==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-FEB-2016 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/METAL TRANSPORT 22-MAY-05 1ZRT . COMPND 2 MOLECULE: CYTOCHROME B; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER CAPSULATUS; . AUTHOR E.A.BERRY,L.S.HUANG,L.K.SAECHAO,N.G.PON,M.VALKOVA-VALCHANOV, . 1720 6 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 79747.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1080 62.8 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 . 66 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 114 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 169 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 651 37.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 1.3 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 4 0 0 7 3 4 2 0 2 0 2 2 2 0 0 4 2 2 2 0 0 2 0 2 1 3 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 . 6 6 6 0 2 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 . 2 4 2 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 2 C S 0 0 72 0, 0.0 231,-0.1 0, 0.0 230,-0.1 0.000 360.0 360.0 360.0-172.8 33.3 14.5 28.8 2 3 C G + 0 0 59 1,-0.1 232,-0.0 228,-0.1 230,-0.0 0.915 360.0 167.2 76.4 45.2 35.4 16.1 31.6 3 4 C I - 0 0 46 1,-0.1 31,-0.1 32,-0.0 232,-0.1 -0.088 58.7 -79.8 -83.4-176.8 32.3 18.0 32.9 4 5 C P - 0 0 85 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 0.626 54.7-145.6 -60.1 -10.3 31.7 19.9 36.1 5 6 C H + 0 0 81 2,-0.1 3,-0.3 24,-0.0 24,-0.1 0.558 40.7 161.5 53.9 10.0 31.1 16.4 37.4 6 7 C D + 0 0 48 1,-0.2 2,-3.2 27,-0.1 19,-0.0 0.764 28.2 129.1 -21.6-112.4 28.5 18.1 39.6 7 8 C H + 0 0 43 18,-0.2 2,-0.5 17,-0.1 -1,-0.2 -0.223 49.1 179.3 73.4 -49.0 25.9 15.7 41.1 8 9 C Y - 0 0 75 -2,-3.2 17,-0.0 -3,-0.3 -1,-0.0 -0.467 32.2-149.6 64.9-109.3 27.0 17.6 44.3 9 10 C E S S+ 0 0 61 -2,-0.5 3,-0.2 16,-0.0 -1,-0.2 0.194 71.0 105.6 116.7 -0.4 25.1 16.4 47.4 10 11 C P + 0 0 82 0, 0.0 6,-0.2 0, 0.0 5,-0.1 0.999 43.4 87.8 -66.1 -78.2 25.5 20.0 48.8 11 12 C K S S- 0 0 91 4,-0.1 2,-0.3 3,-0.1 3,-0.1 0.337 101.6 -81.1 10.5 -67.6 22.0 21.5 48.4 12 13 C T > - 0 0 67 -3,-0.2 4,-2.1 1,-0.1 5,-0.0 -0.969 56.1 -52.2 176.1-162.2 21.0 20.2 51.8 13 14 C G H > S+ 0 0 53 -2,-0.3 4,-3.2 2,-0.2 6,-0.3 0.898 132.1 54.7 -67.1 -40.4 19.7 17.3 53.8 14 15 C I H > S+ 0 0 68 1,-0.3 4,-2.2 2,-0.3 5,-0.4 0.978 108.5 47.7 -54.0 -56.6 16.9 16.9 51.3 15 16 C E H 4 S+ 0 0 17 1,-0.2 6,-0.3 2,-0.2 -1,-0.3 0.887 