==== 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 04-DEC-07 3BJR . COMPND 2 MOLECULE: PUTATIVE CARBOXYLESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS PLANTARUM WCFS1; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 244 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10031.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 14 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.5 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 2 0 1 0 0 0 1 0 4 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 0 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 PARALLEL BRIDGES PER LADDER . 1 0 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 -2 A F 0 0 63 0, 0.0 2,-1.0 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 43.8 -7.6 39.2 5.2 2 -1 A Q - 0 0 115 1,-0.2 3,-0.1 3,-0.1 19,-0.0 -0.464 360.0 -44.4 -73.3 89.9 -6.9 35.4 5.4 3 0 A G S S+ 0 0 91 -2,-1.0 2,-0.3 1,-0.2 -1,-0.2 0.708 112.7 111.9 61.2 25.8 -8.5 33.9 8.7 4 1 A X S S- 0 0 24 -3,-0.4 2,-0.4 19,-0.1 -1,-0.2 -0.915 79.4 -98.8-129.9 149.9 -7.2 36.8 10.7 5 2 A Q E -A 22 0A 58 17,-2.0 17,-2.7 -2,-0.3 2,-0.5 -0.555 37.8-152.8 -69.3 122.6 -8.8 39.7 12.5 6 3 A V E -A 21 0A 61 -2,-0.4 2,-0.4 15,-0.2 15,-0.2 -0.870 15.5-173.5 -95.2 131.9 -8.5 42.7 10.2 7 4 A I E -A 20 0A 38 13,-2.5 13,-3.0 -2,-0.5 2,-0.4 -0.964 11.1-162.4-128.3 148.4 -8.4 46.0 12.1 8 5 A K E +A 19 0A 125 -2,-0.4 2,-0.4 11,-0.2 11,-0.2 -0.998 12.6 173.4-130.8 133.4 -8.5 49.5 10.8 9 6 A Q E -A 18 0A 82 9,-2.6 9,-2.5 -2,-0.4 2,-0.3 -0.965 25.0-141.8-146.6 120.4 -7.4 52.5 12.8 10 7 A K E -A 17 0A 112 -2,-0.4 7,-0.2 7,-0.2 2,-0.2 -0.625 31.9-124.7 -78.1 139.2 -7.0 56.2 11.8 11 8 A L > - 0 0 6 5,-2.4 3,-0.8 -2,-0.3 2,-0.2 -0.543 29.3 -97.4 -87.2 154.6 -4.0 57.7 13.5 12 9 A T T 3 S+ 0 0 122 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.509 99.1 6.1 -76.7 142.0 -4.4 60.8 15.6 13 10 A A T 3 S+ 0 0 84 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.764 119.2 75.5 59.4 33.3 -3.6 64.3 14.2 14 11 A T S < S- 0 0 18 -3,-0.8 -1,-0.2 2,-0.2 -3,-0.0 -0.978 79.5-128.1-161.7 159.1 -3.0 62.8 10.7 15 12 A C S S+ 0 0 57 -2,-0.3 49,-0.1 -3,-0.1 -1,-0.1 0.579 76.3 117.4 -87.0 -10.6 -4.9 61.5 7.7 16 13 A A - 0 0 0 -6,-0.1 -5,-2.4 -4,-0.1 2,-0.3 -0.191 48.9-162.5 -56.8 147.3 -2.6 58.4 8.0 17 14 A Q E -AB 10 64A 82 47,-2.0 47,-2.3 -7,-0.2 2,-0.4 -0.882 9.4-144.4-132.7 156.6 -4.3 55.2 8.6 18 15 A L E -AB 9 63A 4 -9,-2.5 -9,-2.6 -2,-0.3 2,-0.4 -0.986 6.5-165.3-124.0 136.9 -3.2 51.8 9.8 19 16 A T E -AB 8 62A 0 43,-2.3 43,-2.6 -2,-0.4 2,-0.4 -0.980 14.5-165.9-118.1 136.3 -4.5 48.4 8.8 20 17 A G E -AB 7 61A 0 -13,-3.0 -13,-2.5 -2,-0.4 2,-0.5 -0.947 18.9-158.8-129.4 147.7 -3.7 45.3 10.9 21 18 A Y E -AB 6 60A 6 39,-2.8 39,-2.3 -2,-0.4 2,-0.4 -0.976 23.4-173.2-123.2 110.8 -3.9 41.6 10.5 22 19 A L E A 5 0A 15 -17,-2.7 -17,-2.0 -2,-0.5 37,-0.1 -0.905 360.0 360.0-115.6 132.4 -3.9 39.8 13.8 23 20 A H 0 0 109 -2,-0.4 -19,-0.1 -19,-0.2 -20,-0.1 -0.579 360.0 360.0 -70.6 360.0 -3.7 36.1 14.6 24 ! 