==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-OCT-04 1VPB . COMPND 2 MOLECULE: PUTATIVE MODULATOR OF DNA GYRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 437 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20206.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 304 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 131 30.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 26 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 16.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 1 2 1 0 0 2 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 0 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 PARALLEL BRIDGES PER LADDER . 3 1 3 1 0 1 1 1 0 2 0 0 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 2 0 1 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 M 0 0 175 0, 0.0 2,-0.7 0, 0.0 158,-0.1 0.000 360.0 360.0 360.0 170.6 15.2 45.1 32.3 2 2 A I - 0 0 8 158,-0.1 2,-0.0 4,-0.0 158,-0.0 -0.905 360.0-140.7 -89.2 121.5 12.1 45.6 34.4 3 3 A T > - 0 0 53 -2,-0.7 4,-2.5 1,-0.1 5,-0.2 -0.263 19.8-110.3 -84.9 169.4 11.9 49.4 34.4 4 4 A D H > S+ 0 0 128 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.888 123.1 53.3 -63.5 -37.2 11.0 51.9 37.1 5 5 A E H > S+ 0 0 92 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.916 107.8 50.1 -62.8 -46.9 7.8 52.6 35.2 6 6 A N H > S+ 0 0 56 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.914 111.6 49.0 -53.6 -48.7 7.0 48.8 35.1 7 7 A K H X S+ 0 0 37 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.913 108.4 52.5 -62.2 -41.1 7.6 48.6 38.9 8 8 A K H X S+ 0 0 59 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.882 107.4 53.3 -62.0 -33.6 5.3 51.7 39.5 9 9 A L H X S+ 0 0 21 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.938 110.6 46.1 -69.1 -41.4 2.6 49.9 37.4 10 10 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.908 113.3 49.3 -64.4 -38.3 2.9 46.8 39.7 11 11 A Q H X S+ 0 0 85 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.880 109.8 51.7 -69.5 -37.6 2.9 49.0 42.8 12 12 A W H X S+ 0 0 43 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.940 109.6 50.1 -63.3 -42.7 -0.2 50.8 41.5 13 13 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.888 110.3 49.6 -65.1 -41.8 -2.0 47.5 40.9 14 14 A M H X S+ 0 0 18 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.942 113.4 46.1 -57.5 -52.5 -1.2 46.3 44.4 15 15 A D H X S+ 0 0 85 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.913 111.9 51.5 -59.6 -42.8 -2.5 49.6 45.9 16 16 A Y H X S+ 0 0 36 -4,-2.9 4,-1.1 1,-0.2 -1,-0.2 0.927 110.6 48.3 -62.8 -47.4 -5.6 49.5 43.7 17 17 A A H <>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 3,-0.5 0.917 113.2 47.6 -58.1 -43.9 -6.4 45.9 44.8 18 18 A L H ><5S+ 0 0 62 -4,-2.4 3,-0.6 1,-0.2 -2,-0.2 0.870 113.1 47.7 -68.9 -31.8 -5.9 46.8 48.5 19 19 A K H 3<5S+ 0 0 103 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.603 112.0 51.2 -82.3 -14.3 -8.0 49.9 48.4 20 20 A N T 3<5S- 0 0 52 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.131 134.0 -53.8-121.6 23.9 -10.9 48.2 46.5 21 21 A G T < 5S+ 0 0 25 -3,-0.6 2,-0.5 1,-0.3 40,-0.4 0.159 92.7 117.9 135.6 -14.6 -11.6 45.1 48.6 22 22 A C < - 0 0 7 -5,-2.3 -1,-0.3 -6,-0.2 38,-0.2 -0.713 39.1-167.3 -82.7 129.7 -8.5 43.0 49.2 23 23 A Q S S+ 0 0 121 36,-1.7 2,-0.3 -2,-0.5 -1,-0.2 0.740 87.0 2.8 -73.6 -28.5 -7.3 42.5 52.8 24 24 A A E S-A 59 0A 13 35,-1.3 35,-2.1 -7,-0.1 2,-0.3 -0.983 70.7-178.8-155.5 156.2 -4.2 41.1 51.1 25 25 A A E -A 58 0A 0 -2,-0.3 140,-2.5 33,-0.2 2,-0.4 -0.988 17.8-148.0-155.2 159.0 -2.8 40.6 47.6 26 26 A K E -AB 57 164A 14 31,-1.9 31,-2.2 -2,-0.3 2,-0.4 -0.979 18.7-165.4-124.7 140.8 0.2 39.3 45.6 27 27 A V E -AB 56 163A 1 136,-2.8 136,-2.4 -2,-0.4 2,-0.4 -0.993 6.0-171.9-129.9 133.4 1.2 40.9 42.3 28 28 A L E -AB 55 162A 44 27,-2.6 27,-2.5 -2,-0.4 2,-0.5 -0.997 4.0-170.3-119.0 128.2 3.6 39.5 39.6 29 29 A L E +AB 54 161A 10 132,-2.9 132,-2.7 -2,-0.4 2,-0.3 -0.973 21.5 176.7-113.6 124.1 4.7 41.5 36.7 30 30 A Y E +AB 53 160A 76 23,-2.4 23,-2.1 -2,-0.5 2,-0.3 -0.912 13.7 177.5-126.2 154.7 6.5 39.3 34.2 31 31 A S E +AB 52 159A 33 128,-2.3 128,-2.7 -2,-0.3 2,-0.3 -0.992 4.5 167.3-152.0 160.0 8.1 39.6 30.9 32 32 A S E -AB 51 158A 23 19,-2.6 19,-2.8 -2,-0.3 2,-0.3 -0.986 14.1-160.9-157.0 164.9 10.0 37.5 28.5 33 33 A S E -AB 50 157A 24 124,-1.9 124,-2.1 -2,-0.3 2,-0.3 -0.971 15.2-178.2-149.6 157.7 11.2 37.2 25.0 34 34 A N E -AB 49 156A 49 15,-2.3 15,-2.1 -2,-0.3 2,-0.4 -0.991 18.4-153.0-154.2 153.0 12.3 34.3 22.9 35 35 A T E -AB 48 155A 13 120,-1.1 120,-2.3 -2,-0.3 2,-0.4 -0.993 12.1-174.2-127.1 137.9 13.7 33.1 19.5 36 36 A S E -AB 47 154A 46 11,-2.8 11,-2.4 -2,-0.4 2,-0.5 -0.996 4.0-177.6-127.5 124.4 13.2 29.7 17.9 37 37 A F E -AB 46 153A 18 116,-2.4 116,-2.7 -2,-0.4 2,-0.4 -0.993 8.8-173.3-113.4 128.4 14.9 28.4 14.8 38 38 A E E -AB 45 152A 48 7,-2.0 7,-2.3 -2,-0.5 2,-0.4 -0.980 1.5-175.1-121.8 133.9 13.9 24.9 13.5 39 39 A L E - B 0 151A 17 112,-3.1 112,-2.1 -2,-0.4 2,-0.3 -0.916 8.5-175.9-122.4 142.4 15.5 23.1 10.6 40 40 A R E B 0 150A 110 -2,-0.4 110,-0.2 110,-0.2 -2,-0.0 -0.870 360.0 360.0-141.9 114.5 14.7 19.8 9.0 41 41 A D 0 0 108 108,-2.6 109,-0.1 -2,-0.3 3,-0.1 0.830 360.0 360.0 45.7 360.0 16.9 18.5 6.3 42 ! 