==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-JUL-08 3DOH . COMPND 2 MOLECULE: ESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR M.LEVISSON,L.SUN,S.HENDRIKS,B.W.DIJKSTRA,J.VAN DER OOST, . 746 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32186.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 521 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 133 17.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 2 0.3 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 . 85 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 6 2 0 0 2 0 0 0 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 1 3 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 PARALLEL BRIDGES PER LADDER . 8 2 0 5 4 3 2 0 2 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 . 2 0 2 0 1 1 0 2 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 21 A V 0 0 75 0, 0.0 23,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 120.1 18.2 -36.6 67.2 2 22 A K - 0 0 141 21,-2.6 2,-0.3 1,-0.2 22,-0.2 0.837 360.0 -26.5 -74.8 -36.8 19.5 -36.7 63.7 3 23 A S E -A 23 0A 16 20,-1.1 20,-2.8 2,-0.0 2,-0.4 -0.967 40.1-140.9-170.9 159.6 20.2 -33.0 63.1 4 24 A V E -A 22 0A 1 -2,-0.3 125,-3.1 18,-0.2 126,-0.6 -0.983 28.8-166.6-131.7 115.2 19.4 -29.5 64.0 5 25 A T E -Ab 21 130A 20 16,-3.0 16,-3.0 -2,-0.4 2,-0.5 -0.923 16.1-138.7-118.5 124.9 19.4 -27.2 61.0 6 26 A L E -Ab 20 131A 0 124,-3.1 126,-1.9 -2,-0.5 2,-0.6 -0.712 17.7-150.4 -76.7 119.8 19.4 -23.5 61.0 7 27 A I E -Ab 19 132A 0 12,-3.9 11,-2.2 -2,-0.5 12,-2.1 -0.875 17.1-177.0 -96.9 120.9 17.1 -22.1 58.3 8 28 A T E -Ab 17 133A 1 124,-2.2 126,-2.4 -2,-0.6 2,-0.3 -0.846 3.5-178.6-110.9 154.7 18.2 -18.7 56.9 9 29 A K E -Ab 16 134A 62 7,-2.3 7,-2.5 -2,-0.3 2,-0.8 -0.985 33.3-109.2-149.7 147.5 16.4 -16.7 54.4 10 30 A V E -A 15 0A 4 124,-0.5 5,-0.3 -2,-0.3 181,-0.1 -0.737 38.6-173.2 -89.8 113.9 17.2 -13.3 52.8 11 31 A F E > -A 14 0A 30 3,-2.4 3,-3.8 -2,-0.8 182,-0.0 -0.587 44.2 -91.4 -98.6 164.4 14.8 -10.7 54.1 12 32 A P T 3 S+ 0 0 20 0, 0.0 181,-0.5 0, 0.0 182,-0.1 0.822 130.3 43.2 -49.2 -33.2 14.6 -7.1 52.8 13 33 A E T 3 S- 0 0 82 1,-0.3 2,-0.2 179,-0.1 179,-0.1 0.230 130.0 -81.4 -96.3 16.3 17.1 -5.9 55.4 14 34 A G E < S-A 11 0A 2 -3,-3.8 -3,-2.4 74,-0.1 -1,-0.3 -0.564 70.2 -24.6 114.9-176.2 19.3 -9.0 54.9 15 35 A E E +A 10 0A 1 175,-1.5 