==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 08-FEB-12 4DMM . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCOCCUS ELONGATUS; . AUTHOR C.CHEN,N.N.ZHUANG,K.H.LEE . 963 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32981.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 737 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 135 14.0 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 . 1 0.1 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 . 62 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 373 38.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 31 3.2 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 3 1 0 1 0 0 0 4 4 8 0 4 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 4 12 7 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 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 4 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 4 A L > 0 0 147 0, 0.0 3,-2.0 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 119.6 -4.2 24.5 27.5 2 5 A P T 3 + 0 0 72 0, 0.0 27,-0.2 0, 0.0 26,-0.1 0.657 360.0 41.4 -64.4 -21.7 -2.4 27.9 27.0 3 6 A L T > S+ 0 0 6 25,-2.7 3,-2.9 22,-0.1 28,-0.3 0.286 76.0 137.8-106.7 11.9 -1.8 27.7 23.2 4 7 A T T < S+ 0 0 73 -3,-2.0 26,-0.2 24,-0.4 3,-0.1 -0.367 81.2 13.2 -52.7 128.6 -5.2 26.2 22.2 5 8 A D T 3 S+ 0 0 124 24,-0.6 2,-0.3 1,-0.3 -1,-0.3 0.560 106.5 118.6 73.2 12.4 -6.3 28.0 19.0 6 9 A R < - 0 0 108 -3,-2.9 25,-2.7 23,-0.3 2,-0.5 -0.770 56.4-137.8-105.4 154.9 -2.8 29.5 18.6 7 10 A I E -a 31 0A 2 -2,-0.3 79,-2.5 23,-0.2 78,-1.8 -0.934 16.5-171.4-114.0 129.9 -0.4 29.1 15.7 8 11 A A E -ab 32 86A 0 23,-2.7 25,-3.0 -2,-0.5 2,-0.5 -0.930 7.0-163.4-116.9 140.7 3.4 28.6 16.2 9 12 A L E -ab 33 87A 0 77,-2.8 79,-2.3 -2,-0.4 2,-0.5 -0.996 8.0-170.0-119.5 123.8 6.0 28.6 13.4 10 13 A V E > -ab 34 88A 0 23,-2.5 25,-2.1 -2,-0.5 3,-0.6 -0.976 12.7-144.4-114.5 121.8 9.3 27.1 14.4 11 14 A T T 3 S+ 0 0 2 77,-2.6 79,-0.2 -2,-0.5 25,-0.1 -0.531 81.8 11.8 -83.8 149.2 12.2 27.5 11.9 12 15 A G T 3 S+ 0 0 23 78,-0.2 3,-0.4 -2,-0.2 6,-0.3 0.904 82.2 151.0 49.8 51.5 14.8 24.7 11.5 13 16 A A < + 0 0 0 22,-2.5 23,-0.1 -3,-0.6 -1,-0.1 0.177 32.4 99.9 -98.1 18.1 12.5 22.3 13.4 14 17 A S S S- 0 0 13 21,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.842 93.0 -4.6 -74.0 -28.2 13.4 18.9 11.9 15 18 A R S >> S+ 0 0 164 -3,-0.4 4,-1.6 31,-0.0 3,-0.8 -0.890 103.8 12.9-153.4 176.3 15.7 17.9 14.7 16 19 A G H 3> S- 0 0 16 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 -0.109 120.4 -6.4 53.5-136.8 17.5 18.8 18.0 17 20 A I H 3> S+ 0 0 6 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.887 137.3 53.4 -55.5 -44.3 16.3 21.9 19.9 