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 43 44 A M 0 0 81 0, 0.0 -5,-0.1 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 58.5 11.8 23.9 5.8 44 45 A D - 0 0 110 -5,-0.1 2,-0.4 -3,-0.1 -5,-0.2 -0.230 360.0-167.6 -51.9 133.5 13.6 26.7 7.9 45 46 A R E -A 38 0A 71 -7,-2.3 -7,-2.0 2,-0.0 2,-0.4 -0.986 11.8-171.7-130.3 139.5 11.3 28.0 10.5 46 47 A L E +A 37 0A 96 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.998 5.5 175.5-127.5 129.5 11.6 31.1 12.7 47 48 A Q E +A 36 0A 58 -11,-2.4 -11,-2.8 -2,-0.4 2,-0.4 -0.999 3.5 179.0-126.4 132.8 9.4 32.1 15.6 48 49 A Q E -A 35 0A 119 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.987 3.3-177.9-129.2 147.3 10.0 35.1 17.9 49 50 A A E -A 34 0A 49 -15,-2.1 -15,-2.3 -2,-0.4 2,-0.4 -0.990 15.1-171.7-143.8 148.1 7.9 36.3 20.8 50 51 A S E +A 33 0A 103 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.2 -0.984 21.4 172.1-139.7 122.3 7.9 39.1 23.3 51 52 A E E +A 32 0A 68 -19,-2.8 -19,-2.6 -2,-0.4 2,-0.3 -0.936 12.3 172.1-137.0 152.1 5.4 39.0 26.2 52 53 A G E +A 31 0A 33 -2,-0.3 2,-0.3 -21,-0.3 -21,-0.2 -0.921 13.9 153.5-157.1 139.7 4.6 40.9 29.4 53 54 A G E -A 30 0A 0 -23,-2.1 -23,-2.4 -2,-0.3 2,-0.4 -0.925 34.9-117.5-157.1-178.6 1.8 40.7 31.9 54 55 A L E -AC 29 69A 0 15,-3.1 15,-2.7 -2,-0.3 2,-0.4 -0.999 22.1-173.4-130.5 130.5 0.4 41.1 35.3 55 56 A S E -AC 28 68A 33 -27,-2.5 -27,-2.6 -2,-0.4 2,-0.4 -0.962 6.6-168.3-122.7 138.3 -0.9 38.3 37.6 56 57 A L E -AC 27 67A 4 11,-2.8 11,-2.3 -2,-0.4 2,-0.5 -0.988 17.5-152.1-129.7 146.0 -2.6 38.9 40.9 57 58 A S E -AC 26 66A 19 -31,-2.2 -31,-1.9 -2,-0.4 2,-0.5 -0.966 25.1-153.4-108.7 125.1 -3.7 36.7 43.8 58 59 A L E -AC 25 65A 0 7,-3.0 7,-1.9 -2,-0.5 2,-0.7 -0.904 14.6-166.0-112.0 120.6 -6.7 38.3 45.5 59 60 A Y E +AC 24 64A 18 -35,-2.1 -36,-1.7 -2,-0.5 -35,-1.3 -0.942 23.9 168.5-106.7 103.7 -7.5 37.7 49.3 60 61 A V E > - C 0 63A 0 3,-2.2 3,-2.5 -2,-0.7 -38,-0.2 -0.928 63.6 -32.4-130.1 104.2 -11.1 39.0 49.6 61 62 A D T 3 S- 0 0 64 -2,-0.5 3,-0.1 -40,-0.4 -1,-0.1 0.878 124.0 -45.3 55.5 36.4 -13.1 38.4 52.6 62 63 A G T 3 S+ 0 0 35 1,-0.4 32,-2.8 31,-0.1 -1,-0.3 0.287 118.9 110.1 91.4 -14.3 -11.6 35.0 53.3 63 64 A R E < -C 60 0A 69 -3,-2.5 -3,-2.2 30,-0.3 2,-0.4 -0.569 56.0-146.5 -89.0 165.2 -11.9 34.0 49.7 64 65 A Y E +C 59 0A 52 28,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.995 20.6 171.1-142.7 124.7 -8.9 33.5 47.3 65 66 A G E -C 58 0A 9 -7,-1.9 -7,-3.0 -2,-0.4 2,-0.4 -0.955 20.3-143.8-135.2 153.5 -8.9 34.2 43.5 66 67 A S E +C 57 0A 88 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.963 19.9 171.2-124.6 128.4 -6.4 34.4 40.7 67 68 A I E -C 56 0A 25 -11,-2.3 -11,-2.8 -2,-0.4 2,-0.3 -0.963 5.7-175.8-130.9 156.4 -6.5 36.8 37.7 68 69 A S E +C 55 0A 76 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.988 6.3 168.2-155.1 140.2 -4.0 37.6 35.0 69 70 A T E -C 54 0A 18 -15,-2.7 -15,-3.1 -2,-0.3 -2,-0.0 -0.992 31.6-163.7-149.7 152.8 -3.8 40.1 32.1 70 71 A N S S+ 0 0 113 -2,-0.3 2,-0.8 -17,-0.2 -18,-0.1 0.157 72.2 98.3-117.4 14.8 -1.6 41.5 29.5 71 72 A R + 0 0 162 -17,-0.1 -18,-0.0 1,-0.1 -1,-0.0 -0.875 51.7 174.7-105.2 98.8 -3.9 44.4 28.9 72 73 A L + 0 0 53 -2,-0.8 2,-0.2 4,-0.1 -1,-0.1 0.167 27.1 124.9-108.3 14.9 -2.2 47.1 31.0 73 74 A N > - 0 0 55 1,-0.1 4,-2.7 4,-0.0 5,-0.2 -0.525 65.5-126.7 -68.1 138.7 -3.9 50.5 30.5 74 75 A R H > S+ 0 0 111 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.905 105.6 57.4 -63.0 -35.2 -4.8 51.6 33.9 75 76 A K H > S+ 0 0 76 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.918 113.2 38.5 -60.7 -45.5 -8.5 52.2 32.9 76 77 A E H > S+ 0 0 79 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.854 114.5 55.6 -73.2 -34.2 -9.0 48.6 31.7 77 78 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.885 103.0 56.2 -63.7 -39.7 -6.9 47.3 34.6 78 79 A E H X S+ 0 0 80 -4,-3.0 4,-2.6 -5,-0.2 5,-0.2 0.954 111.9 42.0 -55.1 -50.2 -9.2 49.1 37.1 79 80 A T H X S+ 0 0 84 -4,-1.4 4,-2.5 -5,-0.2 -2,-0.2 0.909 115.0 50.3 -61.8 -45.8 -12.2 47.3 35.7 80 81 A F H X S+ 0 0 72 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.896 114.2 43.6 -61.6 -47.1 -10.4 43.9 35.4 81 82 A I H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.940 114.6 48.7 -65.6 -46.9 -9.1 44.0 39.0 82 83 A K H X S+ 0 0 71 -4,-2.6 4,-2.6 -5,-0.3 5,-0.2 0.911 111.9 49.5 -62.3 -40.9 -12.4 45.2 40.5 83 84 A N H X S+ 0 0 89 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.900 110.4 51.5 -63.1 -38.7 -14.3 42.5 38.7 84 85 A G H X S+ 0 0 8 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.905 110.8 48.0 -61.7 -41.8 -11.7 40.0 39.9 85 86 A I H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.946 114.1 45.4 -63.3 -48.8 -12.2 41.1 43.5 86 87 A D H < S+ 0 0 40 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.895 114.4 48.9 -68.5 -34.6 -16.0 41.0 43.3 87 88 A S H >< S+ 0 0 73 -4,-2.4 3,-1.1 -5,-0.2 4,-0.4 0.896 107.9 54.6 -68.4 -40.6 -16.0 37.6 41.5 88 89 A T H >< S+ 0 0 9 -4,-2.4 3,-1.9 1,-0.3 -2,-0.2 0.882 98.7 63.3 -61.5 -39.5 -13.6 36.2 44.1 89 90 A R T 3< S+ 0 0 70 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.714 92.3 64.4 -61.2 -23.7 -15.9 37.2 46.9 90 91 A Y T < S+ 0 0 199 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.675 86.4 92.3 -73.7 -14.5 -18.6 34.9 45.5 91 92 A L S < S- 0 0 83 -3,-1.9 2,-0.3 -4,-0.4 -28,-0.1 -0.228 