74,-2.6 -5,-0.3 75,-0.4 -0.507 57.2 175.8 -81.9 130.7 19.7 -12.6 55.8 16 36 A K E -AC 9 88A 8 -7,-2.5 -7,-2.3 -2,-0.3 2,-0.8 -0.930 39.1-111.1-130.1 150.9 18.1 -13.8 59.0 17 37 A V E +A 8 0A 0 70,-1.8 -9,-0.3 -2,-0.3 3,-0.1 -0.796 42.5 169.0 -79.4 114.9 17.8 -17.1 60.7 18 38 A C E + 0 0 11 -11,-2.2 62,-3.1 -2,-0.8 2,-0.3 0.607 55.5 18.2-108.1 -21.2 14.0 -17.7 60.4 19 39 A A E -AD 7 79A 1 -12,-2.1 -12,-3.9 60,-0.2 2,-0.4 -0.989 52.1-148.2-150.0 161.1 13.6 -21.3 61.4 20 40 A V E -AD 6 78A 0 58,-2.2 58,-2.8 -2,-0.3 2,-0.5 -0.999 19.3-161.9-125.4 126.1 15.2 -24.2 63.1 21 41 A V E -AD 5 77A 2 -16,-3.0 -16,-3.0 -2,-0.4 2,-0.5 -0.951 0.5-161.8-112.0 125.0 14.5 -27.7 61.8 22 42 A I E -AD 4 76A 0 54,-3.2 54,-2.9 -2,-0.5 2,-0.8 -0.901 8.8-148.9-106.7 126.6 15.1 -30.8 64.0 23 43 A E E -AD 3 75A 33 -20,-2.8 -21,-2.6 -2,-0.5 -20,-1.1 -0.874 19.9-158.9 -95.3 108.6 15.3 -34.2 62.4 24 44 A Y E - 0 0 0 50,-3.2 4,-0.1 -2,-0.8 97,-0.0 -0.480 27.3-116.5 -82.3 154.3 14.1 -36.7 64.9 25 45 A P E S+ 0 0 82 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.859 101.4 25.0 -62.5 -35.7 14.9 -40.5 64.8 26 46 A V E S- 0 0 56 1,-0.2 -2,-0.2 47,-0.1 2,-0.1 -0.625 99.3 -86.5-109.7-178.5 11.1 -41.2 64.2 27 47 A E E - 0 0 60 -2,-0.2 89,-0.6 -4,-0.1 2,-0.3 -0.255 42.9-156.4 -73.5 173.0 8.3 -39.3 62.8 28 48 A I E -ED 115 73A 0 45,-0.7 45,-2.7 87,-0.2 2,-0.6 -0.974 17.8-119.9-152.9 146.2 6.3 -37.0 65.1 29 49 A D E > - D 0 72A 28 85,-0.6 3,-0.6 -2,-0.3 43,-0.3 -0.863 17.2-168.3 -91.9 117.6 2.8 -35.5 65.1 30 50 A G G > S+ 0 0 3 41,-3.1 3,-1.5 -2,-0.6 42,-0.2 0.683 78.5 80.9 -76.1 -22.3 2.9 -31.7 65.1 31 51 A Q G 3 S+ 0 0 152 40,-0.9 -1,-0.2 1,-0.3 41,-0.1 0.899 100.5 41.7 -49.1 -39.1 -0.8 -31.5 65.9 32 52 A K G < S+ 0 0 113 -3,-0.6 -1,-0.3 82,-0.1 -2,-0.2 0.458 96.9 99.0 -91.0 -2.6 0.4 -32.1 69.5 33 53 A L < - 0 0 18 -3,-1.5 23,-0.2 -4,-0.1 25,-0.1 -0.467 47.5-176.9 -83.5 156.1 3.5 -29.8 69.4 34 54 A S > - 0 0 47 -2,-0.1 3,-1.8 21,-0.1 4,-0.2 -0.985 37.5-111.4-153.8 145.4 3.5 -26.2 70.8 35 55 A P G > S+ 0 0 46 0, 0.0 3,-1.5 0, 0.0 18,-0.1 0.781 110.3 65.3 -48.5 -34.5 6.1 -23.4 70.9 36 56 A D G 3 S+ 0 0 77 1,-0.3 3,-0.0 387,-0.1 -3,-0.0 0.344 87.3 70.6 -77.0 9.5 6.6 -23.6 74.7 37 57 A Q G < S+ 0 0 33 -3,-1.8 73,-3.0 73,-0.1 74,-0.8 0.430 101.6 46.1 -98.7 -1.7 8.0 -27.1 74.4 38 58 A F E < -G 109 0B 8 -3,-1.5 2,-0.3 