18 21 A G H <> S+ 0 0 0 -3,-0.8 4,-2.4 -6,-0.3 -2,-0.2 0.934 110.3 46.4 -62.7 -46.0 14.0 22.9 17.0 19 22 A R H X S+ 0 0 80 -4,-1.6 4,-2.2 -7,-0.2 -1,-0.2 0.936 111.9 51.7 -57.3 -45.2 12.2 19.5 17.0 20 23 A A H X S+ 0 0 15 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.920 110.0 49.7 -62.9 -40.1 12.0 19.6 20.8 21 24 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.918 107.8 52.7 -63.4 -44.6 10.4 23.1 20.6 22 25 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.931 111.9 46.8 -53.7 -49.9 7.8 22.1 18.0 23 26 A L H X S+ 0 0 52 -4,-2.2 4,-3.3 2,-0.2 -2,-0.2 0.907 112.8 48.2 -58.8 -47.9 6.7 19.1 20.2 24 27 A E H X S+ 0 0 57 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.880 111.5 49.0 -68.4 -38.2 6.5 21.3 23.4 25 28 A L H <>S+ 0 0 0 -4,-2.7 5,-2.2 2,-0.2 -1,-0.2 0.925 114.6 46.4 -65.1 -40.8 4.5 24.0 21.7 26 29 A A H ><5S+ 0 0 13 -4,-2.3 3,-2.9 -5,-0.2 -2,-0.2 0.957 108.8 55.7 -62.9 -45.6 2.1 21.3 20.3 27 30 A A H 3<5S+ 0 0 64 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.817 105.5 52.9 -55.2 -31.6 2.0 19.7 23.7 28 31 A A T 3<5S- 0 0 7 -4,-1.3 -25,-2.7 -5,-0.2 -24,-0.4 0.315 130.9 -93.9 -91.6 5.5 0.8 23.0 25.0 29 32 A G T < 5S+ 0 0 24 -3,-2.9 -24,-0.6 1,-0.3 -23,-0.3 0.331 78.0 133.6 108.5 -3.8 -2.0 23.2 22.4 30 33 A A < - 0 0 3 -5,-2.2 2,-0.6 -26,-0.2 26,-0.5 -0.390 57.5-123.9 -75.7 150.4 -0.6 25.1 19.4 31 34 A K E -a 7 0A 53 -25,-2.7 -23,-2.7 -28,-0.3 2,-0.4 -0.878 39.1-151.0 -84.8 130.8 -0.9 24.2 15.8 32 35 A V E -ac 8 57A 0 24,-1.7 26,-1.5 -2,-0.6 2,-0.6 -0.861 17.4-151.8-115.6 128.1 2.8 24.1 14.7 33 36 A A E -ac 9 58A 0 -25,-3.0 -23,-2.5 -2,-0.4 2,-0.9 -0.901 19.6-153.1 -92.5 123.8 4.3 24.8 11.3 34 37 A V E -ac 10 59A 0 24,-3.0 26,-1.8 -2,-0.6 2,-0.2 -0.863 11.4-159.9-107.2 99.9 7.5 22.7 11.2 35 38 A N E + c 0 60A 2 -25,-2.1 -22,-2.5 -2,-0.9 -21,-0.3 -0.563 16.4 166.6 -81.6 141.0 9.9 24.4 8.9 36 39 A Y E - c 0 61A 42 24,-1.7 26,-2.3 -2,-0.2 4,-0.0 -0.928 27.4-161.5-143.6 165.5 12.9 22.5 7.3 37 40 A A S S- 0 0 51 -2,-0.3 -1,-0.1 24,-0.2 26,-0.1 0.649 89.3 -13.0-114.9 -52.2 15.4 23.2 4.5 38 41 A S S S+ 0 0 105 1,-0.1 2,-2.3 24,-0.1 3,-0.3 0.706 110.6 86.7-124.2 -26.0 16.8 19.7 3.7 39 42 A S > + 0 0 22 1,-0.2 4,-2.8 2,-0.1 5,-0.1 -0.339 45.7 150.8 -75.7 68.5 15.8 17.2 6.5 40 43 A A H > + 0 0 47 -2,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.927 69.2 49.7 -72.7 -44.7 12.4 16.3 5.0 41 44 A G H > S+ 0 0 51 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.946 114.8 45.4 -56.5 -49.9 12.2 12.7 6.5 42 45 A A H > S+ 0 0 21 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.930 111.2 53.8 -62.7 -40.8 13.1 14.0 9.9 43 46 A A H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 