==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-DEC-10 3Q46 . COMPND 2 MOLECULE: TT-IPPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOCOCCUS THIOREDUCENS; . AUTHOR R.C.HUGHES,L.COATES,E.J.MEEHAN,J.D.NG . 176 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8926.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 23.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 12 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 18.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 0 206 0, 0.0 6,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.1 44.6 28.9 14.0 2 2 A N >> - 0 0 38 1,-0.1 4,-2.7 4,-0.1 5,-0.6 -0.333 360.0-150.5 -63.7 125.1 43.6 25.4 12.7 3 3 A P T 45S+ 0 0 25 0, 0.0 -1,-0.1 0, 0.0 17,-0.0 0.450 94.4 45.3 -85.2 5.5 41.2 25.9 9.8 4 4 A F T 45S+ 0 0 3 56,-0.1 57,-2.2 31,-0.1 58,-0.1 0.676 127.6 23.8-108.7 -41.7 39.5 22.6 10.6 5 5 A H T 45S+ 0 0 45 55,-0.1 -3,-0.0 56,-0.1 0, 0.0 0.764 128.9 43.4 -89.5 -28.8 39.2 22.9 14.4 6 6 A E T <5S+ 0 0 37 -4,-2.7 2,-0.3 2,-0.1 -4,-0.1 0.812 96.2 76.2-103.3 -17.3 39.3 26.6 14.7 7 7 A L S > S-A 16 0A 121 4,-1.8 4,-1.9 -3,-0.1 3,-1.0 -0.409 102.4-128.9-147.2 62.8 24.8 31.2 8.5 13 13 A V T 34 S+ 0 0 53 -3,-0.4 4,-0.1 1,-0.3 -3,-0.1 -0.348 78.5 3.7 -63.8 139.1 24.7 27.4 8.7 14 14 A P T 34 S+ 0 0 15 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.970 130.4 51.7 -97.2 3.4 23.5 25.5 6.7 15 15 A E T <4 S+ 0 0 91 -3,-1.0 2,-0.4 1,-0.3 -2,-0.2 0.801 123.7 24.3 -71.0 -29.8 22.5 28.1 4.1 16 16 A V B < S+A 12 0A 27 -4,-1.9 -4,-1.8 73,-0.2 2,-0.3 -0.984 78.4 172.3-134.6 122.4 26.0 29.6 4.0 17 17 A V - 0 0 1 71,-2.6 2,-0.5 -2,-0.4 -7,-0.3 -0.803 34.0-108.6-118.6 165.1 29.0 27.6 5.0 18 18 A Y - 0 0 75 -9,-2.7 2,-0.6 -2,-0.3 67,-0.1 -0.834 25.9-159.2 -89.0 131.1 32.7 28.0 4.9 19 19 A A - 0 0 0 67,-2.7 67,-2.6 -2,-0.5 2,-0.8 -0.966 2.6-158.3-103.9 123.5 34.5 25.9 2.4 20 20 A L E -BC 58 85B 2 38,-3.1 38,-2.2 -2,-0.6 2,-0.3 -0.906 23.4-139.3 -97.9 107.6 38.2 25.4 3.2 21 21 A I E +B 57 0B 0 63,-2.6 62,-3.6 -2,-0.8 63,-0.4 -0.522 33.2 168.3 -77.3 133.9 39.7 24.5 -0.2 22 22 A E E S+ 0 0 8 34,-2.8 35,-0.2 -2,-0.3 -1,-0.2 0.704 71.0 37.2-101.7 -39.5 42.3 21.8 -0.4 23 23 A I E S-B 56 0B 0 33,-2.7 33,-2.7 58,-0.1 -1,-0.3 -0.958 74.0-140.8-126.2 113.6 42.4 21.2 -4.2 24 24 A P > - 0 0 21 0, 0.0 3,-1.7 0, 0.0 28,-0.2 -0.467 40.9 -93.4 -66.8 144.3 42.1 23.9 -6.8 25 25 A K T 3 S+ 0 0 91 1,-0.2 30,-0.1 -2,-0.1 3,-0.1 -0.276 114.3 38.8 -54.9 140.9 40.1 22.9 -9.9 26 26 A G T 3 S+ 0 0 44 26,-2.5 2,-0.3 1,-0.3 -1,-0.2 0.292 87.3 127.4 98.0 -6.0 42.4 21.6 -12.6 27 27 A S < - 0 0 25 -3,-1.7 25,-2.5 25,-0.2 -1,-0.3 -0.640 41.8-171.3 -85.7 142.4 44.7 19.8 -10.2 28 28 A R + 0 0 101 -2,-0.3 18,-2.3 23,-0.2 2,-0.5 0.531 67.8 92.9 -96.0 -19.1 45.7 16.1 -10.5 29 29 A N E S-I 45 0C 55 16,-0.2 2,-1.2 1,-0.1 16,-0.2 -0.684 73.9-141.4 -77.4 126.0 47.4 16.2 -7.1 30 30 A K E -I 44 0C 12 14,-2.8 13,-2.5 -2,-0.5 14,-1.3 -0.758 26.6-175.0 -91.2 88.0 45.0 15.1 -4.3 31 31 A Y E -I 42 0C 60 -2,-1.2 2,-0.3 11,-0.2 11,-0.2 -0.660 2.6-174.9 -79.3 148.1 45.9 17.4 -1.4 32 32 A E E -I 41 0C 52 9,-2.6 9,-2.5 -2,-0.3 2,-0.8 -0.990 32.9-107.2-139.0 153.3 44.3 17.1 2.0 33 33 A L E -I 40 0C 8 -2,-0.3 7,-0.2 7,-0.2 6,-0.1 -0.628 39.5-128.7 -75.3 106.3 44.4 19.0 5.2 34 34 A D > - 0 0 40 5,-2.1 4,-1.5 -2,-0.8 -1,-0.0 -0.316 9.1-148.7 -55.7 133.4 46.5 17.0 7.6 35 35 A K T 4 S+ 0 0 86 2,-0.2 -1,-0.2 1,-0.2 -31,-0.1 0.872 91.7 60.0 -72.8 -36.3 44.6 16.5 10.8 36 36 A A T 4 S+ 0 0 87 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.940 124.7 5.2 -53.8 -57.0 47.8 16.4 12.9 37 37 A T T 4 S- 0 0 84 2,-0.2 -1,-0.2 -35,-0.0 -2,-0.2 0.441 86.1-113.6-112.0 -20.0 49.1 19.8 12.0 38 38 A G S < S+ 0 0 14 -4,-1.5 2,-0.2 1,-0.3 -3,-0.1 0.441 74.0 123.3 97.2 -12.3 47.0 22.1 9.9 39 39 A L - 0 0 117 1,-0.1 -5,-2.1 -6,-0.1 2,-0.3 -0.527 69.5-101.0 -87.3 158.5 49.3 22.0 6.9 40 40 A L E -I 33 0C 54 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.607 42.9-169.8 -71.6 139.3 48.5 20.9 3.3 41 41 A K E -I 32 0C 125 -9,-2.5 -9,-2.6 -2,-0.3 2,-0.9 -0.964 28.0-118.6-131.0 143.8 49.7 17.4 2.5 42 42 A L E -I 31 0C 85 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.740 27.4-177.6 -75.5 110.6 49.9 15.4 -0.7 43 43 A D E - 0 