110.4 54.5 -51.0 -40.8 19.5 16.7 48.6 16 17 C K H >< S+ 0 0 52 -4,-2.1 3,-0.5 -6,-0.2 4,-0.3 0.956 112.8 41.4 -58.5 -51.2 21.2 14.2 51.0 17 18 C W H >< S+ 0 0 116 -4,-3.2 3,-6.2 1,-0.3 -2,-0.2 0.998 120.2 39.5 -58.0 -74.6 18.0 12.1 51.1 18 19 C L T 3< S+ 0 0 46 -4,-2.2 7,-0.5 1,-0.3 6,-0.3 0.527 112.7 61.4 -58.3 5.1 17.0 12.3 47.4 19 20 C H T < S+ 0 0 45 -3,-0.5 -1,-0.3 -5,-0.4 -2,-0.3 0.477 88.4 62.4-101.1 -15.9 20.9 11.9 47.1 20 21 C D S < S+ 0 0 44 -3,-6.2 2,-0.4 -4,-0.3 -2,-0.2 0.220 110.3 76.5 -82.1 3.6 20.3 8.6 48.8 21 22 C R S > S- 0 0 18 -6,-0.3 4,-1.9 -5,-0.2 3,-0.1 -0.902 71.9-155.5-136.6 124.8 18.5 8.9 45.4 22 23 C L T >4 S+ 0 0 12 -2,-0.4 3,-4.6 2,-0.2 -1,-0.2 0.829 80.9 71.8 -40.1-101.9 19.5 8.8 41.8 23 24 C P T 3> S+ 0 0 58 0, 0.0 4,-3.5 0, 0.0 5,-0.3 0.220 103.3 43.9 17.7 -86.9 16.9 10.8 39.8 24 25 C I H 3> S+ 0 0 62 -6,-0.3 4,-2.7 1,-0.2 5,-0.3 0.945 117.7 52.3 -38.7 -55.7 18.1 14.2 41.1 25 26 C V H S+ 0 0 25 2,-0.2 5,-2.4 1,-0.2 6,-0.3 0.886 116.9 57.3 -49.4 -47.6 20.8 11.5 36.7 27 28 C L H X5S+ 0 0 59 -4,-3.5 4,-1.2 3,-0.2 5,-0.6 0.974 112.7 37.3 -49.3 -73.6 18.6 14.5 36.0 28 29 C V H X>S+ 0 0 36 -4,-2.7 4,-2.3 -5,-0.3 5,-1.0 0.927 127.9 35.8 -44.5 -70.2 21.2 17.1 37.0 29 30 C Y H ><5S+ 0 0 52 -4,-2.4 3,-1.4 -5,-0.3 4,-0.2 0.909 131.4 19.4 -48.1 -93.7 24.1 15.2 35.5 30 31 C D H 345S+ 0 0 77 1,-0.3 -3,-0.2 2,-0.1 -1,-0.2 0.832 129.2 50.9 -51.1 -35.8 23.1 13.3 32.3 31 32 C T H 3< - 0 0 9 0, 0.0 3,-1.7 0, 0.0 202,-0.0 -0.187 26.3-141.0 -44.7 111.8 29.5 22.4 21.2 38 39 C K T 3 S+ 0 0 44 1,-0.3 386,-0.1 184,-0.1 637,-0.0 0.888 98.1 61.8 -42.2 -51.8 28.8 26.1 21.2 39 40 C N T 3 S+ 0 0 50 2,-0.0 -1,-0.3 1,-0.0 183,-0.1 0.775 71.2 149.1 -47.5 -36.0 28.9 26.2 17.4 40 41 C L < - 0 0 4 -3,-1.7 182,-0.1 181,-0.1 4,-0.1 0.390 45.8-129.5 -10.6 98.0 25.9 23.8 17.1 41 42 C N > - 0 0 70 1,-0.1 3,-2.4 2,-0.1 -1,-0.1 0.023 22.7-105.2 -52.6 162.3 24.2 24.7 13.9 42 43 C W G > S+ 0 0 130 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.931 122.0 72.1 -55.5 -42.5 20.4 25.4 13.9 43 44 C W G > S+ 0 0 126 1,-0.3 3,-0.6 2,-0.1 -1,-0.3 0.609 79.3 82.2 -48.1 -11.5 20.3 22.0 12.2 44 45 C W G < + 0 0 10 -3,-2.4 -1,-0.3 1,-0.3 4,-0.2 0.269 67.6 83.3 -82.7 10.4 21.2 20.7 15.7 45 46 C I G <> + 0 0 11 -3,-1.8 4,-2.6 1,-0.1 5,-0.3 0.223 63.9 111.8 -88.6 25.7 17.7 20.9 16.9 46 47 C W H <> + 0 0 33 -3,-0.6 4,-3.0 1,-0.2 -1,-0.1 0.949 68.2 33.1 -93.1 -42.7 16.7 17.7 15.6 47 48 C G H > S+ 0 0 