71,-0.3 71,-0.2 -0.852 63.7-151.5-136.0 168.4 11.2 -25.9 72.8 39 59 A S E -G 108 0B 19 69,-2.2 69,-2.6 -2,-0.3 2,-0.4 -0.997 6.0-168.5-140.7 143.7 13.8 -23.2 73.2 40 60 A V E +GH 107 51B 1 11,-0.5 11,-2.6 -2,-0.3 2,-0.3 -0.997 12.1 175.3-133.4 134.3 16.1 -21.5 70.7 41 61 A K E -GH 106 50B 7 65,-2.4 65,-1.8 -2,-0.4 2,-0.3 -0.987 17.1-152.1-139.8 145.9 19.1 -19.2 71.5 42 62 A V E -GH 105 49B 4 7,-2.4 7,-1.8 -2,-0.3 2,-0.4 -0.813 19.9-127.7-104.0 154.8 21.8 -17.3 69.7 43 63 A K E - H 0 48B 47 61,-2.3 5,-0.3 -2,-0.3 61,-0.2 -0.831 24.0-175.3 -88.2 141.6 25.2 -16.5 71.0 44 64 A T - 0 0 46 3,-3.3 2,-0.1 -2,-0.4 -2,-0.1 -0.303 68.2 -49.1-177.0 102.9 26.4 -12.9 70.8 45 65 A G S S- 0 0 54 -2,-0.1 -2,-0.1 1,-0.0 3,-0.0 -0.871 120.6 -18.3-114.3 -32.7 29.0 -12.6 71.6 46 66 A D S S+ 0 0 137 -2,-0.1 2,-0.3 -3,-0.1 -3,-0.0 0.110 124.4 55.0-115.8 18.4 29.7 -14.3 75.0 47 67 A T S S- 0 0 99 2,-0.0 -3,-3.3 0, 0.0 2,-0.4 -0.923 77.3-123.9-130.4 174.9 26.1 -14.6 76.1 48 68 A Y E -H 43 0B 22 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.867 16.4-165.8-111.0 145.0 22.9 -16.0 74.6 49 69 A S E -H 42 0B 33 -7,-1.8 -7,-2.4 -2,-0.4 2,-0.2 -0.938 28.2-104.6-124.0 156.7 19.7 -14.3 73.9 50 70 A S E -H 41 0B 69 -2,-0.3 2,-0.4 -9,-0.2 36,-0.3 -0.490 17.2-146.2 -78.1 145.5 16.4 -16.1 73.0 51 71 A R E -H 40 0B 6 -11,-2.6 2,-0.7 -2,-0.2 -11,-0.5 -0.888 29.4-119.9 -97.4 139.5 14.8 -16.3 69.6 52 72 A T - 0 0 69 -2,-0.4 29,-2.9 29,-0.2 2,-0.6 -0.774 18.6-143.2 -89.6 116.6 11.1 -16.2 69.9 53 73 A I E -F 80 0A 24 -2,-0.7 27,-0.3 27,-0.2 3,-0.1 -0.645 20.2-179.9 -75.8 112.7 9.4 -19.3 68.5 54 74 A T E + 0 0 55 25,-2.0 2,-0.3 -2,-0.6 -1,-0.1 0.821 63.1 3.5 -92.5 -32.0 6.2 -18.2 66.8 55 75 A K E -F 79 0A 127 24,-0.6 24,-2.5 -20,-0.1 2,-0.4 -0.980 59.3-152.2-145.0 147.2 4.8 -21.6 65.5 56 76 A V E +F 78 0A 16 -2,-0.3 2,-0.3 22,-0.2 22,-0.2 -0.972 28.4 148.3-112.9 141.2 5.8 -25.3 65.7 57 77 A Y E -F 77 0A 18 20,-2.0 20,-3.0 -2,-0.4 2,-0.4 -0.975 32.4-123.8-156.6 172.1 4.9 -27.9 63.1 58 78 A A E +F 76 0A 0 -2,-0.3 14,-0.6 18,-0.2 9,-0.3 -0.946 26.9 156.8-125.2 147.0 6.0 -31.1 61.4 59 79 A N E -F 75 0A 7 16,-1.6 16,-1.8 -2,-0.4 -31,-0.1 -0.856 41.1-128.5-142.7-176.9 6.7 -32.2 57.8 60 80 A N S S+ 0 0 77 -2,-0.2 13,-0.1 13,-0.2 16,-0.1 0.313 96.3 73.5-115.2 3.0 8.7 -34.9 55.9 61 81 A S S S- 0 0 71 4,-0.2 3,-0.1 