0 73 -13,-2.5 2,-0.3 -2,-0.9 -1,-0.2 0.952 63.3 -47.8 -74.5 -51.4 47.5 12.4 -0.1 44 44 A R E -I 30 0C 35 -14,-1.3 -14,-2.8 -3,-0.2 2,-0.5 -0.969 50.7-102.4-166.9 170.6 48.4 11.0 -3.5 45 45 A V E -I 29 0C 64 -2,-0.3 -16,-0.2 -16,-0.2 -17,-0.0 -0.938 51.6-103.5 -93.5 130.3 48.7 11.8 -7.2 46 46 A L - 0 0 1 -18,-2.3 95,-0.1 -2,-0.5 -18,-0.0 -0.300 23.1-135.6 -57.2 147.1 45.7 10.6 -9.2 47 47 A Y S S+ 0 0 128 93,-0.5 -1,-0.2 2,-0.1 94,-0.1 0.573 85.6 52.2 -87.3 -5.7 46.5 7.4 -11.0 48 48 A S S S- 0 0 10 92,-0.3 2,-2.4 -20,-0.1 -2,-0.0 -0.858 99.0 -99.2-125.0 159.0 44.8 8.7 -14.2 49 49 A P S S+ 0 0 109 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.411 79.2 127.0 -84.4 66.6 45.2 11.9 -16.2 50 50 A F - 0 0 73 -2,-2.4 2,-0.4 90,-0.1 -4,-0.1 -0.859 45.2-150.3-117.7 155.0 42.1 13.4 -14.6 51 51 A F - 0 0 97 -2,-0.3 -23,-0.2 -23,-0.0 -26,-0.1 -0.957 30.5 -95.7-130.7 149.0 41.7 16.7 -12.9 52 52 A Y - 0 0 0 -25,-2.5 -26,-2.5 -2,-0.4 -25,-0.2 -0.435 30.4-154.5 -60.5 128.8 39.4 17.9 -10.1 53 53 A P S S+ 0 0 7 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.491 74.2 32.9 -85.7 -5.2 36.5 19.6 -11.9 54 54 A V S S- 0 0 2 21,-0.1 2,-0.5 -30,-0.1 21,-0.2 -0.895 98.3 -88.4-139.1 160.1 35.7 21.8 -8.9 55 55 A D E - D 0 74B 0 19,-2.5 19,-3.2 -2,-0.3 2,-0.4 -0.718 58.6-156.8 -72.6 126.2 37.6 23.6 -6.1 56 56 A Y E +BD 23 73B 3 -33,-2.7 -34,-2.8 -2,-0.5 -33,-2.7 -0.907 31.4 103.0-122.3 133.1 37.5 20.8 -3.6 57 57 A G E -BD 21 72B 0 15,-2.9 15,-2.0 -2,-0.4 2,-0.3 -0.740 52.6 -64.1-169.7-141.6 37.8 20.8 0.2 58 58 A I E -BD 20 71B 2 -38,-2.2 -38,-3.1 13,-0.3 13,-0.2 -0.886 26.3-121.4-131.4 159.5 36.1 20.6 3.6 59 59 A I > - 0 0 0 11,-1.9 3,-0.7 -2,-0.3 11,-0.3 -0.906 46.2-117.5 -94.3 125.4 33.6 22.3 5.8 60 60 A P T 3 S+ 0 0 0 0, 0.0 -56,-0.1 0, 0.0 -55,-0.1 -0.253 92.7 22.5 -62.5 155.5 35.4 23.1 9.1 61 61 A Q T 3 S+ 0 0 34 -57,-2.2 2,-0.3 1,-0.2 109,-0.2 0.871 99.6 116.2 53.2 43.3 34.2 21.5 12.3 62 62 A T < - 0 0 0 -3,-0.7 2,-0.3 -58,-0.1 -1,-0.2 -0.908 43.2-168.1-128.4 163.1 32.5 18.6 10.5 63 63 A W - 0 0 35 103,-1.6 2,-0.3 -2,-0.3 107,-0.3 -0.942 7.8-170.3-144.9 165.0 33.1 14.9 