0 -9.1 47.4 8.7 43 43 A A H X S+ 0 0 49 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.893 113.1 50.3 -61.0 -42.7 -9.4 43.7 8.0 44 44 A N H X S+ 0 0 17 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.912 109.3 49.8 -64.3 -40.9 -5.8 43.0 8.8 45 45 A V H X S+ 0 0 1 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.866 105.8 58.1 -69.8 -30.9 -5.9 44.9 12.2 46 46 A E H X S+ 0 0 97 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.916 108.5 45.9 -60.0 -45.2 -9.1 42.9 13.1 47 47 A V H X S+ 0 0 62 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.949 112.4 50.8 -60.9 -45.9 -7.0 39.7 12.6 48 48 A L H X S+ 0 0 2 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.886 106.9 55.1 -59.2 -39.4 -4.2 41.2 14.6 49 49 A K H X S+ 0 0 125 -4,-2.8 4,-0.6 2,-0.2 -1,-0.2 0.931 110.2 45.0 -60.6 -49.9 -6.6 42.1 17.4 50 50 A T H >< S+ 0 0 92 -4,-1.9 3,-1.2 1,-0.2 4,-0.3 0.953 116.3 45.7 -55.9 -51.1 -7.8 38.5 17.7 51 51 A L H >< S+ 0 0 19 -4,-2.7 3,-1.8 1,-0.3 -2,-0.2 0.870 104.0 62.7 -64.2 -36.4 -4.3 37.2 17.6 52 52 A S H 3< S+ 0 0 0 -4,-2.8 -1,-0.3 1,-0.3 4,-0.2 0.606 100.0 55.0 -70.6 -14.2 -2.9 39.7 20.1 53 53 A A T << S+ 0 0 50 -3,-1.2 4,-0.4 -4,-0.6 -1,-0.3 0.511 97.7 69.4 -86.2 -14.8 -5.3 38.3 22.8 54 54 A L S < S+ 0 0 62 -3,-1.8 3,-0.4 -4,-0.3 4,-0.3 0.812 80.0 61.9 -83.5 -36.0 -4.0 34.8 22.5 55 55 A P S > S+ 0 0 0 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 0.857 91.2 67.5 -64.0 -28.4 -0.5 34.4 23.7 56 56 A W G > S+ 0 0 38 1,-0.3 3,-1.9 -4,-0.2 -2,-0.1 0.850 92.3 57.1 -69.4 -36.4 -1.1 35.3 27.3 57 57 A A G 3 S+ 0 0 79 -3,-0.4 3,-0.4 -4,-0.4 -1,-0.3 0.592 99.4 64.1 -66.0 -12.5 -3.2 32.3 28.3 58 58 A A G < S+ 0 0 0 -3,-1.8 -1,-0.3 -4,-0.3 -46,-0.2 0.233 85.9 71.1-100.5 16.3 -0.3 30.1 27.2 59 59 A F S < S+ 0 0 26 -3,-1.9 -1,-0.2 -47,-0.1 3,-0.1 -0.243 71.8 154.2-113.3 41.2 2.0 31.4 29.9 60 60 A G > - 0 0 24 -3,-0.4 3,-1.9 1,-0.2 -2,-0.0 -0.084 58.8 -67.3 -63.7 161.3 0.0 29.6 32.7 61 61 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.2 0, 0.0 12,-0.0 -0.294 123.3 20.5 -57.9 141.4 1.9 28.8 35.8 62 62 A G T 3 S+ 0 0 50 -3,-0.1 -2,-0.1 1,-0.1 -3,-0.0 0.468 87.3 116.6 83.0 2.6 4.6 26.1 35.4 63 63 A T < + 0 0 17 -3,-1.9 5,-0.1 -4,-0.1 -3,-0.1 0.006 36.2 151.8 -96.3 30.6 4.9 26.7 31.6 64 64 A E + 0 0 96 -5,-0.1 2,-0.3 3,-0.0 -55,-0.1 -0.282 27.4 92.2 -49.7 144.8 8.5 27.9 31.9 65 65 A G > + 0 0 29 3,-0.4 3,-1.8 -57,-0.1 -2,-0.1 -0.854 51.4 47.8 147.4 178.3 10.3 27.1 28.7 66 66 A G T 3 S- 0 0 38 -2,-0.3 -56,-0.0 1,-0.2 -57,-0.0 -0.345 119.2 -37.6 60.5-138.6 11.2 28.5 25.3 67 67 A D T 3 S+ 0 0 72 -58,-0.1 58,-3.3 2,-0.1 2,-0.4 0.106 99.3 129.4-105.8 18.7 12.7 32.0 25.5 68 68 A A B < -A 124 0A 12 -3,-1.8 -3,-0.4 56,-0.2 56,-0.2 -0.603 57.0-130.9 -72.0 128.7 10.3 33.1 28.3 69 69 A R > - 0 0 76 54,-2.8 3,-1.8 -2,-0.4 4,-0.3 -0.551 15.2-123.3 -75.6 146.4 12.1 34.7 31.3 70 70 A P T >> S+ 0 0 72 0, 0.0 3,-1.9 0, 0.0 4,-1.2 0.799 103.8 78.8 -63.6 -20.1 11.1 33.4 34.7 71 71 A E H 3> S+ 0 0 71 1,-0.3 4,-1.4 2,-0.2 8,-0.2 0.756 76.3 75.1 -60.1 -22.8 10.2 36.9 35.8 72 72 A I H <4 S+ 0 0 7 -3,-1.8 -1,-0.3 1,-0.2 7,-0.3 0.916 107.6 32.3 -50.9 -40.2 6.9 