2,-0.1 12,-0.0 0.941 90.1-133.9 -79.6 -53.6 10.3 -32.4 53.6 62 82 A G S S+ 0 0 19 1,-0.4 2,-0.1 3,-0.2 -41,-0.1 0.361 74.9 82.8 108.8 -3.3 12.8 -30.7 55.9 63 83 A G S S- 0 0 18 2,-0.1 -1,-0.4 12,-0.1 -2,-0.1 -0.168 102.8 -68.5-110.4-151.1 12.0 -27.2 54.8 64 84 A L S S+ 0 0 52 -2,-0.1 2,-0.1 -3,-0.1 13,-0.0 0.425 80.6 131.7 -87.7 5.8 9.4 -24.8 55.8 65 85 A S + 0 0 70 1,-0.0 2,-0.4 2,-0.0 -4,-0.2 -0.332 28.5 177.8 -75.2 138.0 6.4 -26.6 54.2 66 86 A F - 0 0 110 -2,-0.1 2,-0.5 -7,-0.1 5,-0.1 -0.970 10.9-176.2-139.4 119.6 3.2 -27.1 56.3 67 87 A S > - 0 0 45 -2,-0.4 3,-0.6 3,-0.4 -9,-0.1 -0.977 26.4-141.7-111.0 131.9 -0.1 -28.6 55.4 68 88 A I T 3 S+ 0 0 126 -2,-0.5 3,-0.4 1,-0.2 -1,-0.1 0.711 100.6 63.4 -47.2 -21.8 -3.0 -28.7 57.9 69 89 A F T 3 S+ 0 0 163 1,-0.3 2,-0.3 3,-0.0 -1,-0.2 0.888 115.0 18.4 -85.6 -42.8 -3.7 -32.1 56.5 70 90 A N < + 0 0 78 -3,-0.6 2,-1.8 -12,-0.1 -3,-0.4 -0.725 65.0 172.5-132.9 79.8 -0.6 -34.0 57.5 71 91 A N + 0 0 28 -3,-0.4 -41,-3.1 -2,-0.3 -40,-0.9 -0.558 51.7 93.1 -84.3 70.7 1.2 -32.1 60.3 72 92 A R E +D 29 0A 108 -2,-1.8 2,-0.3 -14,-0.6 -43,-0.2 -0.997 35.0 92.1-161.4 154.8 3.7 -34.9 60.8 73 93 A G E S-D 28 0A 0 -45,-2.7 -45,-0.7 -2,-0.3 -13,-0.2 -0.863 76.6 -58.9 149.1-170.9 7.1 -36.5 60.2 74 94 A K E S+ 0 0 81 -47,-0.3 -50,-3.2 -2,-0.3 2,-0.5 0.675 108.3 80.3 -76.3 -14.3 10.7 -36.8 61.2 75 95 A Y E -DF 23 59A 46 -16,-1.8 -16,-1.6 -52,-0.2 2,-0.5 -0.814 60.4-166.8 -99.6 128.7 11.2 -33.0 60.8 76 96 A V E -DF 22 58A 0 -54,-2.9 -54,-3.2 -2,-0.5 2,-0.5 -0.961 9.5-155.4-112.0 123.0 10.1 -30.6 63.4 77 97 A V E -DF 21 57A 0 -20,-3.0 -20,-2.0 -2,-0.5 2,-0.6 -0.848 9.0-170.1 -98.8 128.1 10.0 -26.9 62.3 78 98 A L E -DF 20 56A 0 -58,-2.8 -58,-2.2 -2,-0.5 2,-0.3 -0.969 15.7-152.2-114.6 110.3 10.4 -24.2 64.8 79 99 A E E -DF 19 55A 63 -24,-2.5 -25,-2.0 -2,-0.6 -24,-0.6 -0.622 10.9-148.2 -85.4 144.9 9.6 -20.9 63.2 80 100 A L E - F 0 53A 0 -62,-3.1 -27,-0.2 -2,-0.3 2,-0.2 -0.891 22.0-100.4-118.7 143.2 11.3 -17.8 64.7 81 101 A S > - 0 0 19 -29,-2.9 3,-1.2 -2,-0.4 -29,-0.2 -0.376 21.6-153.3 -59.3 124.4 10.2 -14.1 64.9 82 102 A T T 3 S+ 0 0 38 1,-0.2 -1,-0.2 -2,-0.2 5,-0.1 0.488 92.6 65.6 -73.3 -0.5 11.9 -12.2 62.2 83 103 A E T 3 S+ 0 0 150 -31,-0.1 -1,-0.2 4,-0.1 -2,-0.1 0.394 72.8 121.6-102.8 -2.1 11.6 -9.1 64.5 84 104 A D S X S- 0 0 23 -3,-1.2 3,-0.8 1,-0.1 4,-0.3 -0.358 