==== 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/HYDROLASE INHIBITOR 09-JUN-06 2H9H . COMPND 2 MOLECULE: HEPATITIS A VIRUS PROTEASE 3C; . SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS A VIRUS; . AUTHOR J.YIN,M.M.CHERNEY,E.M.BERGMANN,M.N.JAMES . 217 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10330.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 77.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 40.1 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 . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 . 24 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 1 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 . 1 1 2 2 2 4 1 0 0 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 1 0 0 1 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 80 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 164.9 11.6 13.2 47.8 2 2 A T H > + 0 0 34 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.920 360.0 53.6 -55.3 -45.7 8.7 11.0 46.8 3 3 A L H > S+ 0 0 115 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.852 107.9 48.5 -64.0 -36.6 6.7 14.1 45.9 4 4 A E H > S+ 0 0 139 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.909 112.5 47.3 -72.9 -40.6 9.3 15.6 43.6 5 5 A I H X S+ 0 0 11 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.931 109.8 56.1 -58.7 -42.6 9.8 12.4 41.7 6 6 A A H X S+ 0 0 6 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.875 104.3 52.8 -58.2 -37.7 5.9 12.2 41.5 7 7 A G H X S+ 0 0 37 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.888 108.9 48.8 -65.5 -39.8 5.9 15.7 39.9 8 8 A L H X S+ 0 0 31 -4,-1.7 4,-0.7 2,-0.2 -2,-0.2 0.878 113.8 46.8 -66.9 -38.4 8.4 14.5 37.2 9 9 A V H >X S+ 0 0 0 -4,-2.3 3,-1.4 2,-0.2 4,-0.9 0.954 109.5 54.4 -63.4 -50.7 6.3 11.4 36.6 10 10 A R H >< S+ 0 0 157 -4,-2.9 3,-0.8 1,-0.3 -2,-0.2 0.862 105.7 52.1 -52.4 -44.1 3.1 13.5 36.4 11 11 A K H 3< S+ 0 0 149 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.722 113.1 45.0 -67.6 -23.6 4.5 15.8 33.8 12 12 A N H << S+ 0 0 6 -3,-1.4 21,-2.9 -4,-0.7 2,-0.4 0.436 89.2 105.0-100.5 -4.3 5.4 12.8 31.6 13 13 A L E << +A 32 0A 18 -4,-0.9 2,-0.3 -3,-0.8 19,-0.2 -0.653 45.9 178.2 -80.6 132.0 2.2 10.8 32.0 14 14 A V E -A 31 0A 1 17,-2.9 17,-2.5 -2,-0.4 2,-0.4 -0.895 32.3-108.8-124.9 158.9 -0.2 10.9 29.0 15 15 A Q E -AB 30 60A 8 45,-2.2 45,-2.4 -2,-0.3 2,-0.5 -0.741 30.9-148.6 -84.8 137.8 -3.5 9.2 28.4 16 16 A F E +AB 29 59A 0 13,-3.2 12,-2.4 -2,-0.4 13,-1.4 -0.929 21.7 172.2-110.9 127.2 -3.4 6.4 25.9 17 17 A G E -AB 27 