==== 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 23-OCT-96 1HAV . COMPND 2 MOLECULE: HEPATITIS A VIRUS 3C PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS A VIRUS; . AUTHOR E.M.BERGMANN,M.N.G.JAMES . 430 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21200.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 299 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 162 37.7 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 . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 2.1 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 . 1 0.2 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 . 32 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 0 5 3 9 2 3 0 1 1 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 2 2 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 S >> 0 0 74 0, 0.0 4,-1.5 0, 0.0 3,-1.5 0.000 360.0 360.0 360.0 143.0 9.9 -16.7 -8.2 2 2 A T H 3> + 0 0 33 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.865 360.0 51.8 -46.4 -40.6 10.0 -13.7 -5.8 3 3 A L H 3> S+ 0 0 117 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.775 103.7 57.2 -73.3 -23.5 11.7 -11.6 -8.5 4 4 A E H <> S+ 0 0 125 -3,-1.5 4,-0.9 2,-0.2 3,-0.3 0.979 113.7 36.5 -67.8 -58.3 9.0 -12.5 -11.1 5 5 A I H X S+ 0 0 7 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.777 112.2 62.6 -63.9 -29.2 6.1 -11.1 -9.1 6 6 A A H X S+ 0 0 9 -4,-1.7 4,-2.8 -5,-0.3 -1,-0.2 0.888 101.6 51.6 -65.0 -37.4 8.3 -8.3 -7.8 7 7 A G H X S+ 0 0 34 -4,-1.4 4,-1.4 -3,-0.3 -1,-0.2 0.807 107.6 51.6 -70.0 -30.2 8.7 -7.1 -11.4 8 8 A L H X S+ 0 0 44 -4,-0.9 4,-0.6 2,-0.2 -1,-0.2 0.906 112.1 46.7 -69.7 -43.8 4.9 -7.1 -11.9 9 9 A V H >X S+ 0 0 0 -4,-2.0 3,-1.8 1,-0.2 4,-1.0 0.945 107.8 56.9 -60.3 -50.1 4.5 -5.0 -8.8 10 10 A R H >< S+ 0 0 132 -4,-2.8 3,-0.7 1,-0.3 -1,-0.2 0.861 102.3 55.4 -53.3 -39.9 7.3 -2.6 -9.8 11 11 A K H 3< S+ 0 0 141 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.710 113.8 40.5 -65.7 -24.3 5.5 -1.8 -13.0 12 12 A N H << S+ 0 0 3 -3,-1.8 21,-2.6 -4,-0.6 2,-0.4 0.421 90.4 105.4-104.4 -5.8 2.3 -0.8 -11.2 13 13 A L E << +A 