36.4 33.9 73 73 A W H <4 S+ 0 0 49 -3,-1.9 3,-0.5 -4,-0.3 -2,-0.2 0.671 107.5 64.7 -95.9 -21.5 5.8 34.1 36.8 74 74 A S H < S+ 0 0 100 -4,-1.2 2,-0.3 1,-0.3 -2,-0.1 0.795 117.2 28.8 -74.5 -26.7 7.5 35.7 39.8 75 75 A D X + 0 0 68 -4,-1.4 4,-1.8 1,-0.1 -1,-0.3 -0.690 67.8 174.8-133.1 84.1 5.4 38.9 39.4 76 76 A A H > S+ 0 0 72 -3,-0.5 4,-2.2 -2,-0.3 5,-0.2 0.860 78.9 55.2 -54.6 -35.8 2.1 37.9 37.8 77 77 A A H > S+ 0 0 63 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.907 106.0 47.9 -73.4 -39.7 0.8 41.5 38.1 78 78 A S H > S+ 0 0 46 2,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.909 113.2 47.4 -67.5 -40.9 3.6 43.2 36.3 79 79 A F H X S+ 0 0 17 -4,-1.8 4,-2.4 -7,-0.3 5,-0.2 0.930 111.9 52.0 -64.7 -43.6 3.5 40.8 33.3 80 80 A K H X S+ 0 0 126 -4,-2.2 4,-2.5 -5,-0.3 5,-0.2 0.900 106.7 53.3 -59.8 -43.9 -0.3 41.2 33.2 81 81 A Q H X S+ 0 0 138 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.919 109.2 49.4 -53.5 -47.6 0.1 45.0 33.2 82 82 A K H X S+ 0 0 74 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.904 114.1 43.9 -62.9 -45.7 2.5 44.7 30.1 83 83 A Q H X S+ 0 0 28 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.881 115.8 47.7 -67.4 -37.3 0.1 42.4 28.1 84 84 A Q H X S+ 0 0 85 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.902 112.6 48.6 -70.3 -38.9 -2.9 44.5 29.0 85 85 A A H X S+ 0 0 44 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.913 111.1 51.5 -61.1 -47.2 -1.2 47.7 28.1 86 86 A F H X S+ 0 0 14 -4,-2.2 4,-2.1 2,-0.2 3,-0.2 0.938 109.1 50.3 -54.7 -48.1 -0.0 46.1 24.8 87 87 A Q H X S+ 0 0 47 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.866 108.1 53.0 -64.5 -32.2 -3.6 45.0 24.1 88 88 A D H X S+ 0 0 106 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.850 105.3 53.5 -68.0 -32.2 -4.8 48.6 24.7 89 89 A N H X S+ 0 0 42 -4,-1.9 4,-1.9 -3,-0.2 -2,-0.2 0.886 107.0 53.1 -66.3 -40.0 -2.2 49.9 22.2 90 90 A I H X S+ 0 0 4 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.895 103.7 57.1 -61.2 -36.3 -3.8 47.4 19.8 91 91 A V H X S+ 0 0 79 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.903 105.5 49.5 -60.5 -40.3 -7.1 49.0 20.6 92 92 A K H X S+ 0 0 100 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.900 111.2 49.7 -64.4 -41.0 -5.7 52.4 19.5 93 93 A L H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.929 110.5 50.2 -64.7 -43.7 -4.5 50.8 16.2 94 94 A S H X S+ 0 0 13 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.884 109.7 50.7 -56.8 -45.2 -7.9 49.2 15.7 95 95 A A H X S+ 0 0 60 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.922 112.1 46.9 -61.3 -44.9 -9.6 52.6 16.2 96 96 A A H X>S+ 0 0 2 -4,-2.4 5,-2.1 2,-0.2 4,-0.8 0.922 114.9 46.2 -60.5 -47.1 -7.2 54.2 13.7 97 97 A A H ><5S+ 0 0 1 -4,-2.8 3,-0.8 1,-0.2 -55,-0.3 0.913 111.7 50.7 -65.4 -43.5 -7.8 51.4 11.2 98 98 A D H 3<5S+ 0 0 88 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.806 111.2 49.5 -62.0 -35.2 -11.5 51.5 11.6 99 99 A A H 3<5S- 0 0 73 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.599 106.5-128.0 -77.6 -13.2 -11.5 55.3 11.1 100 100 A G T <<5 + 0 0 32 -3,-0.8 2,-0.8 -4,-0.8 -3,-0.2 0.807 57.3 150.9 64.4 32.9 -9.4 54.9 