70.1-125.9 -57.2 142.8 13.9 -10.5 67.1 85 105 A L G > S+ 0 0 154 1,-0.3 2,-1.3 2,-0.1 3,-0.6 0.946 106.2 46.8 -54.2 -55.2 16.9 -8.3 67.8 86 106 A H G 3 S+ 0 0 52 -36,-0.3 -1,-0.3 1,-0.2 -2,-0.1 -0.414 82.3 101.1 -91.8 59.9 19.4 -11.1 67.2 87 107 A S G < + 0 0 1 -2,-1.3 -70,-1.8 -3,-0.8 -1,-0.2 0.781 54.6 91.2-103.3 -39.1 18.0 -12.4 64.0 88 108 A N B < -C 16 0A 60 -3,-0.6 -72,-0.2 -4,-0.3 -74,-0.1 -0.156 58.8-154.8 -53.1 142.0 20.3 -10.9 61.3 89 109 A T S S+ 0 0 0 -74,-2.6 2,-0.6 101,-0.1 12,-0.4 0.643 75.3 72.7 -90.6 -14.5 23.4 -12.8 60.3 90 110 A I - 0 0 17 -75,-0.4 2,-0.5 10,-0.2 10,-0.2 -0.872 65.0-157.0-113.1 115.8 25.4 -9.8 59.3 91 111 A V B -J 99 0C 87 8,-2.2 8,-2.3 -2,-0.6 2,-1.3 -0.811 21.8-130.6 -89.5 125.5 26.8 -7.3 61.7 92 112 A F - 0 0 149 -2,-0.5 6,-0.2 6,-0.2 3,-0.1 -0.674 35.3-179.9 -71.2 93.3 27.4 -3.9 60.2 93 113 A G - 0 0 26 -2,-1.3 4,-0.3 4,-0.5 2,-0.1 -0.164 29.2 -41.8 -77.8-175.7 31.0 -3.1 61.2 94 114 A P S S- 0 0 111 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.390 95.8 -6.4 -94.0 175.2 32.8 0.1 60.3 95 115 A N S S- 0 0 156 1,-0.2 84,-0.1 -2,-0.1 3,-0.0 -0.555 124.2 -37.2 -77.5 -45.2 33.5 2.2 58.2 96 116 A F S S+ 0 0 96 -2,-0.3 2,-0.4 82,-0.1 85,-0.3 -0.236 108.3 98.2-132.4 41.0 31.8 0.7 55.1 97 117 A L - 0 0 63 -4,-0.3 -4,-0.5 83,-0.1 2,-0.2 -0.941 50.4-162.4-142.3 111.9 32.5 -3.0 55.5 98 118 A N - 0 0 21 81,-2.4 2,-0.4 -2,-0.4 -6,-0.2 -0.615 4.7-158.7 -95.7 154.1 30.0 -5.6 56.9 99 119 A T B -J 91 0C 79 -8,-2.3 -8,-2.2 -2,-0.2 2,-1.0 -0.990 15.8-127.3-134.3 141.2 30.8 -9.1 58.2 100 120 A R - 0 0 43 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.772 27.1-129.6 -95.1 91.9 28.8 -12.3 58.7 101 121 A M - 0 0 51 -2,-1.0 2,-0.3 -12,-0.4 -1,-0.0 0.002 24.8-111.8 1.5 106.6 28.9 -13.7 62.0 102 122 A K - 0 0 165 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.567 49.9-107.9 -45.2 129.2 29.7 -17.3 62.1 103 123 A L - 0 0 14 -2,-0.3 2,-0.4 -3,-0.1 25,-0.1 -0.613 39.1-176.0 -88.0 137.9 26.4 -18.7 63.4 104 124 A D + 0 0 52 -2,-0.3 -61,-2.3 -61,-0.2 2,-0.3 -0.877 12.2 157.2-143.9 100.8 26.0 -20.0 66.9 105 125 A Y E -G 42 0B 2 -2,-0.4 23,-0.9 -63,-0.2 2,-0.4 -0.880 25.2-161.3-131.1 148.1 22.9 -21.5 68.3 106 126 A I E -GI 41 127B 9 -65,-1.8 -65,-2.4 -2,-0.3 2,-0.4 -0.995 17.4-168.8-129.7 141.5 21.7 -23.8 70.9 107 127 A V E -GI 40 126B 1 19,-3.0 