3,-0.2 0.912 106.1 52.0 -62.7 -39.1 10.6 16.9 9.5 44 47 A D H X S+ 0 0 107 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.861 105.1 56.8 -59.1 -39.8 7.8 14.4 8.7 45 48 A E H X S+ 0 0 122 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.861 105.0 51.2 -55.9 -41.5 8.7 12.5 11.8 46 49 A V H X S+ 0 0 0 -4,-1.6 4,-1.2 -3,-0.2 -2,-0.2 0.882 111.8 46.2 -64.4 -44.4 8.1 15.7 13.9 47 50 A V H X S+ 0 0 26 -4,-1.8 4,-3.1 2,-0.2 3,-0.2 0.922 112.5 51.7 -61.9 -45.9 4.7 16.2 12.2 48 51 A A H X S+ 0 0 57 -4,-2.6 4,-3.4 1,-0.3 -2,-0.2 0.930 108.9 49.8 -60.7 -48.3 3.8 12.5 12.8 49 52 A A H X S+ 0 0 34 -4,-2.8 4,-1.7 2,-0.2 -1,-0.3 0.780 112.2 47.9 -61.3 -26.6 4.7 12.7 16.5 50 53 A I H <>S+ 0 0 3 -4,-1.2 5,-2.4 -3,-0.2 -2,-0.2 0.940 113.2 47.2 -78.7 -44.8 2.6 15.8 16.9 51 54 A A H ><5S+ 0 0 60 -4,-3.1 3,-1.9 3,-0.2 -2,-0.2 0.946 111.2 54.4 -50.7 -49.7 -0.3 14.1 15.1 52 55 A A H 3<5S+ 0 0 88 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.880 106.2 49.0 -54.3 -49.4 0.3 11.0 17.3 53 56 A A T 3<5S- 0 0 97 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.362 129.4 -95.3 -76.3 6.0 -0.0 12.9 20.6 54 57 A G T < 5S+ 0 0 67 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.330 84.9 118.7 101.5 -4.8 -3.3 14.5 19.3 55 58 A G < - 0 0 34 -5,-2.4 2,-0.4 -6,-0.2 -1,-0.2 -0.092 60.1-114.3 -84.3-175.4 -2.0 17.9 17.9 56 59 A E + 0 0 91 -26,-0.5 -24,-1.7 -30,-0.1 2,-0.3 -0.990 43.0 148.4-122.2 137.2 -2.0 19.5 14.4 57 60 A A E -c 32 0A 11 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.947 21.2-165.9-153.1 158.4 1.2 20.3 12.5 58 61 A F E -c 33 0A 33 -26,-1.5 -24,-3.0 -2,-0.3 2,-0.4 -0.978 22.5-122.2-149.4 155.9 2.4 20.5 9.0 59 62 A A E -c 34 0A 31 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.793 24.0-171.1 -95.5 138.3 5.8 20.6 7.4 60 63 A V E -c 35 0A 17 -26,-1.8 -24,-1.7 -2,-0.4 2,-0.3 -0.993 15.7-140.2-129.5 127.3 6.8 23.6 5.2 61 64 A K E +c 36 0A 136 -2,-0.4 2,-0.2 -26,-0.2 -24,-0.2 -0.655 40.0 138.9 -84.1 135.7 10.0 23.6 3.2 62 65 A A - 0 0 3 -26,-2.3 2,-0.8 -2,-0.3 -24,-0.1 -0.770 49.4-132.0-179.6 133.1 11.9 26.9 3.1 63 66 A D > - 0 0 53 -2,-0.2 3,-2.4 1,-0.1 6,-0.2 -0.839 22.7-156.5 -93.0 111.1 15.4 28.2 3.2 64 67 A V T 3 S+ 0 0 5 -2,-0.8 56,-0.2 1,-0.3 57,-0.2 0.561 86.0 66.1 -82.3 -5.0 15.1 31.0 5.7 65 68 A S T 3 S+ 0 0 25 55,-0.1 2,-0.6 1,-0.1 -1,-0.3 0.531 88.2 86.1 -84.4 -3.9 18.1 32.9 4.5 66 69 A Q S <> S- 0 0 94 -3,-2.4 4,-2.3 1,-0.2 3,-0.5 -0.858 72.2-146.9-107.7 118.6 16.2 33.5 1.3 67 70 A E H > S+ 0 0 76 -2,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.892 97.2 41.5 -52.1 -49.1 13.9 36.5 1.2 68 71 A S H > S+ 0 0 93 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.805 