25 1,-0.2 4,-3.4 2,-0.2 5,-0.4 0.899 115.6 65.6 -56.6 -33.4 15.9 14.8 17.7 48 49 C I H > S+ 0 0 62 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.980 102.7 42.7 -55.7 -56.0 14.5 17.4 20.1 49 50 C V H X S+ 0 0 2 -4,-2.6 4,-3.2 1,-0.2 -1,-0.2 0.973 117.9 51.5 -54.4 -42.7 11.9 18.5 17.7 50 51 C L H X S+ 0 0 16 -4,-3.0 4,-3.1 -5,-0.3 -2,-0.2 0.955 106.0 48.2 -52.1 -66.8 11.4 14.7 17.1 51 52 C A H X S+ 0 0 47 -4,-3.4 4,-3.3 1,-0.3 5,-0.3 0.902 112.9 53.5 -43.4 -44.0 11.0 13.5 20.7 52 53 C F H X S+ 0 0 65 -4,-2.9 4,-3.2 -5,-0.4 -1,-0.3 0.989 109.7 44.4 -57.8 -57.5 8.6 16.3 21.1 53 54 C T H X S+ 0 0 1 -4,-3.2 4,-3.2 -5,-0.3 -2,-0.2 0.951 112.7 54.8 -44.9 -57.6 6.5 15.2 18.1 54 55 C L H X S+ 0 0 21 -4,-3.1 4,-3.3 1,-0.3 -1,-0.2 0.910 109.6 44.3 -42.8 -59.6 6.7 11.7 19.4 55 56 C V H X S+ 0 0 83 -4,-3.3 4,-3.0 2,-0.2 -1,-0.3 0.939 112.3 54.0 -55.2 -43.5 5.4 12.4 22.8 56 57 C L H X S+ 0 0 28 -4,-3.2 4,-2.7 -5,-0.3 5,-0.4 0.979 109.9 48.1 -46.7 -65.0 2.7 14.6 21.2 57 58 C Q H X S+ 0 0 23 -4,-3.2 4,-3.3 1,-0.2 5,-0.2 0.896 109.4 52.0 -41.0 -59.6 1.8 11.6 19.1 58 59 C I H X S+ 0 0 42 -4,-3.3 4,-3.1 -5,-0.2 5,-0.3 0.961 116.6 39.6 -45.7 -62.5 1.7 9.3 22.0 59 60 C V H X S+ 0 0 48 -4,-3.0 4,-3.3 2,-0.2 5,-0.4 0.955 117.7 44.4 -52.9 -65.5 -0.6 11.6 23.9 60 61 C T H X S+ 0 0 7 -4,-2.7 4,-3.4 -5,-0.2 5,-0.3 0.941 115.6 56.5 -41.7 -52.7 -2.9 12.7 21.1 61 62 C G H X S+ 0 0 9 -4,-3.3 4,-3.6 -5,-0.4 5,-0.2 0.922 109.9 37.0 -45.2 -68.2 -2.9 9.0 20.2 62 63 C I H X S+ 0 0 34 -4,-3.1 4,-1.0 -5,-0.2 -1,-0.2 0.923 118.9 52.4 -57.9 -38.3 -4.1 7.4 23.4 63 64 C V H < S+ 0 0 8 -4,-3.3 3,-0.3 -5,-0.3 -1,-0.2 0.910 114.6 40.8 -61.0 -43.5 -6.5 10.3 23.9 64 65 C L H >X S+ 0 0 26 -4,-3.4 3,-1.3 -5,-0.4 4,-1.1 0.941 114.6 52.5 -66.8 -51.5 -7.9 10.0 20.4 65 66 C A H 3< S+ 0 0 15 -4,-3.6 -1,-0.2 -5,-0.3 -2,-0.2 0.568 88.8 80.4 -63.8 -12.1 -7.9 6.2 20.7 66 67 C M T 3< S+ 0 0 6 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.1 0.368 107.4 29.1 -77.3 7.6 -9.8 6.4 24.0 67 68 C H T <4 S+ 0 0 20 -3,-1.3 -2,-0.2 987,-0.1 -1,-0.2 0.464 103.5 99.5-133.4 -28.2 -13.0 6.9 21.9 68 69 C Y < - 0 0 8 -4,-1.1 7,-0.1 986,-0.1 8,-0.1 0.138 58.4-147.1 -56.7 176.1 -12.0 4.9 18.8 69 70 C T - 0 0 4 6,-0.1 2,-0.5 79,-0.1 10,-0.2 -0.884 4.7-147.4-154.3 116.0 -13.0 1.4 18.0 70 71 C P + 0 0 1 0, 0.0 2,-0.1 0, 0.0 78,-0.1 -0.759 59.1 99.8 -84.9 129.2 -10.9 -1.1 16.1 71 72 C H S >> S- 0 0 25 -2,-0.5 4,-3.2 77,-0.3 3,-2.3 -0.141 74.1-119.4 