10.4 64 64 A Y B >> -J 68 0D 2 4,-0.8 3,-2.1 -2,-0.3 4,-0.5 -0.941 40.5 -86.8-157.1 172.6 31.9 12.1 8.2 65 65 A D T 34 S+ 0 0 63 1,-0.3 38,-0.1 -2,-0.3 37,-0.1 0.651 115.8 62.7 -65.8 -22.5 31.7 8.4 7.6 66 66 A D T 34 S- 0 0 41 36,-0.2 -1,-0.3 2,-0.2 37,-0.1 0.290 118.9-104.0 -86.9 13.7 35.0 8.1 5.8 67 67 A G T <4 S+ 0 0 29 -3,-2.1 -2,-0.2 1,-0.3 -4,-0.0 0.905 91.8 78.9 72.9 38.3 36.9 9.3 8.9 68 68 A D B < S-J 64 0D 38 -4,-0.5 -4,-0.8 -33,-0.0 -1,-0.3 -0.954 90.3 -60.5-162.4 171.9 37.6 12.8 7.8 69 69 A P - 0 0 5 0, 0.0 -6,-0.2 0, 0.0 2,-0.1 -0.204 66.8 -86.2 -61.5 157.5 35.8 16.2 7.5 70 70 A F - 0 0 0 -11,-0.3 -11,-1.9 1,-0.1 2,-0.2 -0.380 49.5-119.1 -68.5 135.8 32.7 16.4 5.3 71 71 A D E -De 58 105B 11 33,-0.6 35,-2.2 -13,-0.2 2,-0.4 -0.535 28.7-172.8 -86.6 140.7 33.6 17.2 1.6 72 72 A I E -De 57 106B 0 -15,-2.0 -15,-2.9 33,-0.2 2,-0.5 -0.990 12.0-156.3-135.4 143.6 32.5 20.2 -0.3 73 73 A M E -De 56 107B 0 33,-2.9 35,-2.8 -2,-0.4 2,-0.5 -0.982 12.6-164.5-119.8 117.9 32.9 21.1 -4.0 74 74 A V E -De 55 108B 0 -19,-3.2 -19,-2.5 -2,-0.5 2,-1.0 -0.928 18.9-134.1-111.3 129.3 32.8 24.8 -4.9 75 75 A I + 0 0 17 33,-2.3 2,-0.4 -2,-0.5 -21,-0.1 -0.728 35.5 173.2 -82.8 98.8 32.3 26.0 -8.4 76 76 A M - 0 0 44 -2,-1.0 -51,-0.1 1,-0.2 -2,-0.0 -0.959 29.7-156.2-109.6 131.0 35.0 28.8 -8.9 77 77 A R S S+ 0 0 149 -2,-0.4 -1,-0.2 1,-0.3 36,-0.0 0.959 97.4 32.1 -66.3 -53.6 35.7 30.4 -12.2 78 78 A E S S- 0 0 155 0, 0.0 -1,-0.3 0, 0.0 -53,-0.0 -0.945 103.2-123.0 -98.5 117.7 39.2 31.3 -11.2 79 79 A P - 0 0 48 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.258 23.5-128.0 -61.1 149.6 40.4 28.5 -8.9 80 80 A V - 0 0 22 -57,-0.1 3,-0.1 1,-0.1 -4,-0.0 -0.528 23.3 -99.9 -88.8 168.1 41.6 29.5 -5.4 81 81 A Y > - 0 0 183 -2,-0.2 3,-1.4 1,-0.1 -60,-0.2 -0.480 52.3 -84.0 -78.5 152.5 44.8 28.6 -3.7 82 82 A P T 3 S+ 0 0 43 0, 0.0 -60,-0.2 0, 0.0 -1,-0.1 -0.254 114.9 27.5 -58.3 147.2 44.8 25.7 -1.2 83 83 A L T 3 S+ 0 0 69 -62,-3.6 2,-0.4 1,-0.3 -61,-0.1 0.555 86.7 139.6 72.2 19.9 43.8 26.7 2.3 84 84 A T < - 0 0 49 -3,-1.4 -63,-2.6 -63,-0.4 2,-0.4 -0.736 49.2-133.0 -88.7 138.3 41.6 29.5 1.1 85 85 A I B C 20 0B 85 -2,-0.4 -65,-0.2 -65,-0.2 -67,-0.0 -0.750 360.0 360.0 -87.5 130.4 38.3 30.1 2.9 86 86 A I 0 0 33 -67,-2.6 -67,-2.7 -2,-0.4 -69,-0.1 -0.992 360.0 360.0-122.1 360.0 35.3 30.6 0.6 87 ! 