7.9 101 101 A D >< - 0 0 44 -5,-2.1 4,-2.2 1,-0.2 -1,-0.2 -0.829 30.4-172.1-107.3 105.7 -7.1 57.5 9.4 102 102 A L H > S+ 0 0 63 -2,-0.8 4,-2.6 1,-0.2 -1,-0.2 0.820 84.4 53.0 -68.3 -37.3 -3.5 56.9 8.2 103 103 A D H > S+ 0 0 112 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.933 112.4 44.7 -65.1 -44.9 -1.9 59.5 10.5 104 104 A K H > S+ 0 0 126 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.863 112.0 54.8 -64.1 -35.4 -3.5 57.9 13.5 105 105 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 -9,-0.2 -2,-0.2 0.945 107.8 48.1 -61.4 -49.2 -2.5 54.5 12.1 106 106 A R H X S+ 0 0 146 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.927 114.5 46.2 -56.0 -48.0 1.2 55.5 11.8 107 107 A A H X S+ 0 0 55 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.929 114.8 46.2 -63.6 -47.6 1.2 56.9 15.4 108 108 A A H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 -15,-0.2 0.882 108.4 56.8 -63.2 -38.1 -0.6 53.9 16.8 109 109 A F H X S+ 0 0 23 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.917 107.0 49.0 -60.1 -45.7 1.7 51.5 14.9 110 110 A G H X S+ 0 0 43 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.901 111.1 49.5 -58.2 -45.1 4.8 53.1 16.5 111 111 A D H X S+ 0 0 67 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.906 110.4 51.0 -65.7 -39.7 3.3 52.8 20.0 112 112 A V H X S+ 0 0 1 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.949 109.5 50.1 -59.9 -49.1 2.4 49.2 19.4 113 113 A G H X S+ 0 0 25 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.877 108.4 52.2 -58.8 -41.4 5.9 48.4 18.3 114 114 A A H X S+ 0 0 61 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.867 108.1 53.4 -60.1 -39.3 7.3 50.1 21.4 115 115 A S H X S+ 0 0 18 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.868 106.0 51.8 -65.5 -40.1 5.0 48.0 23.5 116 116 A C H X S+ 0 0 37 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.960 113.3 45.2 -56.2 -51.1 6.3 44.8 21.9 117 117 A K H X S+ 0 0 123 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.878 107.8 56.7 -63.7 -40.3 9.9 45.8 22.6 118 118 A A H X S+ 0 0 44 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.883 110.2 46.1 -60.7 -39.1 9.1 46.9 26.3 119 119 A C H >X S+ 0 0 23 -4,-1.8 4,-2.8 2,-0.2 3,-0.5 0.947 112.1 49.5 -68.5 -47.9 7.8 43.5 27.0 120 120 A H H 3X S+ 0 0 65 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.900 106.2 57.7 -55.7 -41.4 10.8 41.7 25.3 121 121 A D H 3< S+ 0 0 98 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.847 119.4 29.7 -60.1 -33.9 13.2 43.9 27.2 122 122 A A H << S+ 0 0 30 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.774 134.7 21.4 -91.2 -32.1 11.7 42.7 30.5 123 123 A Y H < S+ 0 0 24 -4,-2.8 -54,-2.8 -5,-0.1 2,-0.4 0.414 98.0 81.3-132.2 -0.5 10.5 39.2 29.8 124 124 A R B < S-A 68 0A 103 -4,-2.1 -56,-0.2 -5,-0.3 3,-0.1 -0.946 70.1-126.7-117.3 131.1 12.1 37.5 26.8 125 125 A K - 0 0 102 -58,-3.3 2,-0.1 -2,-0.4 -2,-0.1 -0.381 37.0 -93.4 -68.9 152.2 15.5 35.8 26.9 126 126 A K 0 0 205 1,-0.2 -1,-0.1 -2,-0.1 -6,-0.0 -0.407 360.0 360.0 -66.3 141.0 18.2 36.9 24.5 127 127 A K 0 0 199 -3,-0.1 -1,-0.2 -2,-0.1 -60,-0.0 -0.034 360.0 360.0 -45.3 360.0 18.2 34.6 21.4