32 0A 20 -4,-1.0 2,-0.3 -3,-0.7 19,-0.2 -0.639 47.1 179.6 -81.8 127.3 4.0 1.1 -8.2 14 14 A V E -A 31 0A 3 17,-2.6 17,-2.1 -2,-0.4 2,-0.3 -0.916 32.5-108.1-127.0 158.8 3.7 4.9 -8.3 15 15 A Q E -AB 30 60A 34 45,-1.5 45,-1.7 -2,-0.3 2,-0.4 -0.679 35.4-150.4 -82.0 136.3 4.9 7.8 -6.1 16 16 A F E +AB 29 59A 0 13,-3.1 12,-2.1 -2,-0.3 13,-1.4 -0.944 19.9 171.7-114.5 132.5 2.0 9.5 -4.4 17 17 A G E -AB 27 58A 0 41,-2.7 41,-3.4 -2,-0.4 2,-0.3 -0.931 16.8-146.9-137.8 161.8 1.9 13.1 -3.4 18 18 A V E +AB 26 57A 0 8,-2.5 8,-2.4 -2,-0.3 2,-0.3 -0.932 33.4 104.3-131.0 151.8 -0.5 15.7 -2.0 19 19 A G E -AB 25 56A 5 37,-2.1 37,-2.9 -2,-0.3 2,-0.3 -0.968 57.4 -57.8 175.3-160.2 -1.0 19.5 -2.4 20 20 A E > - 0 0 115 4,-1.2 3,-2.3 -2,-0.3 35,-0.1 -0.897 58.1 -93.8-114.7 145.2 -3.0 22.5 -3.8 21 21 A K T 3 S+ 0 0 137 -2,-0.3 3,-0.1 33,-0.3 4,-0.0 -0.370 112.1 2.0 -61.0 128.6 -3.6 23.2 -7.5 22 22 A N T 3 S+ 0 0 163 1,-0.2 -1,-0.3 -2,-0.1 2,-0.1 0.531 124.1 86.1 70.2 10.4 -0.8 25.5 -8.8 23 23 A G S < S- 0 0 33 -3,-2.3 -1,-0.2 1,-0.2 2,-0.1 -0.174 86.2 -36.5-118.3-152.4 0.8 25.4 -5.4 24 24 A S - 0 0 72 -3,-0.1 -4,-1.2 -2,-0.1 2,-0.4 -0.402 48.5-154.1 -77.2 152.1 3.3 23.4 -3.3 25 25 A V E -A 19 0A 58 -6,-0.2 2,-0.5 -2,-0.1 -6,-0.2 -0.975 5.4-161.3-128.0 135.3 3.5 19.6 -3.5 26 26 A R E -A 18 0A 91 -8,-2.4 -8,-2.5 -2,-0.4 2,-0.6 -0.993 13.6-146.1-118.2 118.3 4.7 17.2 -0.8 27 27 A W E +A 17 0A 93 -2,-0.5 -10,-0.3 -10,-0.2 3,-0.1 -0.808 27.2 170.5 -81.2 129.5 5.7 13.7 -2.1 28 28 A V E - 0 0 45 -12,-2.1 2,-0.2 -2,-0.6 144,-0.2 0.846 44.1 -47.6-110.8 -49.0 4.7 11.4 0.8 29 29 A M E -A 16 0A 17 -13,-1.4 -13,-3.1 142,-0.1 -1,-0.3 -0.792 66.3 -61.2-162.5-153.8 4.9 7.7 -0.0 30 30 A N E -A 15 0A 3 142,-2.4 2,-0.3 -15,-0.2 -15,-0.2 -0.691 28.9-162.2-111.7 162.4 3.9 5.1 -2.6 31 31 A A E -A 14 0A 0 -17,-2.1 -17,-2.6 -2,-0.2 2,-0.5 -0.982 18.7-133.6-141.4 139.7 0.5 3.8 -4.0 32 32 A L E -AC 13 40A 0 8,-2.1 8,-3.0 -2,-0.3 2,-0.3 -0.874 8.4-140.3-106.9 124.2 -0.0 0.6 -5.9 33 33 A G E + C 0 39A 0 -21,-2.6 6,-0.3 -2,-0.5 -21,-0.1 -0.603 24.9 171.5 -75.6 135.7 -2.0 0.3 -9.2 34 34 A V E - 0 