==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE, METAL-BINDING PROTEIN 31-AUG-09 3IUH . COMPND 2 MOLECULE: L-RHAMNOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS STUTZERI; . AUTHOR H.YOSHIDA,M.YAMAJI,T.ISHII,K.IZUMORI,S.KAMITORI . 1676 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51745.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1168 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 128 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 1.7 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 . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.2 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 . 89 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 153 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 700 41.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 33 2.0 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 0 0 12 4 8 8 4 0 0 3 5 4 0 0 2 6 0 0 0 0 0 0 4 0 0 RESIDUES PER ALPHA HELIX . 8 16 0 12 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 . 8 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 4 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 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 F 0 0 162 0, 0.0 4,-0.1 0, 0.0 83,-0.1 0.000 360.0 360.0 360.0 108.9 -60.7 -31.4 37.0 2 5 A R + 0 0 33 1,-0.2 2,-0.5 81,-0.1 82,-0.1 0.839 360.0 49.0 -67.3 -32.2 -57.6 -31.5 34.8 3 6 A I S S- 0 0 2 81,-0.0 -1,-0.2 2,-0.0 5,-0.1 -0.945 102.9-108.2-112.2 125.6 -55.7 -32.7 37.9 4 7 A A >> - 0 0 45 -2,-0.5 4,-1.9 1,-0.2 3,-1.0 -0.247 19.4-137.8 -52.8 127.3 -57.2 -35.5 40.0 5 8 A Q H 3> S+ 0 0 122 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.780 103.2 59.9 -58.7 -27.8 -58.5 -34.1 43.3 6 9 A D H 3> S+ 0 0 87 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.812 104.5 48.4 -71.9 -30.4 -57.0 -37.2 45.1 7 10 A V H <> S+ 0 0 22 -3,-1.0 4,-3.2 2,-0.2 5,-0.2 0.921 112.2 49.0 -73.1 -44.6 -53.5 -36.2 43.9 8 11 A V H X S+ 0 0 14 -4,-1.9 4,-1.1 2,-0.2 389,-0.2 0.945 113.1 46.9 -58.2 -49.7 -54.0 -32.6 45.0 9 12 A A H X S+ 0 0 46 -4,-2.5 4,-2.6 1,-0.2 3,-0.5 0.928 114.3 48.5 -57.8 -47.6 -55.3 -33.8 48.4 10 13 A R H X S+ 0 0 124 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.943 111.9 46.6 -58.9 -53.4 -52.4 -36.2 48.7 11 14 A E H < S+ 0 0 15 -4,-3.2 -1,-0.2 1,-0.2 4,-0.2 0.630 114.0 51.1 -67.6 -12.7 -49.7 -33.7 47.7 12 15 A N H >X S+ 0 0 18 -4,-1.1 4,-1.4 -3,-0.5 3,-1.1 0.874 108.7 47.7 -88.6 -45.5 -51.2 -31.2 50.1 13 16 A D H 3X S+ 0 0 116 -4,-2.6 4,-0.6 1,-0.3 3,-0.4 0.892 104.9 62.6 -61.1 -38.3 -51.3 -33.5 53.1 14 17 A R H 3< S+ 0 0 156 