19,-1.9 -2,-0.4 2,-0.4 -0.942 0.2-163.5-129.4 144.4 18.3 -25.5 70.8 108 128 A S E -GI 39 125B 3 -69,-2.6 -69,-2.2 -2,-0.4 2,-0.7 -0.991 24.6-156.2-136.4 138.9 16.2 -27.4 73.2 109 129 A Q E -GI 38 124B 0 15,-1.9 15,-1.2 -2,-0.4 -71,-0.3 -0.953 27.0-173.1 -93.5 120.1 13.3 -29.7 73.4 110 130 A L + 0 0 8 -73,-3.0 -72,-0.2 -2,-0.7 -1,-0.1 0.728 58.0 30.7 -93.7 -28.5 12.4 -29.0 77.0 111 131 A V S S- 0 0 4 -74,-0.8 13,-0.1 1,-0.1 10,-0.1 -0.846 95.5 -86.0-128.0 161.2 9.7 -31.5 77.8 112 132 A P - 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0 0 19 -3,-2.2 2,-0.3 -42,-0.1 -39,-0.1 -0.607 64.9-150.9-138.0-146.1 38.1 -1.3 45.8 221 241 A S - 0 0 0 -2,-0.2 18,-0.3 1,-0.1 15,-0.1 -0.903 36.1 -89.5 166.1 155.8 34.7 -0.8 44.3 222 242 A W S S+ 0 0 0 -2,-0.3 14,-2.4 16,-0.1 17,-0.7 0.821 108.3 22.8 -63.1 -43.8 32.8 -1.0 41.0 223 243 A S B > S-T 235 0F 0 44,-0.3 2,-3.7 12,-0.2 3,-0.6 -0.702 105.6 -82.9-109.4 164.6 33.5 2.5 39.8 224 244 A T T 3 S+ 0 0 17 10,-3.0 6,-0.3 -2,-0.2 10,-0.2 -0.286 94.4 115.4 -63.4 57.8 36.3 4.9 40.7 225 245 A L T > S+ 0 0 41 -2,-3.7 3,-0.6 7,-0.1 -1,-0.2 0.911 85.1 22.1 -87.7 -66.4 34.2 5.9 43.8 226 246 A F T < S+ 0 0 94 -3,-0.6 -2,-0.1 1,-0.2 3,-0.1 0.342 122.8 60.7 -82.3 1.8 36.4 4.6 46.6 227 247 A T T 3 S+ 0 0 53 1,-0.3 -1,-0.2 -4,-0.2 2,-0.2 -0.139 109.7 24.4-124.4 39.0 39.6 4.7 44.4 228 248 A D < - 0 0 74 -3,-0.6 2,-0.6 2,-0.0 -1,-0.3 -0.541 51.3-149.5 165.7 127.7 39.7 8.4 43.5 229 249 A R S S+ 0 0 264 -2,-0.2 -4,-0.1 -3,-0.1 -3,-0.1 -0.665 89.8 65.0-102.3 70.6 38.6 11.9 44.8 230 250 A E S S- 0 0 152 -2,-0.6 -1,-0.1 -6,-0.3 -2,-0.0 0.242 119.1 -11.6-145.6 -61.9 38.2 13.5 41.3 231 251 A N > - 0 0 36 -7,-0.2 2,-2.0 63,-0.0 3,-1.0 -0.720 52.4-164.4-146.5 103.0 35.4 11.7 39.5 232 252 A P T 3 S+ 0 0 29 0, 0.0 -7,-0.1 0, 0.0 60,-0.1 -0.218 71.2 91.5 -76.3 49.1 34.0 8.5 40.9 233 253 A F T 3 + 0 0 47 -2,-2.0 61,-0.2 -9,-0.2 -8,-0.1 0.481 58.6 98.8-116.5 -8.6 32.4 7.6 37.5 234 254 A N S < S- 0 0 64 -3,-1.0 -10,-3.0 -10,-0.2 2,-0.3 -0.468 80.9 -98.2 -83.3 153.9 35.0 5.6 35.7 235 255 A P B -T 223 0F 31 0, 0.0 -12,-0.2 0, 0.0 2,-0.2 -0.525 37.4-155.2 -72.5 129.6 35.1 1.8 35.6 236 256 A E > - 0 0 36 -14,-2.4 4,-2.7 -2,-0.3 3,-0.4 -0.565 34.5 -93.4 -97.4 168.3 37.4 0.1 38.1 237 257 A K H > S+ 0 0 99 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.876 123.3 55.6 -49.2 -48.7 39.0 -3.3 37.7 238 258 A P H > S+ 0 0 2 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.931 110.5 44.1 -55.4 -44.8 36.2 -5.1 39.5 239 259 A L H > S+ 0 0 0 -17,-0.7 4,-1.9 -3,-0.4 -2,-0.2 0.953 114.2 51.0 -61.3 -48.2 33.5 -3.7 37.2 240 260 A L H X S+ 0 0 58 -4,-2.7 4,-1.6 -18,-0.2 -1,-0.2 0.911 108.4 51.2 -57.8 -42.4 35.7 -4.4 34.2 241 261 A A H >X S+ 0 0 0 -4,-3.5 4,-1.9 -5,-0.2 3,-0.7 0.988 104.3 58.2 -56.7 -56.1 36.2 -7.9 35.4 242 262 A V H 3X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.3 -2,-0.2 0.836 103.5 54.2 -40.9 -43.9 32.3 -8.3 35.8 243 263 A I H 3X S+ 0 0 3 -4,-1.9 4,-2.1 2,-0.2 -1,-0.3 0.966 105.4 50.9 -57.0 -50.3 31.9 -7.5 32.1 244 264 A K H - 0 0 29 -87,-2.5 3,-2.6 -2,-0.3 -85,-0.3 -0.819 12.5-154.9 -93.1 106.5 19.6 -13.9 25.7 257 277 A E E 3 S+ 0 0 88 -2,-0.8 3,-0.5 1,-0.3 -1,-0.1 0.727 94.9 60.4 -48.5 -25.3 22.1 -11.2 24.5 258 278 A N E 3 S+ 0 0 93 1,-0.2 -1,-0.3 116,-0.0 25,-0.0 0.476 104.7 45.0 -85.4 -2.6 19.0 -9.0 24.2 259 279 A R E < + 0 0 65 -3,-2.6 -88,-2.2 115,-0.2 2,-0.8 -0.340 62.2 139.6-141.6 54.2 17.9 -9.1 27.8 260 280 A I E -n 171 0E 1 -3,-0.5 24,-2.1 22,-0.4 25,-0.6 -0.896 34.1-172.8 -95.5 105.5 20.9 -8.6 30.1 261 281 A Y E -np 172 285E 0 -90,-2.7 -88,-1.9 -2,-0.8 2,-0.3 -0.541 5.6-157.3 -96.4 162.6 19.5 -6.3 32.7 262 282 A I E +np 173 286E 1 23,-2.0 25,-2.2 -90,-0.2 2,-0.3 -0.971 17.5 159.9-150.5 134.3 21.5 -4.7 35.5 263 283 A T E +np 174 287E 0 -90,-2.1 -88,-2.3 -2,-0.3 2,-0.3 -0.976 3.0 155.3-147.0 154.4 20.8 -3.3 38.9 264 284 A G E -np 175 288E 0 23,-1.2 25,-2.5 -2,-0.3 2,-0.4 -0.948 29.7-120.5-170.3 167.0 22.7 -2.4 42.1 265 285 A L E > - p 0 289E 1 -90,-1.1 3,-2.6 -2,-0.3 2,-0.4 -0.939 66.2 -29.2-123.9 139.5 22.5 -0.1 45.1 266 286 A S T >> S+ 0 0 12 23,-2.7 4,-2.4 24,-0.7 3,-0.6 -0.411 143.6 13.1 68.2-112.2 24.7 2.6 46.5 267 287 A M H 3> S+ 0 0 1 -2,-0.4 4,-2.0 1,-0.3 -1,-0.3 0.883 137.5 49.3 -60.8 -34.2 28.3 1.6 45.4 268 288 A G H <> S+ 0 0 0 -3,-2.6 4,-1.7 2,-0.2 -2,-0.3 0.661 105.6 57.5 -74.3 -19.7 26.4 -0.8 43.1 269 289 A G H <> S+ 0 0 0 -3,-0.6 4,-2.5 21,-0.5 22,-0.3 0.915 108.9 43.1 -75.8 -50.3 24.2 2.1 42.0 270 290 A Y H X S+ 0 0 22 -4,-2.4 4,-2.6 20,-0.4 -2,-0.2 0.911 113.6 55.8 -51.1 -45.9 27.3 4.1 40.8 271 291 A G H X S+ 0 0 0 -4,-2.0 4,-2.9 -5,-0.2 -2,-0.2 0.890 107.6 46.9 -52.9 -46.9 28.4 0.7 39.4 272 