0 0 4,-2.9 65,-2.3 1,-0.3 66,-0.6 0.701 56.0 -10.9-118.0 -32.4 -4.1 -2.9 -9.3 35 35 A K E > S- C 0 38A 31 3,-1.3 3,-2.8 63,-0.2 -1,-0.3 -0.858 104.9 -32.3-171.8 140.5 -6.5 -2.8 -12.3 36 36 A D B 3 S-G 96 0B 73 60,-1.5 60,-3.1 1,-0.3 -1,-0.1 -0.307 127.5 -21.7 47.1-115.1 -7.7 -0.4 -15.0 37 37 A D T 3 S+ 0 0 28 58,-0.2 53,-2.8 -3,-0.1 2,-0.4 0.024 110.7 112.8-111.8 27.7 -7.7 3.0 -13.2 38 38 A W E < -CD 35 89A 17 -3,-2.8 -4,-2.9 51,-0.2 -3,-1.3 -0.871 39.6-179.6-105.0 134.5 -7.9 1.7 -9.6 39 39 A L E -CD 33 88A 0 49,-2.9 49,-3.1 -2,-0.4 2,-0.5 -0.900 26.7-125.9-130.0 158.9 -5.1 2.0 -7.0 40 40 A L E +CD 32 87A 1 -8,-3.0 -8,-2.1 -2,-0.3 47,-0.2 -0.874 33.5 179.0-102.6 129.0 -4.5 0.9 -3.3 41 41 A V E - D 0 86A 0 45,-2.9 45,-2.7 -2,-0.5 2,-0.4 -0.993 30.7-122.9-136.3 131.1 -3.5 3.9 -1.0 42 42 A P E > - D 0 85A 0 0, 0.0 3,-1.8 0, 0.0 43,-0.3 -0.619 26.0-135.5 -72.7 129.6 -2.7 4.0 2.8 43 43 A S G >> S+ 0 0 2 41,-2.1 4,-2.4 -2,-0.4 3,-2.0 0.750 95.7 70.4 -60.7 -28.6 -5.0 6.6 4.4 44 44 A H G 34 S+ 0 0 15 40,-0.5 4,-0.4 1,-0.3 -1,-0.3 0.545 81.0 79.5 -68.0 -2.1 -2.5 8.4 6.6 45 45 A A G <4 S+ 0 0 6 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.806 119.1 5.1 -71.9 -28.1 -1.1 9.8 3.3 46 46 A Y T X4 S+ 0 0 16 -3,-2.0 3,-1.6 -4,-0.2 -2,-0.2 0.544 105.7 92.9-130.6 -15.1 -3.9 12.3 3.3 47 47 A K T 3< S+ 0 0 53 -4,-2.4 -3,-0.1 1,-0.3 5,-0.1 0.860 89.5 46.2 -51.9 -43.0 -5.9 11.9 6.6 48 48 A F T 3 S+ 0 0 74 -4,-0.4 -1,-0.3 3,-0.1 2,-0.2 0.165 81.1 120.9 -92.6 19.0 -4.0 14.5 8.6 49 49 A E < - 0 0 40 -3,-1.6 3,-0.3 1,-0.1 -3,-0.1 -0.592 68.0-125.6 -78.4 148.8 -4.0 17.3 6.0 50 50 A K S S+ 0 0 147 -2,-0.2 2,-0.2 1,-0.2 -1,-0.1 0.702 91.8 27.6 -68.2 -23.8 -5.7 20.5 7.1 51 51 A D > + 0 0 85 1,-0.1 3,-0.8 2,-0.0 -1,-0.2 -0.601 51.2 175.6-150.1 92.3 -8.2 20.9 4.2 52 52 A Y G > S+ 0 0 123 -3,-0.3 3,-1.0 1,-0.2 18,-0.1 0.686 78.9 68.5 -63.9 -29.9 -9.6 18.0 2.2 53 53 A E G 3 S+ 0 0 159 1,-0.2 -1,-0.2 17,-0.1 18,-0.2 0.894 109.7 32.5 -59.9 -41.9 -11.9 20.2 0.1 54 54 A M G < S+ 0 0 129 -3,-0.8 -33,-0.3 16,-0.1 2,-0.3 0.010 92.1 129.4-106.2 29.3 -9.1 21.9 -1.8 55 55 A M < - 0 0 10 -3,-1.0 15,-2.2 -35,-0.1 2,-0.4 -0.622 38.6-164.9 -87.1 137.7 -6.7 18.9 -1.8 56 56 A E E -BE 19 69A 15 -37,-2.9 -37,-2.1 -2,-0.3 2,-0.4 -0.968 11.7-140.6-121.6 138.3 -5.1 17.8 -5.1 57 57 A F E -BE 18 68A 3 11,-3.0 11,-1.8 -2,-0.4 2,-0.4 -0.839 13.8-157.2-100.5 141.7 -3.5 14.4 -5.5 58 58 A Y E -BE 17 67A 34 -41,-3.4 -41,-2.7 -2,-0.4 2,-0.4 -0.952 7.0-170.4-122.7 135.0 -0.3 13.9 -7.5 59 59 A F E -BE 16 66A 0 7,-2.4 7,-2.3 -2,-0.4 2,-0.6 -0.968 12.5-157.4-126.6 142.7 1.1 10.7 -9.1 60 60 A N E -BE 15 65A 24 -45,-1.7 -45,-1.5 -2,-0.4 2,-0.9 -0.930 11.9-176.7-119.3 102.7 4.5 10.0 -10.7 61 61 A R S S- 0 0 61 3,-2.6 3,-0.4 -2,-0.6 -47,-0.1 -0.727 73.9 -45.5-104.0 81.5 4.2 7.1 -13.2 62 62 A G S S- 0 0 82 -2,-0.9 -1,-0.2 1,-0.2 3,-0.1 0.944 123.1 -35.0 61.6 48.9 7.7 6.5 -14.4 63 63 A G S S+ 0 0 56 1,-0.2 2,-0.5 0, 0.0 -1,-0.2 0.438 115.7 104.6 90.3 -5.2 8.5 10.1 -15.0 64 64 A T - 0 0 71 -3,-0.4 -3,-2.6 2,-0.0 2,-0.4 -0.954 61.0-142.3-112.5 134.1 5.1 11.4 -16.2 65 65 A Y E +E 60 0A 155 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.823 20.6 177.3-100.3 130.2 3.1 13.4 -13.7 66 66 A Y E -E 59 0A 69 -7,-2.3 -7,-2.4 -2,-0.4 2,-0.3 -0.867 5.4-171.5-124.3 156.3 -0.7 13.1 -13.4 67 67 A S E -E 58 0A 49 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.992 6.9-178.1-148.2 156.1 -3.0 14.9 -11.0 68 68 A I E -E 57 0A 12 -11,-1.8 -11,-3.0 -2,-0.3 2,-0.3 -0.991 33.1-105.0-153.4 148.3 -6.6 14.9 -9.9 69 69 A S E > -E 56 0A 41 -2,-0.3 3,-2.6 -13,-0.2 -13,-0.2 -0.596 25.8-129.5 -76.2 136.0 -8.8 16.7 -7.5 70 70 A A G > S+ 0 0 23 -15,-2.2 3,-0.7 1,-0.3 -1,-0.1 0.740 110.3 63.3 -56.6 -21.3 -9.7 14.9 -4.3 71 71 A G G 3 S+ 0 0 68 -16,-0.4 -1,-0.3 1,-0.2 -15,-0.1 0.378 102.2 50.9 -84.6 6.6 -13.3 15.8 -5.1 72 72 A N G < S+ 0 0 112 -3,-2.6 2,-0.3 2,-0.0 -1,-0.2 0.265 88.7 90.1-125.4 7.6 -13.1 13.7 -8.3 73 73 A V < - 0 0 22 -3,-0.7 2,-0.5 -4,-0.2 17,-0.2 -0.697 69.6-131.6-102.2 156.5 -11.8 10.4 -7.1 74 74 A V E -F 89 0A 76 15,-1.2 15,-2.7 -2,-0.3 2,-0.4 -0.949 23.2-158.5-107.2 131.9 -13.9 7.5 -6.0 75 75 A I E -F 88 0A 70 -2,-0.5 2,-0.4 13,-0.2 13,-0.2 -0.886 