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.756 118.6 26.4 -58.8 -25.1 -47.7 -34.5 52.4 15 18 A R H <> S+ 0 0 63 -3,-1.1 4,-2.2 -4,-0.2 -1,-0.2 0.433 94.1 96.6-118.6 -2.1 -46.7 -30.8 53.0 16 19 A A H X S+ 0 0 35 -4,-1.4 4,-2.3 -3,-0.4 5,-0.2 0.845 81.7 54.6 -58.2 -39.3 -49.5 -29.6 55.4 17 20 A S H X S+ 0 0 90 -4,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.937 111.4 43.3 -63.0 -47.3 -47.5 -30.2 58.6 18 21 A A H > S+ 0 0 37 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.903 113.5 52.5 -65.1 -40.7 -44.5 -28.1 57.4 19 22 A L H X S+ 0 0 12 -4,-2.2 4,-3.2 1,-0.2 5,-0.3 0.885 106.0 53.5 -62.9 -39.3 -46.8 -25.4 56.0 20 23 A K H X S+ 0 0 112 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.905 110.3 48.4 -62.4 -39.9 -48.6 -25.1 59.4 21 24 A E H X S+ 0 0 86 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.910 115.7 42.7 -65.6 -44.6 -45.3 -24.6 61.1 22 25 A D H X S+ 0 0 36 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.906 113.5 50.8 -70.4 -43.1 -44.2 -21.9 58.6 23 26 A Y H X S+ 0 0 27 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.921 112.7 46.0 -61.7 -45.5 -47.5 -20.1 58.5 24 27 A E H X S+ 0 0 105 -4,-2.0 4,-2.3 -5,-0.3 5,-0.2 0.912 111.3 51.6 -65.4 -42.5 -47.8 -19.9 62.2 25 28 A A H X S+ 0 0 34 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.928 114.6 43.9 -59.2 -44.3 -44.2 -18.7 62.7 26 29 A L H X S+ 0 0 17 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.857 109.6 56.8 -69.0 -35.3 -44.8 -16.0 60.0 27 30 A G H X S+ 0 0 16 -4,-2.5 4,-1.8 -5,-0.2 10,-0.3 0.903 110.3 44.6 -61.8 -39.8 -48.2 -15.2 61.6 28 31 A A H X S+ 0 0 42 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.890 113.0 50.1 -70.8 -42.1 -46.4 -14.5 64.9 29 32 A N H X S+ 0 0 24 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.918 113.1 46.3 -63.7 -42.3 -43.6 -12.5 63.3 30 33 A L H ><>S+ 0 0 0 -4,-2.9 5,-2.9 1,-0.2 3,-0.5 0.862 108.5 57.0 -68.2 -33.9 -46.1 -10.4 61.4 31 34 A A H ><5S+ 0 0 66 -4,-1.8 3,-1.9 1,-0.3 -1,-0.2 0.911 103.4 52.9 -62.2 -41.8 -48.1 -10.0 64.7 32 35 A R H 3<5S+ 0 0 101 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.720 109.0 51.5 -65.0 -20.4 -45.0 -8.5 66.3 33 36 A R T <<5S- 0 0 88 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.249 123.2-107.2 -98.7 9.3 -44.9 -6.1 63.4 34 37 A G T < 5S+ 0 0 72 -3,-1.9 2,-0.4 1,-0.2 -3,-0.2 0.825 79.1 128.1 69.9 31.6 -48.5 -5.1 63.9 35 38 A V < - 0 0 38 -5,-2.9 2,-0.8 -8,-0.1 -1,-0.2 -0.980 56.4-137.5-124.5 131.3 -49.8 -7.0 60.8 36 39 A D >> - 0 0 99 -2,-0.4 4,-1.3 1,-0.2 3,-0.8 -0.773 10.1-158.6 -86.8 109.1 -52.6 -9.5 60.8 37 