292 A T H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 5,-0.3 0.925 112.6 48.1 -64.9 -49.0 25.2 0.4 37.4 273 293 A W H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.904 115.1 46.5 -59.3 -41.6 25.3 3.9 36.0 274 294 A T H X S+ 0 0 3 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.932 110.4 53.1 -67.4 -49.6 29.0 3.4 35.1 275 295 A A H X S+ 0 0 0 -4,-2.9 4,-1.2 1,-0.2 -2,-0.2 0.882 112.5 42.0 -49.1 -51.1 28.4 0.0 33.4 276 296 A I H < S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.854 116.0 48.9 -74.0 -31.9 25.6 1.1 31.1 277 297 A M H < S+ 0 0 2 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.855 117.4 40.9 -74.6 -35.2 27.3 4.4 30.2 278 298 A E H < S+ 0 0 44 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.602 130.2 28.5 -88.1 -11.8 30.6 2.6 29.4 279 299 A F >X + 0 0 50 -4,-1.2 3,-2.4 -5,-0.2 4,-0.8 -0.365 68.4 158.5-143.2 57.1 29.0 -0.4 27.7 280 300 A P T 34 S+ 0 0 29 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.699 72.7 61.4 -59.6 -19.3 25.7 1.0 26.2 281 301 A E T 34 S+ 0 0 183 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.0 0.706 98.1 58.1 -81.8 -18.7 25.6 -1.9 23.8 282 302 A L T <4 S+ 0 0 27 -3,-2.4 -22,-0.4 -7,-0.2 2,-0.3 0.897 91.0 64.8 -85.2 -40.3 25.5 -4.5 26.4 283 303 A F < - 0 0 11 -4,-0.8 -22,-0.2 1,-0.1 3,-0.1 -0.640 49.0-161.8-103.3 141.3 22.4 -4.0 28.6 284 304 A A S S- 0 0 11 -24,-2.1 90,-0.3 1,-0.3 2,-0.3 0.797 80.2 -12.0 -80.4 -33.2 18.6 -4.0 27.9 285 305 A A E -p 261 0E 0 -25,-0.6 -23,-2.0 19,-0.2 2,-0.3 -0.954 62.0-148.8-169.9 151.8 17.5 -2.1 31.0 286 306 A A E -pq 262 306E 0 19,-1.9 21,-2.0 -2,-0.3 -23,-0.2 -0.942 9.7-163.1-130.8 144.1 19.0 -0.8 34.3 287 307 A I E -p 263 0E 2 -25,-2.2 -23,-1.2 -2,-0.3 2,-0.7 -0.824 17.8-173.6-124.6 91.0 17.7 -0.1 37.8 288 308 A P E -p 264 0E 0 0, 0.0 21,-1.4 0, 0.0 2,-0.5 -0.800 6.4-162.2 -84.3 113.8 20.3 2.1 39.6 289 309 A I E -pr 265 309E 0 -25,-2.5 -23,-2.7 -2,-0.7 -20,-0.2 -0.838 65.1 -21.1-104.6 125.0 19.4 2.5 43.3 290 310 A C S S+ 0 0 0 19,-2.6 -24,-0.7 -2,-0.5 -21,-0.5 0.930 101.7 123.8 35.5 79.0 21.0 5.4 45.2 291 311 A G - 0 0 0 -22,-0.3 2,-0.3 -3,-0.3 -1,-0.1 -0.764 48.6-110.6-141.4-163.3 24.0 6.0 43.0 292 312 A G - 0 0 0 -26,-0.3 2,-0.3 -2,-0.2 -18,-0.2 -0.883 23.8-120.3-153.4 178.9 25.8 8.6 40.9 293 313 A G - 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