58A 0 41,-2.6 41,-2.9 -2,-0.5 2,-0.4 -0.910 18.6-150.9-133.4 160.9 -6.4 5.6 23.7 18 18 A V E +AB 26 57A 19 8,-2.3 8,-2.9 -2,-0.3 2,-0.3 -0.985 21.5 160.5-132.2 140.4 -7.3 3.4 20.8 19 19 A G E - B 0 56A 3 37,-2.4 37,-3.6 -2,-0.4 2,-0.2 -0.994 39.8-105.9-153.7 155.7 -9.8 3.9 18.0 20 20 A E E > - B 0 55A 139 4,-0.5 3,-2.5 -2,-0.3 35,-0.1 -0.568 60.7 -82.6 -70.9 148.3 -10.8 2.8 14.6 21 21 A K T 3 S+ 0 0 126 33,-0.5 -1,-0.1 1,-0.3 3,-0.1 -0.307 120.3 9.4 -47.4 132.5 -10.0 5.3 11.8 22 22 A N T 3 S+ 0 0 156 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.528 114.3 106.4 68.3 9.8 -12.9 7.8 11.8 23 23 A G S < S- 0 0 35 -3,-2.5 -1,-0.2 1,-0.1 2,-0.1 -0.533 78.5 -75.4-111.8 177.3 -14.4 6.4 15.1 24 24 A S - 0 0 119 -2,-0.2 -4,-0.5 -3,-0.1 2,-0.4 -0.426 48.0-116.2 -70.6 146.3 -14.6 7.3 18.7 25 25 A V - 0 0 42 -6,-0.2 2,-0.7 -2,-0.1 -6,-0.2 -0.708 15.8-148.4 -83.9 132.4 -11.5 7.0 20.9 26 26 A R E -A 18 0A 144 -8,-2.9 -8,-2.3 -2,-0.4 2,-0.6 -0.921 13.7-146.6 -96.7 110.9 -11.6 4.5 23.8 27 27 A W E +A 17 0A 74 -2,-0.7 -10,-0.3 -10,-0.2 3,-0.1 -0.728 26.9 170.0 -80.2 118.0 -9.4 6.0 26.5 28 28 A V E - 0 0 44 -12,-2.4 2,-0.2 -2,-0.6 144,-0.2 0.881 45.1 -50.8-103.2 -48.9 -7.8 2.9 28.1 29 29 A M E -A 16 0A 6 -13,-1.4 -13,-3.2 142,-0.1 -1,-0.3 -0.849 65.0 -58.4-168.8-164.4 -5.0 3.8 30.6 30 30 A N E -A 15 0A 0 142,-2.6 2,-0.3 -2,-0.2 -15,-0.2 -0.641 30.5-162.0 -97.1 156.9 -1.8 5.9 31.1 31 31 A A E -A 14 0A 0 -17,-2.5 -17,-2.9 -2,-0.2 2,-0.6 -0.966 15.7-138.4-130.8 150.9 1.5 5.8 29.2 32 32 A L E -AC 13 40A 0 8,-2.6 8,-2.7 -2,-0.3 -19,-0.2 -0.932 7.5-140.0-116.0 114.4 4.7 7.3 30.6 33 33 A G E + C 0 39A 0 -21,-2.9 6,-0.3 -2,-0.6 3,-0.1 -0.485 25.7 171.4 -63.2 136.1 7.1 9.3 28.5 34 34 A V E - 0 0 2 4,-2.7 65,-2.4 1,-0.4 66,-0.8 0.692 58.3 -15.8-117.8 -32.8 10.7 8.4 29.4 35 35 A K E > S- C 0 38A 91 3,-1.2 3,-2.9 63,-0.2 -1,-0.4 -0.899 107.7 -23.9-172.2 141.6 13.1 10.0 26.9 36 36 A D B 3 S-G 96 0B 64 60,-0.8 60,-2.5 -2,-0.3 -1,-0.1 -0.233 125.9 -26.4 51.2-129.2 12.8 11.7 23.4 37 37 A D T 3 S+ 0 0 28 58,-0.2 53,-2.7 -3,-0.1 2,-0.4 0.040 110.9 114.5-105.5 27.1 9.7 10.2 21.8 38 38 A W E < -CD 35 89A 22 -3,-2.9 -4,-2.7 51,-0.2 -3,-1.2 -0.804 40.1-179.7-100.9 136.5 9.7 6.9 23.7 39 39 A L E -CD 33 88A 0 49,-2.5 49,-2.7 -2,-0.4 2,-0.4 -0.914 26.4-127.8-126.3 155.7 7.0 5.9 26.2 40 40 A L E +CD 32 87A 0 -8,-2.7 -8,-2.6 -2,-0.3 47,-0.2 -0.886 38.6 163.8 -93.7 133.5 6.4 2.9 28.5 41 41 A V E - D 0 86A 1 45,-2.1 45,-2.3 -2,-0.4 2,-0.4 -0.980 44.5-108.7-149.5 139.0 3.0 1.4 28.0 42 42 A P E > - D 0 85A 0 0, 