40 A I H 3> S+ 0 0 19 -2,-0.8 4,-2.5 -10,-0.3 5,-0.2 0.836 91.0 60.5 -56.9 -33.6 -51.5 -12.4 58.6 38 41 A E H 3> S+ 0 0 77 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.892 101.3 53.3 -61.1 -40.1 -55.1 -13.4 58.0 39 42 A A H <> S+ 0 0 53 -3,-0.8 4,-1.2 2,-0.2 -1,-0.2 0.859 110.1 47.9 -63.7 -36.6 -55.8 -10.0 56.4 40 43 A V H X S+ 0 0 9 -4,-1.3 4,-2.7 2,-0.2 3,-0.4 0.954 110.6 49.7 -69.8 -49.8 -52.9 -10.5 54.0 41 44 A T H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.3 5,-0.2 0.896 107.4 55.9 -55.3 -42.4 -53.9 -14.0 53.0 42 45 A A H < S+ 0 0 31 -4,-2.3 -1,-0.3 1,-0.2 4,-0.2 0.871 111.4 43.9 -59.0 -38.0 -57.5 -12.8 52.4 43 46 A K H >< S+ 0 0 108 -4,-1.2 3,-0.9 -3,-0.4 -2,-0.2 0.900 112.8 51.6 -74.6 -39.9 -56.1 -10.3 50.0 44 47 A V H >< S+ 0 0 0 -4,-2.7 3,-2.5 1,-0.2 -2,-0.2 0.930 102.5 57.0 -63.1 -47.5 -53.7 -12.7 48.3 45 48 A E T 3< S+ 0 0 54 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.620 109.2 50.7 -61.9 -8.2 -56.3 -15.4 47.6 46 49 A K T < S+ 0 0 147 -3,-0.9 2,-0.7 -4,-0.2 -1,-0.3 0.339 82.8 105.8-109.5 4.4 -58.2 -12.7 45.7 47 50 A F < - 0 0 25 -3,-2.5 2,-0.3 -4,-0.1 297,-0.1 -0.770 50.4-177.6 -89.3 118.1 -55.3 -11.4 43.5 48 51 A F - 0 0 97 -2,-0.7 2,-0.4 44,-0.1 273,-0.2 -0.841 15.7-171.6-118.4 152.6 -55.8 -12.6 39.9 49 52 A V - 0 0 4 42,-2.5 45,-0.3 -2,-0.3 273,-0.2 -0.996 28.2-116.1-141.0 134.3 -53.7 -12.3 36.7 50 53 A A B -a 322 0A 2 271,-2.3 273,-2.5 -2,-0.4 45,-0.2 -0.397 23.3-138.1 -71.3 145.1 -54.8 -13.3 33.2 51 54 A V E -h 95 0B 0 43,-2.3 45,-3.1 271,-0.2 2,-0.4 -0.888 16.3-123.2-106.9 135.3 -52.9 -16.1 31.4 52 55 A P E > -h 96 0B 0 0, 0.0 3,-2.1 0, 0.0 4,-0.4 -0.631 10.9-143.5 -77.7 124.8 -52.1 -15.7 27.7 53 56 A S G > S+ 0 0 0 43,-2.4 3,-1.0 -2,-0.4 4,-0.2 0.841 100.9 56.9 -55.4 -34.0 -53.5 -18.6 25.7 54 57 A W G 3 S+ 0 0 46 42,-0.3 3,-0.3 1,-0.2 -1,-0.3 0.493 94.9 65.0 -78.4 -4.4 -50.4 -18.5 23.5 55 58 A G G < S+ 0 0 1 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.483 83.6 74.0 -96.6 -3.1 -48.0 -19.0 26.4 56 59 A V S < S+ 0 0 0 -3,-1.0 277,-0.3 -4,-0.4 2,-0.2 0.628 91.5 65.8 -84.3 -11.3 -49.2 -22.5 27.3 57 60 A G S S- 0 0 9 -3,-0.3 270,-0.5 -4,-0.2 2,-0.1 -0.692 104.6 -83.8-104.4 160.4 -47.3 -23.8 24.2 58 61 A T - 0 0 5 -2,-0.2 270,-0.2 268,-0.1 2,-0.1 -0.410 45.4-146.8 -67.4 135.2 -43.5 -23.8 23.8 59 62 A G - 0 0 15 268,-1.8 7,-0.5 -4,-0.1 2,-0.3 -0.452 16.9-174.5 -94.7 172.2 -42.1 -20.5 22.5 60 63 A G B -J 65 0C 19 5,-0.2 5,-0.2 -2,-0.1 2,-0.2 -0.921 17.8-116.2-154.4 179.5 -39.1 -20.0 20.3 61 64 A T - 0 0 21 3,-2.7 3,-0.2 -2,-0.3 418,-0.0 -0.567 43.1 -92.5-115.6-179.0 -36.7 -17.5 18.6 62 65 A R S S+ 0 0 71 1,-0.2 3,-0.1 -2,-0.2 416,-0.1 0.662 126.4 54.8 -68.3 -13.1 -35.9 -16.5 15.0 63 66 A F S S- 0 0 45 1,-0.3 2,-0.3 533,-0.0 -1,-0.2 0.830 123.2 -37.0 -88.7 -35.4 -33.1 -19.1 15.3 64 67 A A - 0 0 20 -3,-0.2 -3,-2.7 483,-0.1 2,-0.4 -0.971 40.1-132.5-178.7 165.4 -35.2 -22.1 16.3 65 68 A R B -J 60 0C 121 -2,-0.3 483,-0.2 -5,-0.2 -5,-0.2 -0.997 13.1-165.0-132.0 132.5 -38.1 -23.6 18.3 66 69 A F - 0 0 30 -7,-0.5 -7,-0.1 -2,-0.4 -2,-0.0 -0.729 15.5-160.3-121.4 81.7 -37.7 -26.7 20.4 67 70 A P - 0 0 68 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.192 4.7-144.7 -61.4 149.1 -41.1 -28.1 21.3 68 71 A G - 0 0 34 1,-0.2 3,-0.4 262,-0.1 2,-0.2 -0.118 38.8 -66.2 -94.8-160.5 -41.6 -30.4 24.2 69 72 A T S S+ 0 0 87 1,-0.2 -1,-0.2 -2,-0.1 344,-0.1 -0.531 111.6 23.1 -90.2 158.6 -44.1 -33.3 24.3 70 73 A G S S- 0 0 5 343,-0.3 -1,-0.2 346,-0.3 343,-0.1 0.862 77.7-175.0 57.4 40.9 -47.9 -32.9 24.3 71 74 A E - 0 0 34 -3,-0.4 -1,-0.2 1,-0.1 2,-0.1 -0.409 34.8 -99.5 -66.6 141.8 -47.9 -29.5 22.7 72 75 A P - 0 0 19 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.419 26.2-155.4 -64.9 135.4 -51.4 -28.0 22.4 73 76 A R - 0 0 149 -2,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.731 66.6 -27.3 -83.5 -25.1 -52.9 -28.5 19.0 74 77 A G S > S- 0 0 30 28,-0.0 4,-2.2 1,-0.0 5,-0.1 -0.893 87.4 -55.6-165.5-164.5 -55.2 -25.5 19.2 75 78 A I H > S+ 0 0 10 26,-0.3 4,-2.4 -2,-0.3 5,-0.2 0.858 125.4 53.9 -61.1 -38.0 -57.2 -23.2 21.5 76 79 A F H > S+ 0 0 59 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.900 110.0 46.0 -67.0 -39.4 -59.2 -26.0 23.1 77 80 A D H > S+ 0 0 15 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.926 112.4 53.7 -65.7 -42.1 -56.0 -27.9 24.1 78 81 A K H X S+ 0 0 35 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.874 108.1 48.6 -59.3 -40.0 -54.7 -24.5 25.3 79 82 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.920 108.3 54.8 -66.8 -43.1 -57.7 -23.9 27.5 80 83 A D H X S+ 0 0 21 -4,-2.2 4,-0.6 1,-0.2 -2,-0.2 0.922 112.6 42.7 -54.4 -46.2 -57.4 -27.4 28.9 81 84 A D H >X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 3,-1.1 0.885 109.8 55.8 -69.6 -39.0 -53.8 -26.7 30.0 82 85 A C H 3X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.3 -1,-0.2 0.838 100.0 62.6 -60.8 -31.2 -54.7 -23.2 31.3 83 86 A A H 3X S+ 0 0 6 -4,-2.1 4,-2.5 1,-0.2 -1,-0.3 0.789 98.0 56.0 -64.0 -28.3 -57.2 -25.0 33.5 84 87 A V H S+ 0 0 0 -4,-1.2 4,-2.6 2,-0.2 5,-0.6 0.935 114.3 43.7 -60.6 -48.3 -52.7 -23.4 36.0 86 89 A Q H X5S+ 0 0 24 -4,-2.1 4,-2.3 6,-0.2 -2,-0.2 0.933 112.5 51.8 -64.5 -46.9 -55.9 -22.1 