148.6 116.4 -13.3 -3.3 14.2 72 73 C V T 34 S+ 0 0 31 1,-0.3 4,-0.1 2,-0.2 210,-0.1 0.511 108.6 53.3 -51.1 -11.6 -14.3 -3.2 10.5 73 74 C D T 34 S+ 0 0 138 2,-0.1 -1,-0.3 3,-0.0 4,-0.1 0.692 124.5 20.9-100.2 -14.7 -18.0 -2.5 11.2 74 75 C L T <> S+ 0 0 50 -3,-2.3 4,-3.6 -5,-0.1 5,-0.2 0.632 93.3 102.0-120.0 -25.8 -17.6 0.5 13.4 75 76 C A H X S+ 0 0 2 -4,-3.2 4,-2.8 1,-0.2 3,-0.2 0.780 85.8 36.9 -22.8 -89.4 -14.2 1.9 12.6 76 77 C F H > S+ 0 0 12 73,-0.5 4,-2.9 1,-0.3 -1,-0.2 0.869 120.4 46.9 -37.6 -59.9 -14.9 4.9 10.3 77 78 C A H > S+ 0 0 41 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.936 109.1 55.8 -51.9 -47.9 -18.0 5.9 12.2 78 79 C S H X S+ 0 0 15 -4,-3.6 4,-3.5 -3,-0.2 -2,-0.2 0.973 110.2 47.4 -45.9 -59.1 -16.0 5.5 15.4 79 80 C V H X S+ 0 0 7 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.932 112.5 46.4 -45.0 -67.2 -13.6 8.0 13.8 80 81 C E H < S+ 0 0 2 -4,-2.9 5,-0.3 1,-0.3 -2,-0.2 0.930 112.7 50.3 -38.9 -68.6 -16.3 10.4 12.7 81 82 C H H >X>S+ 0 0 59 -4,-3.0 4,-1.5 1,-0.2 3,-1.4 0.883 112.3 48.1 -36.0 -56.1 -17.9 10.3 16.1 82 83 C I H >X5S+ 0 0 3 -4,-3.5 4,-1.7 -5,-0.3 2,-1.4 0.976 120.1 38.3 -46.7 -65.1 -14.5 10.9 17.5 83 84 C M H 3<5S+ 0 0 9 -4,-3.0 -1,-0.3 6,-0.3 -2,-0.2 -0.354 127.6 33.8 -85.8 52.3 -14.0 13.8 15.1 84 85 C R H <45S+ 0 0 11 -2,-1.4 -1,-0.2 -3,-1.4 -2,-0.2 0.274 127.5 26.9 178.1 1.9 -17.6 15.1 15.2 85 86 C D H <<5S+ 0 0 11 -4,-1.5 628,-3.2 -3,-1.1 2,-0.6 0.366 95.4 85.7-155.2 -5.0 -18.8 14.5 18.8 86 87 C V S >< S+ 0 0 9 -2,-2.7 4,-1.5 -6,-0.2 3,-0.4 -0.053 84.1 130.5 164.1 -26.5 -11.5 17.6 20.7 89 90 C G H <> S+ 0 0 1 -3,-4.3 4,-1.6 -7,-0.4 5,-0.3 0.624 77.6 21.7 -8.2-115.9 -12.6 15.8 17.6 90 91 C W H > S+ 0 0 36 3,-0.2 4,-2.2 2,-0.2 5,-0.5 0.817 126.9 60.5 -31.7 -41.6 -11.1 17.3 14.5 91 92 C A H > S+ 0 0 13 -3,-0.4 4,-3.8 3,-0.2 -2,-0.2 0.939 112.6 29.7 -51.7 -90.6 -8.5 18.7 16.9 92 93 C M H X S+ 0 0 12 -4,-1.5 4,-3.2 1,-0.2 5,-0.3 0.880 124.0 48.3 -33.2 -74.0 -7.1 15.4 18.3 93 94 C R H X S+ 0 0 48 -4,-1.6 4,-3.1 1,-0.2 5,-0.3 0.880 118.3 39.7 -35.7 -68.2 -7.7 13.5 15.1 94 95 C Y H X S+ 0 0 2 -4,-2.2 4,-3.2 -5,-0.3 5,-0.4 0.904 115.9 52.0 -48.9 -50.3 -6.2 16.1 12.8 95 96 C I H X S+ 0 0 33 -4,-3.8 4,-4.1 -5,-0.5 5,-0.2 0.974 110.9 48.0 -52.2 -61.9 -3.4 16.8 15.3 96 97 C H H X S+ 0 0 34 -4,-3.2 4,-3.4 1,-0.2 -2,-0.2 0.920 115.2 44.0 -47.1 -57.2 -2.5 13.1 15.5 97 98 C A H X S+ 0 0 47 -4,-3.1 4,-2.7 -5,-0.3 -1,-0.2 0.968 119.5 40.3 -55.8 -55.2 -2.5 12.6 11.7 98 99 C N H X S+ 0 0 9 -4,-3.2 4,-3.5 -5,-0.3 5,-0.3 0.964 110.8 58.9 -59.1 -46.5 -0.6 15.7 10.9 99 100 C G H X S+ 0 0 0 -4,-4.1 4,-3.3 -5,-0.4 5,-0.4 0.950 104.5 53.9 -42.4 -58.8 1.6 15.1 14.0 100 101 C A H X S+ 0 0 16 -4,-3.4 4,-3.3 1,-0.3 -1,-0.2 0.928 111.2 42.5 -41.0 -66.0 2.4 11.8 12.3 101 102 C S H X S+ 0 0 8 -4,-2.7 4,-3.1 1,-0.2 -1,-0.3 0.876 116.4 47.8 -53.7 -39.9 3.4 13.6 9.1 102 103 C L H X S+ 0 0 28 -4,-3.5 4,-3.4 2,-0.2 5,-0.2 0.977 111.2 50.4 -60.4 -57.9 5.4 16.3 10.9 103 104 C F H X S+ 0 0 17 -4,-3.3 4,-3.3 -5,-0.3 -2,-0.2 0.946 111.6 50.2 -44.3 -55.9 7.2 13.9 13.1 104 105 C F H X S+ 0 0 4 -4,-3.3 4,-3.3 -5,-0.4 -1,-0.3 0.945 110.2 48.1 -52.4 -52.2 8.1 12.0 10.0 105 106 C L H X S+ 0 0 89 -4,-3.1 4,-3.2 -5,-0.2 -2,-0.2 0.957 112.0 50.4 -50.3 -55.0 9.4 15.1 8.2 106 107 C A H X S+ 0 0 2 -4,-3.4 4,-3.0 2,-0.2 5,-0.3 0.963 110.5 49.3 -46.1 -62.5 11.4 16.1 11.2 107 108 C V H X S+ 0 0 6 -4,-3.3 4,-3.4 1,-0.2 -2,-0.2 0.943 108.7 52.8 -43.0 -65.0 12.9 12.6 11.4 108 109 C Y H X S+ 0 0 18 -4,-3.3 4,-3.2 1,-0.2 -1,-0.2 0.885 112.8 44.2 -38.4 -53.7 13.7 12.7 7.7 109 110 C I H X S+ 0 0 48 -4,-3.2 4,-3.3 2,-0.2 5,-0.3 0.990 111.6 51.9 -55.4 -62.6 15.6 16.0 8.1 110 111 C H H X S+ 0 0 32 -4,-3.0 4,-3.3 1,-0.3 5,-0.4 0.902 110.7 52.0 -33.5 -57.8 17.3 14.8 11.3 111 112 C I H X S+ 0 0 30 -4,-3.4 4,-2.8 -5,-0.3 -1,-0.3 0.940 111.9 43.3 -46.2 -63.1 18.3 11.8 9.2 112 113 C F H X S+ 0 0 29 -4,-3.2 4,-2.6 2,-0.2 -1,-0.2 0.869 112.2 53.1 -56.3 -39.0 19.7 13.9 6.4 113 114 C R H >X S+ 0 0 24 -4,-3.3 4,-3.0 2,-0.2 3,-0.6 0.989 111.9 45.2 -56.5 -59.4 21.5 16.3 8.7 114 115 C G H 3< S+ 0 0 2 -4,-3.3 6,-1.0 1,-0.3 5,-0.3 0.873 109.9 57.3 -50.4 -39.1 23.2 13.4 10.4 115 116 C L H 3< S+ 0 0 8 -4,-2.8 3,-0.5 -5,-0.4 -1,-0.3 0.911 113.9 38.5 -59.2 -43.4 23.9 12.1 6.9 116 117 C Y H << S+ 0 0 31 -4,-2.6 240,-1.3 -3,-0.6 2,-1.0 0.931 110.9 53.4 -76.6 -49.3 25.7 15.4 6.1 117 118 C Y S < S- 0 0 23 -4,-3.0 238,-0.3 238,-0.2 -1,-0.2 -0.192 107.4-111.1 -86.0 48.2 27.6 16.2 9.3 118 119 C G S S+ 0 0 3 -2,-1.0 3,-0.4 -3,-0.5 -1,-0.1 0.464 75.5 139.1 43.3 -0.1 29.4 12.9 9.7 119 120 C S S S+ 0 0 15 -5,-0.3 -1,-0.2 -6,-0.3 9,-0.2 0.753 72.2 50.8 -42.5 -26.6 27.1 12.4 12.7 120 121 C Y S S+ 0 0 3 -6,-1.0 4,-0.3 -5,-0.1 -1,-0.3 0.944 93.0 88.9 -78.9 -49.5 26.9 8.8 11.5 121 122 C K S > S- 0 0 15 -3,-0.4 3,-1.6 -6,-0.1 7,-0.1 0.208 85.2 -15.2 -42.7 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