0.0 3,-1.9 0, 0.0 43,-0.3 -0.562 25.6-148.1 -63.9 119.3 1.3 -1.9 29.0 43 43 A S G >> S+ 0 0 3 41,-2.8 4,-2.8 -2,-0.4 3,-1.9 0.711 90.6 79.0 -67.1 -17.3 0.9 -3.7 25.7 44 44 A H G 34 S+ 0 0 4 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.703 76.9 77.0 -61.3 -16.1 -2.2 -5.4 27.1 45 45 A A G <4 S- 0 0 13 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.781 121.6 -4.8 -56.9 -29.4 -3.9 -2.0 26.3 46 46 A Y T X4 S+ 0 0 9 -3,-1.9 3,-1.4 -4,-0.2 -2,-0.2 0.614 109.3 84.4-138.6 -30.3 -4.0 -3.0 22.6 47 47 A K T 3< S+ 0 0 96 -4,-2.8 5,-0.1 1,-0.3 -3,-0.1 0.647 88.0 55.7 -74.7 -13.6 -2.3 -6.3 21.6 48 48 A F T 3 S+ 0 0 59 -4,-0.3 -1,-0.3 -5,-0.2 2,-0.3 0.431 88.6 89.9 -97.3 3.0 -5.2 -8.7 22.3 49 49 A E S X S- 0 0 53 -3,-1.4 3,-0.8 1,-0.1 2,-0.1 -0.674 90.0 -88.9 -98.2 154.3 -7.8 -7.0 20.1 50 50 A K T 3 S- 0 0 172 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 -0.342 101.9 -3.5 -64.3 135.0 -8.3 -7.9 16.5 51 51 A D T > S+ 0 0 97 1,-0.1 3,-1.6 -4,-0.1 4,-0.3 0.857 71.7 170.5 55.6 47.1 -6.3 -6.0 13.9 52 52 A Y G X S+ 0 0 50 -3,-0.8 3,-2.2 1,-0.3 18,-0.3 0.867 70.3 63.3 -56.6 -36.9 -4.6 -3.7 16.3 53 53 A E G 3 S+ 0 0 111 1,-0.3 18,-0.9 17,-0.1 -1,-0.3 0.693 97.4 55.7 -67.3 -18.3 -2.2 -2.4 13.6 54 54 A M G < S+ 0 0 153 -3,-1.6 -33,-0.5 16,-0.2 -1,-0.3 0.436 94.3 93.7 -91.5 0.5 -5.1 -0.9 11.6 55 55 A M E < S-B 20 0A 44 -3,-2.2 15,-2.7 -4,-0.3 2,-0.4 -0.395 77.6-118.7 -84.9 166.5 -6.2 1.1 14.7 56 56 A E E -BE 19 69A 23 -37,-3.6 -37,-2.4 13,-0.2 2,-0.4 -0.902 22.3-146.1-101.4 134.6 -5.3 4.7 15.5 57 57 A F E -BE 18 68A 0 11,-3.2 11,-2.1 -2,-0.4 2,-0.4 -0.869 14.0-157.2 -99.8 140.2 -3.4 5.2 18.8 58 58 A Y E -BE 17 67A 37 -41,-2.9 -41,-2.6 -2,-0.4 2,-0.5 -0.933 9.4-165.6-122.4 139.5 -4.2 8.4 20.7 59 59 A F E -BE 16 66A 0 7,-3.1 7,-2.4 -2,-0.4 2,-0.7 -0.983 7.0-158.8-126.5 118.7 -2.1 10.3 23.2 60 60 A N E -BE 15 65A 22 -45,-2.4 -45,-2.2 -2,-0.5 2,-0.8 -0.868 8.3-176.1-101.4 110.6 -3.7 12.9 25.3 61 61 A R E > S- E 0 64A 90 3,-3.1 3,-1.2 -2,-0.7 -47,-0.1 -0.839 75.0 -45.2-107.7 90.4 -1.1 15.3 26.8 62 62 A G T 3 S- 0 0 86 -2,-0.8 -1,-0.1 1,-0.3 3,-0.1 0.814 120.7 -39.4 54.1 41.7 -3.1 17.7 29.0 63 63 A G T 3 S+ 0 0 45 1,-0.3 2,-0.5 0, 0.0 -1,-0.3 0.462 116.9 109.3 87.2 2.2 -5.9 18.2 26.5 64 64 A T E < -E 61 0A 76 -3,-1.2 -3,-3.1 2,-0.0 2,-0.3 -0.973 60.9-148.4-106.5 124.1 -3.6 18.4 23.5 65 65 A Y E -E 60 0A 132 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.732 17.4-174.1-101.2 138.2 -4.2 15.2 21.4 66 66 A Y E -E 59 0A 58 -7,-2.4 -7,-3.1 -2,-0.3 2,-0.3 -0.998 10.4-175.8-128.1 