111.7 56.3 -71.2 -26.0 11.2 35.0 -1.2 69 72 A E H > S+ 0 0 78 -3,-0.5 4,-2.6 -6,-0.2 -1,-0.2 0.879 107.5 49.2 -68.2 -35.9 11.3 31.7 0.5 70 73 A V H X S+ 0 0 3 -4,-2.3 4,-2.4 -7,-0.2 5,-0.3 0.900 108.9 53.3 -70.9 -36.4 10.5 33.5 3.8 71 74 A E H X S+ 0 0 92 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.944 112.2 43.5 -61.6 -43.7 7.7 35.3 2.0 72 75 A A H X S+ 0 0 59 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.885 109.7 58.2 -73.5 -35.8 6.2 31.9 0.8 73 76 A L H X S+ 0 0 1 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.947 111.8 39.2 -53.8 -52.1 6.8 30.3 4.2 74 77 A F H X S+ 0 0 7 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.931 112.7 56.4 -69.1 -40.9 4.7 32.9 6.0 75 78 A A H X S+ 0 0 61 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.858 106.4 52.4 -54.3 -34.5 2.1 33.0 3.2 76 79 A A H X S+ 0 0 33 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.907 109.6 47.4 -73.5 -42.2 1.7 29.2 3.7 77 80 A V H X>S+ 0 0 1 -4,-1.6 4,-2.9 2,-0.2 5,-0.5 0.935 114.1 45.4 -60.3 -52.6 1.0 29.5 7.4 78 81 A I H X5S+ 0 0 60 -4,-2.7 4,-2.4 3,-0.2 -2,-0.2 0.915 113.6 51.9 -60.9 -40.9 -1.5 32.3 7.0 79 82 A E H <5S+ 0 0 162 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.936 115.1 40.8 -61.3 -45.1 -3.2 30.4 4.2 80 83 A R H <5S+ 0 0 127 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.947 140.0 5.8 -67.4 -47.2 -3.5 27.2 6.2 81 84 A W H <5S- 0 0 35 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.538 84.6-128.0-124.7 -7.9 -4.5 28.8 9.5 82 85 A G S < - 0 0 103 -2,-0.2 3,-0.8 1,-0.1 4,-0.5 -0.334 45.3-111.5 -58.0 150.7 40.0 29.6 13.6 99 102 A L G > S+ 0 0 1 1,-0.2 3,-1.7 2,-0.2 -1,-0.1 0.898 114.6 62.9 -55.7 -46.7 39.7 33.2 12.3 100 103 A L G 3 S+ 0 0 91 1,-0.3 -1,-0.2 273,-0.1 274,-0.1 0.845 115.6 31.8 -45.2 -39.5 43.1 33.0 10.5 101 104 A R G < S+ 0 0 174 -3,-0.8 2,-0.4 2,-0.1 -1,-0.3 0.349 87.7 126.9-105.0 1.9 41.8 30.2 8.3 102 105 A M < - 0 0 1 -3,-1.7 2,-0.2 -4,-0.5 -5,-0.1 -0.490 51.3-145.4 -69.1 120.2 38.1 31.3 8.1 103 106 A K >> - 0 0 112 -2,-0.4 4,-1.6 1,-0.1 3,-1.4 -0.601 20.9-114.4 -86.6 151.2 37.1 31.6 4.5 104 107 A R H 3> S+ 0 0 101 1,-0.3 4,-3.4 -2,-0.2 5,-0.2 0.875 115.5 54.2 -52.5 -41.2 34.6 34.3 3.4 105 108 A D H 3> S+ 0 0 111 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.799 104.9 53.9 -66.6 -25.1 31.9 31.8 2.5 106 109 A D H <> S+ 0 0 51 -3,-1.4 4,-0.7 2,-0.2 -1,-0.2 0.832 113.7 43.5 -74.9 -31.2 32.1 30.2 5.9 107 110 A W H X S+ 0 0 6 -4,-1.6 4,-2.3 -3,-0.1 3,-0.2 0.948 116.4 47.3 -69.7 -50.1 31.6 33.6 7.4 108 111 A Q H X S+ 0 0 26 -4,-3.4 4,-2.9 1,-0.2 5,-0.2 0.833 108.5 49.9 -66.9 -39.8 28.8 34.5 5.0 109 112 A S H X S+ 0 0 41 -4,-1.7 4,-1.5 -5,-0.2 5,-0.2 0.830 113.4 47.0 -73.3 -31.0 26.6 31.5 5.1 110 113 A V H X S+ 0 0 0 -4,-0.7 4,-2.4 -3,-0.2 5,-0.5 0.916 115.5 45.6 -72.3 -46.6 26.5 31.5 8.9 111 114 A L H X>S+ 0 0 11 -4,-2.3 5,-2.6 3,-0.2 4,-2.0 0.933 113.2 50.0 -59.1 -46.1 25.7 35.2 9.0 112 115 A D H <>S+ 0 0 51 -4,-2.9 5,-0.9 3,-0.2 -2,-0.2 0.913 122.0 31.8 -63.8 -47.0 23.0 35.0 6.3 113 116 A L H X5S+ 0 0 28 -4,-1.5 4,-0.7 3,-0.2 5,-0.3 0.969 125.2 38.9 -74.6 -58.8 21.2 32.1 7.9 114 117 A N H <5S+ 0 0 0 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.797 137.6 14.9 -67.5 -33.2 21.7 32.6 11.7 115 118 A L T X5S+ 0 0 2 -4,-2.0 4,-2.1 -5,-0.5 3,-0.4 0.799 128.4 48.4-106.5 -53.3 21.3 36.4 11.6 116 119 A G H > S+ 0 0 7 -3,-0.4 4,-2.5 -5,-0.3 -1,-0.2 0.909 111.5 48.0 -69.5 -38.7 16.2 36.1 12.0 119 122 A F H X S+ 0 0 1 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.965 113.7 45.5 -61.3 -55.9 15.8 39.4 10.3 120 123 A L H X S+ 0 0 10 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.923 119.1 41.2 -55.4 -47.7 13.7 38.1 7.4 121 124 A C H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.894 113.7 51.5 -76.3 -34.5 11.4 36.1 9.7 122 125 A S H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.946 110.4 51.1 -65.1 -40.7 11.1 38.7 12.4 123 126 A R H X S+ 0 0 19 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.952 113.2 43.8 -58.9 -51.4 10.2 41.3 9.7 124 127 A A H X S+ 0 0 4 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.907 114.0 50.5 -63.4 -39.0 7.5 39.0 8.3 125 128 A A H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.910 105.5 57.4 -64.1 -39.5 6.2 38.1 11.7 126 129 A A H X S+ 0 0 0 -4,-2.5 4,-3.4 2,-0.2 5,-0.3 0.916 103.3 53.2 -58.9 -45.7 6.0 41.8 12.7 127 130 A K H X S+ 0 0 83 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.947 115.2 39.1 -52.3 -53.3 3.7 42.7 9.9 128 131 A I H X S+ 0 0 33 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.909 118.9 47.8 -66.8 -43.0 1.2 39.9 10.8 129 132 A M H X>S+ 0 0 0 -4,-3.2 5,-1.5 2,-0.2 4,-1.2 0.811 108.2 53.1 -74.1 -32.5 1.6 40.5 14.6 130 133 A L H ><5S+ 0 0 37 -4,-3.4 3,-0.5 -5,-0.2 -1,-0.2 0.935 109.1 50.6 -62.9 -44.9 1.2 44.2 14.4 131 134 A K H 3<5S+ 0 0 185 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.912 116.6 41.3 -58.9 -37.8 -2.1 43.7 12.5 132 135 A Q H 3<5S- 0 0 46 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.683 100.5-137.0 -76.4 -21.0 -3.2 41.3 15.2 133 136 A R T <<5S+ 0 0 146 -4,-1.2 2,-0.3 -3,-0.5 -3,-0.2 0.829 76.6 79.5 51.1 37.6 -1.9 43.5 18.0 134 137 A S < + 0 0 37 -5,-1.5 2,-0.2 -6,-0.1 -2,-0.2 -0.972 48.5 108.0-159.2 158.2 -0.6 40.3 19.6 135 138 A G - 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