92.8 -93.2 -65.6 163.9 -16.4 31.8 46.2 92 93 A A - 0 0 89 1,-0.1 -28,-0.3 -28,-0.1 -1,-0.1 -0.603 53.1-101.4 -72.0 141.0 -16.7 29.9 49.5 93 94 A K - 0 0 126 -2,-0.3 2,-0.4 -30,-0.1 -30,-0.3 -0.309 29.1-159.8 -66.2 148.8 -14.2 31.2 51.9 94 95 A D > - 0 0 49 -32,-2.8 3,-1.7 3,-0.1 -32,-0.1 -0.890 4.8-172.1-128.6 100.4 -10.9 29.3 52.5 95 96 A E T 3 S+ 0 0 136 -2,-0.4 -1,-0.1 1,-0.3 -32,-0.1 0.596 81.4 66.3 -75.9 -10.8 -9.4 30.3 55.8 96 97 A A T 3 S+ 0 0 13 -34,-0.1 2,-1.4 1,-0.1 -1,-0.3 0.613 76.1 95.1 -80.5 -13.3 -6.2 28.4 55.1 97 98 A R < + 0 0 80 -3,-1.7 2,-0.3 -35,-0.3 -3,-0.1 -0.676 59.1 141.8 -81.1 94.6 -5.4 30.8 52.2 98 99 A V - 0 0 52 -2,-1.4 2,-0.2 -34,-0.0 224,-0.1 -0.868 54.9-101.3-130.3 160.7 -3.2 33.2 54.2 99 100 A L - 0 0 30 -2,-0.3 2,-0.0 1,-0.1 200,-0.0 -0.522 47.6 -99.7 -76.9 152.1 0.0 35.1 53.5 100 101 A A - 0 0 3 199,-0.3 -1,-0.1 -2,-0.2 5,-0.1 -0.332 44.3 -89.6 -63.3 157.2 3.2 33.7 54.8 101 102 A D > - 0 0 91 1,-0.1 3,-2.2 3,-0.0 4,-0.2 -0.574 38.3-135.9 -63.7 123.3 4.7 35.1 58.0 102 103 A P G > S+ 0 0 49 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.682 98.9 75.5 -68.1 -10.0 7.0 37.9 56.7 103 104 A S G 3 S+ 0 0 87 1,-0.3 4,-0.1 198,-0.0 -2,-0.0 0.746 93.9 56.6 -67.6 -21.7 9.8 36.8 59.0 104 105 A R G < S+ 0 0 52 -3,-2.2 198,-2.8 2,-0.1 -1,-0.3 0.501 85.5 108.3 -84.6 -9.8 10.2 33.9 56.4 105 106 A Y B < S-F 301 0B 4 -3,-1.5 2,-0.3 196,-0.3 196,-0.2 -0.354 83.9 -93.1 -70.5 151.0 10.7 36.1 53.4 106 107 A Y - 0 0 37 194,-2.2 63,-0.3 1,-0.1 -1,-0.1 -0.465 34.8-160.8 -55.6 132.8 13.9 36.6 51.5 107 108 A K - 0 0 145 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.0 0.293 32.3-125.3-113.1 13.9 15.5 39.8 53.0 108 109 A G S S+ 0 0 38 187,-0.1 -1,-0.3 1,-0.1 62,-0.0 -0.070 73.7 95.0 77.9 175.5 17.9 40.6 50.1 109 110 A G + 0 0 86 1,-0.3 3,-0.1 -3,-0.1 -1,-0.1 0.312 48.7 132.0 87.0 -3.4 21.6 41.1 50.0 110 111 A K - 0 0 112 1,-0.2 -1,-0.3 185,-0.0 3,-0.1 -0.390 69.2 -75.5 -77.0 158.3 22.8 37.6 49.0 111 112 A P - 0 0 94 0, 0.0 -1,-0.2 0, 0.0 2,-0.0 -0.135 56.3 -87.4 -58.4 148.2 25.4 37.4 46.2 112 113 A D - 0 0 115 1,-0.2 177,-0.0 -3,-0.1 176,-0.0 -0.300 29.6-152.4 -51.9 121.8 24.4 37.9 42.5 113 114 A L - 0 0 13 -3,-0.1 176,-3.3 175,-0.1 177,-0.3 0.608 23.4-142.7 -76.8 -12.8 23.4 34.4 41.2 114 115 A K + 0 0 103 174,-0.2 60,-0.1 1,-0.1 -2,-0.1 0.900 47.7 147.8 59.5 47.6 24.5 35.6 37.7 115 116 A L + 0 0 26 58,-0.3 60,-2.2 1,-0.1 2,-0.5 0.447 48.3 78.1 -96.3 1.8 21.7 33.8 35.9 116 117 A Y S S- 0 0 42 58,-0.3 2,-0.8 41,-0.1 87,-0.1 -0.957 72.7-141.1-117.6 119.9 21.3 36.4 33.2 117 118 A D > - 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