9.5-174.5-110.7 145.8 -12.9 6.0 -2.7 76 76 A Q E -F 87 0A 46 11,-2.5 11,-2.8 -2,-0.4 2,-0.1 -0.989 19.1-134.8-142.8 127.4 -13.8 2.5 -1.5 77 77 A S E -F 86 0A 49 -2,-0.4 9,-0.1 9,-0.2 3,-0.1 -0.442 6.5-145.5 -77.2 152.1 -13.0 1.0 1.9 78 78 A L S S- 0 0 22 7,-0.6 2,-0.2 1,-0.3 -1,-0.1 0.844 80.2 -8.3 -81.6 -40.9 -11.6 -2.6 2.0 79 79 A D S S- 0 0 41 3,-0.1 -1,-0.3 2,-0.1 2,-0.1 -0.822 85.5 -80.5-143.9 179.2 -13.5 -3.4 5.2 80 80 A V S S+ 0 0 136 -2,-0.2 2,-0.2 -3,-0.1 -2,-0.0 -0.422 86.2 39.2 -83.9 153.5 -15.6 -1.8 7.9 81 81 A G S S+ 0 0 58 -2,-0.1 -2,-0.1 2,-0.0 3,-0.0 -0.643 99.4 14.1 106.4-163.1 -13.9 0.2 10.8 82 82 A F S S- 0 0 157 -2,-0.2 2,-0.7 1,-0.1 76,-0.2 -0.244 78.1-115.9 -52.6 129.3 -10.9 2.6 11.0 83 83 A Q + 0 0 75 1,-0.2 3,-0.1 74,-0.1 -1,-0.1 -0.625 56.2 146.0 -72.4 113.8 -9.8 3.7 7.6 84 84 A D + 0 0 7 -2,-0.7 -41,-2.1 1,-0.5 -40,-0.5 0.729 68.2 6.7-113.8 -49.0 -6.3 2.3 7.1 85 85 A V E S-D 42 0A 0 -43,-0.3 -7,-0.6 -42,-0.1 -1,-0.5 -0.983 72.8-171.7-138.1 137.5 -5.8 1.5 3.4 86 86 A V E -DF 41 77A 0 -45,-2.7 -45,-2.9 -2,-0.3 2,-0.5 -0.891 26.0-117.9-131.3 163.9 -8.4 2.3 0.7 87 87 A L E -DF 40 76A 0 -11,-2.8 -11,-2.5 -2,-0.3 2,-0.4 -0.898 33.3-167.6-101.2 128.9 -9.1 1.7 -3.0 88 88 A M E -DF 39 75A 0 -49,-3.1 -49,-2.9 -2,-0.5 2,-0.6 -0.988 12.5-147.7-127.5 126.1 -9.0 4.9 -5.1 89 89 A K E -DF 38 74A 61 -15,-2.7 -15,-1.2 -2,-0.4 -51,-0.2 -0.831 13.5-174.1 -95.8 120.6 -10.2 5.3 -8.7 90 90 A V > - 0 0 0 -53,-2.8 3,-1.6 -2,-0.6 -17,-0.1 -0.864 7.4-170.7-117.5 98.6 -8.3 7.9 -10.8 91 91 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -18,-0.1 0.857 82.5 56.0 -59.0 -34.0 -9.9 8.4 -14.2 92 92 A T T 3 S+ 0 0 79 -55,-0.1 -25,-0.1 -25,-0.1 -55,-0.0 0.306 87.6 94.0 -83.5 9.2 -7.0 10.6 -15.6 93 93 A I S < S- 0 0 10 -3,-1.6 3,-0.1 -56,-0.1 2,-0.0 -0.764 86.5-100.4 -99.4 145.6 -4.3 8.0 -15.0 94 94 A P - 0 0 49 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 -0.358 53.3 -81.2 -61.2 150.2 -3.3 5.5 -17.8 95 95 A K - 0 0 179 1,-0.1 2,-0.3 -58,-0.1 -58,-0.2 -0.224 45.1-139.0 -56.6 130.7 -4.8 1.9 -17.6 96 96 A F B -G 36 0B 8 -60,-3.1 -60,-1.5 -3,-0.1 2,-0.2 -0.646 21.3-106.3 -93.7 148.0 -3.0 -0.4 -15.2 97 97 A R - 0 0 165 -2,-0.3 2,-0.5 -62,-0.2 -1,-0.1 -0.503 42.8-106.2 -70.3 136.9 -2.3 -4.1 -16.0 98 98 A D + 0 0 69 -2,-0.2 -63,-0.2 1,-0.2 -1,-0.1 -0.572 52.0 156.9 -68.8 114.9 -4.7 -6.4 -14.0 99 99 A I > + 0 0 2 -65,-2.3 3,-2.1 -2,-0.5 4,-0.3 0.203 38.5 112.7-120.5 11.8 -2.7 -8.0 -11.2 100 100 A T G > S+ 0 0 10 -66,-0.6 3,-1.8 1,-0.3 -65,-0.1 0.892 70.3 60.8 -52.1 -42.2 -5.7 -8.7 -9.1 101 101 A Q G 3 S+ 0 0 133 1,-0.3 -1,-0.3 85,-0.0 4,-0.1 0.319 95.0 65.9 -72.0 13.0 -5.3 -12.5 -9.6 102 102 A H G < S+ 0 0 68 -3,-2.1 85,-2.3 2,-0.1 -1,-0.3 0.442 80.5 93.4-109.3 -10.1 -1.8 -12.3 -7.9 103 103 A F B < S-h 187 0C 4 -3,-1.8 85,-0.2 -4,-0.3 102,-0.1 -0.502 89.7 -89.0 -80.0 160.5 -3.0 -11.3 -4.5 104 104 A I - 0 0 2 83,-2.3 102,-2.1 100,-0.5 2,-0.3 -0.388 37.9-122.4 -72.2 140.9 -3.7 -14.0 -1.9 105 105 A K > - 0 0 95 100,-0.2 3,-1.4 101,-0.1 4,-0.5 -0.650 24.6-114.5 -82.6 144.2 -7.1 -15.6 -1.6 106 106 A K G > S+ 0 0 123 -2,-0.3 3,-0.8 1,-0.3 -1,-0.1 0.833 116.6 50.0 -46.9 -39.8 -8.9 -15.3 1.7 107 107 A G G 3 S+ 0 0 61 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.789 101.3 61.5 -73.4 -27.0 -8.8 -19.1 2.2 108 108 A D G X S+ 0 0 48 -3,-1.4 3,-1.1 1,-0.2 -1,-0.2 0.477 73.5 104.9 -81.3 2.5 -5.0 -19.4 1.4 109 109 A V G X> S+ 0 0 20 -3,-0.8 3,-1.6 -4,-0.5 4,-1.0 0.797 72.0 53.9 -53.4 -42.9 -4.0 -17.2 4.4 110 110 A P G 34 S+ 0 0 89 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.810 99.1 65.1 -67.6 -22.5 -2.7 -19.8 6.8 111 111 A R G <4 S+ 0 0 129 -3,-1.1 -2,-0.2 1,-0.2 72,-0.1 0.419 106.7 42.6 -76.8 -1.5 -0.4 -21.1 4.1 112 112 A A T X4 S+ 0 0 1 -3,-1.6 3,-1.3 -4,-0.1 23,-0.3 0.526 91.5 104.3-113.6 -20.9 1.5 -17.8 4.2 113 113 A L T 3< S+ 0 0 64 -4,-1.0 23,-0.2 1,-0.2 3,-0.1 -0.413 84.0 18.9 -66.5 133.4 1.4 -17.5 8.0 114 114 A N T 3 S+ 0 0 93 21,-2.7 -1,-0.2 1,-0.3 2,-0.1 0.210 103.9 103.6 90.3 -8.0 4.8 -18.3 9.7 115 115 A R S < S- 0 0 138 -3,-1.3 20,-3.2 19,-0.2 -1,-0.3 -0.419 73.6 -92.7-104.2 173.9 7.0 -17.8 6.6 116 116 A L - 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