132.2 -1.7 13.4 19.3 67 67 A S E +E 58 0A 55 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.898 7.1 169.6-128.5 159.2 -2.7 10.5 17.1 68 68 A I E -E 57 0A 14 -11,-2.1 -11,-3.2 -2,-0.3 2,-0.2 -0.977 42.0 -92.1-160.3 150.0 -0.9 8.0 14.9 69 69 A S E > -E 56 0A 34 -2,-0.3 3,-2.3 -13,-0.2 4,-0.3 -0.493 35.0-127.8 -61.1 135.2 -1.5 4.8 13.0 70 70 A A G > S+ 0 0 1 -15,-2.7 3,-1.1 1,-0.3 -16,-0.2 0.806 109.8 62.7 -55.6 -28.3 -0.6 1.8 15.2 71 71 A G G 3 S+ 0 0 47 -18,-0.9 -1,-0.3 -16,-0.4 -18,-0.1 0.590 98.9 56.1 -73.4 -9.2 1.5 0.6 12.3 72 72 A N G < S+ 0 0 104 -3,-2.3 2,-0.4 -19,-0.1 -1,-0.2 0.336 86.2 89.3-108.3 4.4 3.7 3.7 12.6 73 73 A V S < S- 0 0 13 -3,-1.1 2,-0.6 -4,-0.3 17,-0.2 -0.817 74.0-133.8 -95.0 145.7 4.7 3.3 16.3 74 74 A V E -F 89 0A 80 15,-1.8 15,-2.7 -2,-0.4 2,-0.5 -0.896 18.3-157.7-103.9 117.5 7.9 1.3 17.0 75 75 A I E -F 88 0A 54 -2,-0.6 2,-0.4 13,-0.2 13,-0.2 -0.810 10.7-176.0 -99.6 129.3 7.4 -1.2 19.8 76 76 A Q E -F 87 0A 64 11,-3.1 11,-2.9 -2,-0.5 2,-0.1 -0.988 22.8-122.2-127.6 134.0 10.6 -2.5 21.6 77 77 A S E -F 86 0A 62 -2,-0.4 9,-0.1 9,-0.2 3,-0.1 -0.363 5.8-141.8 -72.6 150.9 10.7 -5.2 24.3 78 78 A L S S- 0 0 4 7,-0.5 2,-0.3 1,-0.2 133,-0.1 0.751 80.2 -26.2 -78.1 -29.4 12.1 -4.5 27.8 79 79 A D S S- 0 0 81 2,-0.3 -1,-0.2 132,-0.0 4,-0.1 -0.924 93.4 -48.9-167.0-179.6 13.6 -8.0 28.0 80 80 A V S S+ 0 0 115 -2,-0.3 -2,-0.0 -3,-0.1 2,-0.0 -0.339 102.3 13.3 -64.6 148.2 13.2 -11.5 26.6 81 81 A G S S- 0 0 61 76,-0.1 2,-0.6 2,-0.0 -2,-0.3 -0.178 111.2 -34.7 81.0-174.0 9.7 -13.0 26.8 82 82 A F + 0 0 63 1,-0.1 76,-0.4 74,-0.1 3,-0.1 -0.748 54.8 160.0 -88.3 120.8 6.4 -11.3 27.5 83 83 A Q - 0 0 10 -2,-0.6 2,-2.5 2,-0.2 -1,-0.1 0.352 39.7-140.2-118.7 3.6 6.7 -8.4 30.0 84 84 A D S S+ 0 0 1 72,-0.1 -41,-2.8 -42,-0.1 2,-0.1 -0.439 80.6 83.6 69.4 -69.5 3.5 -6.6 29.1 85 85 A V E +D 42 0A 1 -2,-2.5 -7,-0.5 -43,-0.3 2,-0.3 -0.430 64.6 179.6 -62.6 131.5 5.0 -3.2 29.5 86 86 A V E -DF 41 77A 14 -45,-2.3 -45,-2.1 -9,-0.1 2,-0.4 -0.860 32.8-110.9-126.4 163.6 6.8 -2.2 26.2 87 87 A L E -DF 40 76A 0 -11,-2.9 -11,-3.1 -2,-0.3 2,-0.4 -0.828 36.1-166.8 -90.9 134.0 8.8 0.7 25.0 88 88 A M E -DF 39 75A 0 -49,-2.7 -49,-2.5 -2,-0.4 2,-0.5 -0.985 12.7-151.4-131.2 121.6 6.9 2.6 22.2 89 89 A K E -DF 38 74A 66 -15,-2.7 -15,-1.8 -2,-0.4 -51,-0.2 -0.829 13.1-172.7 -92.4 125.2 8.4 5.2 19.9 90 90 A V > - 0 0 0 -53,-2.7 3,-2.0 -2,-0.5 -17,-0.1 -0.895 9.6-164.4-123.0 96.3 5.7 7.7 18.8 91 91 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 -18,-0.1 0.747 86.4 54.4 -56.6 -24.7 7.1 10.1 