37.6 87 90 A Q H <5S+ 0 0 14 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.910 119.2 34.9 -57.9 -44.5 -56.8 -25.3 39.4 88 91 A L H <5S+ 0 0 0 -4,-2.3 308,-2.5 307,-0.2 -2,-0.2 0.864 133.0 25.0 -81.0 -39.1 -53.3 -25.5 41.1 89 92 A T H <5S- 0 0 0 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.711 79.4-154.2 -97.5 -25.1 -52.5 -21.8 41.7 90 93 A R S < -b 124 0A 13 -2,-0.2 4,-3.2 25,-0.2 27,-0.2 -0.989 25.9-114.9-126.1 124.4 -55.4 -14.0 20.6 99 102 A I T 4 S+ 0 0 8 25,-2.5 27,-0.1 -2,-0.4 62,-0.1 -0.879 89.2 9.6-109.1 142.1 -57.1 -13.7 17.2 100 103 A P T >4 S+ 0 0 48 0, 0.0 3,-2.2 0, 0.0 -1,-0.3 -0.994 122.6 63.6 -83.4 -0.7 -56.9 -15.2 14.7 101 104 A W T 34 S+ 0 0 123 1,-0.3 -26,-0.3 -27,-0.0 -2,-0.2 0.882 115.2 34.1 -48.6 -43.8 -54.7 -17.9 16.4 102 105 A D T 3< S+ 0 0 1 -4,-3.2 -1,-0.3 -28,-0.1 -3,-0.2 0.139 82.8 148.5-100.5 20.2 -57.6 -18.9 18.7 103 106 A K < + 0 0 119 -3,-2.2 2,-0.3 -5,-0.2 -28,-0.2 -0.326 22.4 130.0 -56.9 131.2 -60.5 -18.2 16.3 104 107 A A - 0 0 20 -29,-0.1 5,-0.1 0, 0.0 -2,-0.1 -0.956 69.0 -52.8-173.6 163.2 -63.3 -20.7 17.1 105 108 A D >> - 0 0 76 -2,-0.3 4,-2.4 1,-0.2 3,-0.9 -0.281 48.8-147.3 -50.7 107.2 -67.0 -20.8 17.7 106 109 A P H 3> S+ 0 0 28 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.855 98.9 53.4 -46.1 -42.0 -67.4 -18.2 20.4 107 110 A K H 3> S+ 0 0 143 1,-0.2 4,-1.8 2,-0.2 -2,-0.1 0.883 108.8 49.4 -62.7 -38.3 -70.2 -20.2 21.9 108 111 A E H <> S+ 0 0 105 -3,-0.9 4,-2.3 2,-0.2 5,-0.2 0.931 109.7 51.1 -65.8 -46.3 -68.0 -23.3 22.0 109 112 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.922 110.2 48.8 -56.2 -48.3 -65.2 -21.3 23.7 110 113 A K H X S+ 0 0 70 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.872 108.8 56.0 -60.3 -38.4 -67.5 -20.0 26.4 111 114 A A H X S+ 0 0 42 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.955 111.0 40.6 -60.2 -54.1 -68.8 -23.6 26.9 112 115 A R H X S+ 0 0 87 -4,-2.3 4,-3.3 2,-0.2 5,-0.2 0.891 112.8 57.7 -63.1 -38.8 -65.3 -25.0 27.6 113 116 A G H X>S+ 0 0 0 -4,-2.5 5,-3.1 -5,-0.2 4,-1.2 0.969 109.7 42.1 -54.7 -57.1 -64.5 -22.0 29.7 114 117 A D H ><5S+ 0 0 93 -4,-2.7 3,-0.5 1,-0.2 -1,-0.2 0.901 115.0 52.5 -57.3 -41.8 -67.4 -22.5 32.0 115 118 A A H 3<5S+ 0 0 71 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.924 113.7 41.8 -60.4 -46.4 -66.7 -26.2 32.1 116 119 A L H 3<5S- 0 0 33 -4,-3.3 -1,-0.2 -5,-0.1 -2,-0.2 0.537 116.0-112.0 -79.2 -8.2 -63.0 -25.7 33.0 117 120 A G T <<5S+ 0 0 48 -4,-1.2 2,-0.3 -3,-0.5 -3,-0.2 0.835 74.6 130.9 79.3 32.9 -63.8 -22.9 35.5 118 121 A L < - 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