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 88 88 A A 0 0 5 0, 0.0 -71,-2.6 0, 0.0 -14,-0.0 0.000 360.0 360.0 360.0 140.1 29.7 29.1 -0.1 89 89 A R E -F 109 0B 47 20,-3.0 20,-1.9 -73,-0.2 -73,-0.2 -0.900 360.0-131.4-101.2 113.2 26.0 28.5 -0.8 90 90 A P E +F 108 0B 6 0, 0.0 18,-0.3 0, 0.0 3,-0.1 -0.479 32.3 168.2 -62.2 133.9 25.0 24.8 -0.9 91 91 A I E - 0 0 0 16,-3.1 31,-0.6 1,-0.3 65,-0.5 0.423 61.2 -25.6-123.1 -7.9 22.9 24.0 -4.0 92 92 A G E -FG 107 155B 0 15,-1.4 15,-2.8 64,-0.2 -1,-0.3 -0.975 57.5-114.8 175.8-175.8 23.0 20.2 -4.1 93 93 A I E -FG 106 154B 0 61,-2.1 61,-2.9 -2,-0.3 2,-0.5 -0.987 13.7-134.6-150.9 133.2 24.8 17.1 -3.0 94 94 A M E -FG 105 153B 0 11,-2.7 11,-1.9 -2,-0.3 2,-1.0 -0.790 21.9-140.7 -88.5 125.5 26.6 14.3 -4.9 95 95 A K E + G 0 152B 29 57,-2.9 56,-2.8 -2,-0.5 57,-0.8 -0.760 37.5 162.9 -94.2 102.0 25.6 10.9 -3.4 96 96 A M E - G 0 150B 1 -2,-1.0 7,-2.5 54,-0.2 2,-0.4 -0.981 32.7-158.3-124.2 136.6 28.8 8.9 -3.4 97 97 A E E -HG 102 149B 92 52,-2.8 52,-2.4 -2,-0.4 2,-0.5 -0.930 17.4-165.6-105.0 135.3 30.0 5.8 -1.7 98 98 A D E > -HG 101 148B 14 3,-2.8 3,-2.2 -2,-0.4 50,-0.2 -0.965 68.2 -26.1-128.3 110.2 33.8 5.6 -1.6 99 99 A S T 3 S- 0 0 62 48,-3.0 49,-0.1 -2,-0.5 -1,-0.1 0.813 128.4 -47.9 56.5 34.4 35.5 2.3 -0.7 100 100 A G T 3 S+ 0 0 49 47,-0.3 2,-0.4 1,-0.3 -1,-0.3 0.329 116.9 110.3 91.1 -8.3 32.4 1.3 1.2 101 101 A D E < S-H 98 0B 69 -3,-2.2 -3,-2.8 -35,-0.1 -1,-0.3 -0.831 77.1-110.4-100.5 139.9 32.0 4.5 3.2 102 102 A K E +H 97 0B 59 -2,-0.4 -36,-0.2 -5,-0.2 -5,-0.2 -0.437 45.7 166.8 -57.2 135.8 29.3 7.1 2.7 103 103 A D + 0 0 3 -7,-2.5 -6,-0.1 -38,-0.1 -1,-0.1 -0.186 4.9 169.0-156.6 41.3 31.2 10.0 1.2 104 104 A W - 0 0 27 -9,-0.1 -33,-0.6 1,-0.1 2,-0.4 -0.225 20.1-147.7 -60.6 155.7 28.6 12.4 -0.1 105 105 A K E -eF 71 94B 0 -11,-1.9 -11,-2.7 -35,-0.1 -33,-0.2 -0.984 9.3-126.4-137.9 124.7 29.8 15.9 -1.2 106 106 A V E -eF 72 93B 0 -35,-2.2 -33,-2.9 -2,-0.4 2,-0.5 -0.468 17.4-147.6 -63.6 139.1 28.1 19.2 -1.1 107 107 A L E +eF 73 92B 0 -15,-2.8 -16,-3.1 -35,-0.2 -15,-1.4 -0.958 31.8 165.6-104.6 128.1 28.0 21.2 -4.3 108 108 A A E -eF 74 90B 0 -35,-2.8 -33,-2.3 -2,-0.5 12,-0.1 -0.927 30.2-140.3-140.8 162.6 28.2 24.9 -3.7 109 109 A V E - F 0 89B 0 -20,-1.9 -20,-3.0 -2,-0.3 2,-0.3 -0.905 36.8 -97.5-121.3 152.7 28.7 28.2 -5.3 110 110 A P > - 0 0 6 0, 0.0 3,-1.2 0, 0.0 6,-0.2 -0.516 22.3-146.1 -69.1 132.5 30.6 31.2 -4.0 111 111 A V T 3 S+ 0 0 48 -2,-0.3 -25,-0.0 1,-0.3 5,-0.0 0.829 96.7 53.5 -61.7 -34.6 28.4 33.8 -2.4 112 112 A E T 3 S+ 0 0 176 1,-0.0 -1,-0.3 2,-0.0 3,-0.1 0.023 85.6 86.1-106.3 31.8 30.6 36.6 -3.6 113 113 A D X - 0 0 20 -3,-1.2 3,-1.9 1,-0.1 4,-0.1 -0.961 62.8-158.3-116.7 111.2 30.8 35.8 -7.3 114 114 A P G > S+ 0 0 91 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.720 84.0 78.4 -65.6 -17.0 27.8 37.5 -9.0 115 115 A Y G 3 S+ 0 0 138 1,-0.3 3,-0.3 2,-0.1 -3,-0.0 0.845 100.0 42.6 -50.6 -37.8 28.1 35.1 -11.9 116 116 A F G X S+ 0 0 5 -3,-1.9 3,-2.3 -6,-0.2 -1,-0.3 0.260 77.6 115.0 -97.2 12.1 26.4 32.5 -9.6 117 117 A N T < S+ 0 0 79 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.794 82.1 43.6 -55.9 -36.5 23.7 34.8 -8.1 118 118 A D T 3 S+ 0 0 126 -3,-0.3 2,-0.8 -4,-0.3 -1,-0.3 0.336 87.4 103.1 -93.5 6.3 20.9 32.9 -9.7 119 119 A W < + 0 0 43 -3,-2.3 -10,-0.1 1,-0.2 3,-0.1 -0.820 34.7 137.7 -90.0 107.1 22.4 29.4 -8.9 120 120 A K + 0 0 127 -2,-0.8 2,-0.3 1,-0.3 -1,-0.2 0.482 59.6 22.3-129.6 -14.0 20.3 28.2 -5.9 121 121 A D S > S- 0 0 51 34,-0.1 3,-2.3 35,-0.1 4,-0.3 -0.942 86.1 -91.2-154.3 172.1 19.5 24.5 -6.5 122 122 A I G > S+ 0 0 31 -31,-0.6 3,-1.4 1,-0.3 -30,-0.1 0.793 117.5 64.5 -64.6 -27.1 20.6 21.5 -8.4 123 123 A S G 3 S+ 0 0 103 1,-0.3 -1,-0.3 -32,-0.1 4,-0.1 0.608 91.3 66.3 -69.0 -12.4 18.4 22.3 -11.4 124 124 A D G < S+ 0 0 68 -3,-2.3 -1,-0.3 -33,-0.2 -2,-0.2 0.535 84.4 88.5 -84.0 -11.2 20.4 25.5 -12.0 125 125 A V S < S- 0 0 10 -3,-1.4 5,-0.1 -4,-0.3 -6,-0.0 -0.716 92.0-101.5 -90.4 138.0 23.5 23.6 -12.9 126 126 A P >> - 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