16.1 92 92 A T T 3 S+ 0 0 68 -55,-0.1 -25,-0.1 2,-0.1 -24,-0.0 0.509 86.2 99.8 -88.5 -4.9 4.2 12.6 16.5 93 93 A I S < S- 0 0 11 -3,-2.0 2,-0.1 -56,-0.2 3,-0.1 -0.550 81.6-108.8 -82.9 142.5 4.6 13.1 20.3 94 94 A P - 0 0 42 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.480 51.0 -87.1 -64.9 145.8 6.4 16.2 21.6 95 95 A K - 0 0 154 -2,-0.1 2,-0.3 1,-0.1 -58,-0.2 -0.181 46.2-134.7 -52.2 140.0 9.8 15.2 23.1 96 96 A F B -G 36 0B 10 -60,-2.5 -60,-0.8 -3,-0.1 2,-0.2 -0.709 22.1 -99.1 -94.9 152.0 9.7 14.2 26.8 97 97 A R - 0 0 130 -2,-0.3 2,-0.7 -62,-0.1 -1,-0.1 -0.509 49.5-109.0 -57.8 131.3 12.0 15.2 29.7 98 98 A D + 0 0 60 -2,-0.2 -63,-0.2 1,-0.2 3,-0.1 -0.613 50.0 163.4 -69.4 109.2 14.5 12.4 30.0 99 99 A I > + 0 0 0 -65,-2.4 3,-1.7 -2,-0.7 4,-0.2 0.222 40.8 108.8-110.2 11.0 13.5 10.7 33.3 100 100 A T G > S+ 0 0 7 -66,-0.8 3,-1.6 1,-0.3 -1,-0.1 0.825 71.4 60.8 -57.5 -34.9 15.4 7.4 32.7 101 101 A Q G 3 S+ 0 0 101 118,-0.3 -1,-0.3 1,-0.3 4,-0.1 0.560 95.7 63.6 -71.9 -7.4 18.1 8.2 35.3 102 102 A H G < S+ 0 0 30 -3,-1.7 85,-3.1 117,-0.1 -1,-0.3 0.432 83.1 98.5 -93.6 -2.3 15.3 8.3 38.0 103 103 A F B < S-h 187 0C 2 -3,-1.6 85,-0.2 83,-0.2 103,-0.1 -0.559 86.6 -95.2 -83.6 151.8 14.5 4.6 37.4 104 104 A I - 0 0 3 83,-2.8 102,-2.3 100,-0.5 2,-0.3 -0.346 33.6-123.2 -64.5 139.3 16.0 2.0 39.8 105 105 A K > - 0 0 104 100,-0.2 3,-1.7 101,-0.1 4,-0.5 -0.663 23.3-118.7 -76.0 144.0 19.2 0.2 38.8 106 106 A K G > S+ 0 0 94 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.886 114.4 54.9 -48.9 -47.1 18.9 -3.6 38.7 107 107 A G G 3 S+ 0 0 64 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.702 104.6 54.7 -61.4 -23.1 21.5 -3.9 41.5 108 108 A D G X S+ 0 0 52 -3,-1.7 3,-1.6 1,-0.2 4,-0.4 0.442 74.4 104.3 -93.1 -1.8 19.5 -1.6 43.8 109 109 A V G X> S+ 0 0 16 -3,-1.5 3,-1.9 -4,-0.5 4,-0.7 0.876 74.0 58.9 -46.6 -47.4 16.3 -3.6 43.7 110 110 A P G >4 S+ 0 0 84 0, 0.0 3,-0.6 0, 0.0 -1,-0.3 0.792 94.8 67.0 -56.6 -27.0 16.7 -5.1 47.2 111 111 A R G <4 S+ 0 0 108 -3,-1.6 -2,-0.2 1,-0.2 71,-0.1 0.673 99.7 49.2 -69.3 -17.1 16.8 -1.6 48.6 112 112 A A G X4 S+ 0 0 0 -3,-1.9 3,-1.1 -4,-0.4 23,-0.4 0.622 88.6 105.1 -93.7 -15.7 13.1 -1.0 47.7 113 113 A L T << S+ 0 0 46 -4,-0.7 23,-0.2 -3,-0.6 3,-0.1 -0.336 82.9 15.7 -65.7 147.1 11.8 -4.2 49.2 114 114 A N T 3 S+ 0 0 96 21,-3.2 2,-0.3 1,-0.2 -1,-0.2 0.622 107.0 103.4 68.2 14.6 10.0 -4.2 52.6 115 115 A R S < S- 0 0 123 -3,-1.1 20,-2.1 18,-0.2 -1,-0.2 -0.902 76.3 -97.7-126.7 156.4 9.4 -0.4 52.3 116 116 A L - 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