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 25 29 A T 0 0 175 0, 0.0 2,-0.3 0, 0.0 74,-0.0 0.000 360.0 360.0 360.0 172.0 2.2 34.5 24.5 26 30 A N - 0 0 73 72,-0.1 72,-0.3 0, 0.0 71,-0.1 -0.797 360.0-143.1-112.0 147.4 3.0 37.5 22.4 27 31 A L E -c 98 0A 48 70,-3.1 72,-2.5 -2,-0.3 75,-0.2 -0.757 22.2-104.4-111.5 154.5 4.1 37.8 18.8 28 32 A P E - 0 0 18 0, 0.0 31,-2.5 0, 0.0 2,-0.4 -0.323 38.9-142.9 -67.5 157.9 6.6 40.0 16.8 29 33 A A E -cd 103 59A 0 73,-2.8 75,-2.5 70,-0.3 2,-0.4 -0.982 10.1-157.5-130.8 139.2 4.9 42.6 14.7 30 34 A I E -cd 104 60A 0 29,-2.6 31,-2.9 -2,-0.4 2,-0.5 -0.939 2.3-160.1-112.0 138.2 5.7 44.1 11.3 31 35 A I E -cd 105 61A 0 73,-2.0 75,-2.7 -2,-0.4 2,-0.4 -0.955 15.9-148.3-117.2 107.5 4.5 47.5 10.0 32 36 A I E -cd 106 62A 0 29,-3.4 31,-2.5 -2,-0.5 75,-0.2 -0.633 8.8-165.6 -76.3 122.0 4.7 47.6 6.2 33 37 A V E -c 107 0A 0 73,-3.2 75,-2.8 -2,-0.4 82,-0.1 -0.942 24.2-157.4-107.9 100.1 5.6 51.1 4.9 34 38 A P - 0 0 0 0, 0.0 77,-0.2 0, 0.0 31,-0.1 -0.028 10.0-111.6 -78.1-178.1 4.7 50.7 1.2 35 39 A G + 0 0 1 75,-0.2 74,-0.1 7,-0.1 11,-0.1 0.070 47.8 137.0 -87.7-153.9 5.7 52.5 -1.9 36 40 A G S >> S- 0 0 9 5,-0.2 3,-2.3 3,-0.1 4,-1.1 0.462 73.5-101.7 122.7 4.9 3.6 54.7 -4.1 37 41 A S T 34 S- 0 0 65 1,-0.3 4,-0.1 2,-0.2 -2,-0.1 0.625 70.3 -75.7 58.3 17.7 5.8 57.8 -5.0 38 42 A Y T 34 S+ 0 0 0 2,-0.4 30,-2.9 29,-0.1 31,-0.4 0.577 124.5 94.2 67.2 15.7 3.9 59.8 -2.4 39 43 A T T <4 S- 0 0 82 -3,-2.3 2,-0.3 1,-0.4 -2,-0.2 0.681 97.6 -13.6-104.0 -24.6 1.0 60.0 -4.8 40 44 A H < - 0 0 94 -4,-1.1 -2,-0.4 -5,-0.0 -1,-0.4 -0.940 65.6-111.2-163.5 167.2 -1.1 57.0 -3.7 41 45 A I - 0 0 19 -2,-0.3 2,-1.4 -3,-0.1 -5,-0.2 -0.988 25.7-136.1-112.0 123.4 -0.7 53.9 -1.5 42 46 A P > - 0 0 24 0, 0.0 4,-2.3 0, 0.0 -7,-0.1 -0.686 24.7-173.9 -77.7 93.5 -0.7 50.6 -3.5 43 47 A V H > S+ 0 0 54 -2,-1.4 4,-2.9 1,-0.2 5,-0.2 0.879 77.7 53.6 -62.3 -40.5 -3.0 48.8 -1.1 44 48 A A H > S+ 0 0 64 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.868 110.7 47.7 -63.2 -39.0 -2.7 45.4 -2.9 45 49 A Q H > S+ 0 0 22 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.931 113.3 49.1 -63.3 -47.0 1.1 45.6 -2.6 46 50 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.927 113.0 45.6 -59.1 -50.9 0.8 46.6 1.1 47 51 A E H X S+ 0 0 67 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.894 112.2 50.4 -60.6 -44.9 -1.6 43.8 2.0 48 52 A S H X S+ 0 0 28 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.2 0.883 112.3 46.5 -62.7 -44.7 0.4 41.1 0.2 49 53 A L H X S+ 0 0 0 -4,-2.2 4,-1.0 2,-0.2 -1,-0.2 0.845 110.3 53.8 -67.6 -33.0 3.6 42.1 1.9 50 54 A A H >X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 3,-0.7 0.951 110.0 48.9 -64.7 -43.4 1.8 42.2 5.2 51 55 A X H 3X S+ 0 0 24 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.808 98.7 66.1 -66.1 -30.2 0.6 38.6 4.5 52 56 A A H 3< S+ 0 0 0 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.908 114.4 31.8 -57.3 -38.0 4.1 37.5 3.6 53 57 A F H X<>S+ 0 0 0 -4,-1.0 3,-2.3 -3,-0.7 5,-1.0 0.882 112.3 61.4 -86.7 -39.7 5.0 38.1 7.3 54 58 A A H ><5S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.3 4,-0.4 0.892 100.8 57.4 -53.5 -41.1 1.7 37.3 8.8 55 59 A G T 3<5S+ 0 0 57 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.564 104.0 53.1 -68.6 -11.8 2.1 33.8 7.4 56 60 A H T < 5S- 0 0 80 -3,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 -0.211 132.4 -76.9-118.3 37.1 5.4 33.3 9.3 57 61 A G T < 5S+ 0 0 34 -3,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.730 89.3 124.7 82.4 26.7 4.2 34.2 12.9 58 62 A Y < - 0 0 4 -5,-1.0 2,-0.5 -4,-0.4 -1,-0.2 -0.868 62.5-128.5-115.3 147.3 3.9 38.0 12.8 59 63 A Q E - d 0 29A 1 -31,-2.5 -29,-2.6 -2,-0.3 2,-0.4 -0.836 44.2-153.5 -80.3 131.3 1.1 40.3 13.6 60 64 A A E +Bd 21 30A 0 -39,-2.3 -39,-2.8 -2,-0.5 2,-0.3 -0.950 21.0 175.6-122.9 132.7 1.3 42.4 10.4 61 65 A F E -Bd 20 31A 1 -31,-2.9 -29,-3.4 -2,-0.4 2,-0.4 -0.860 15.1-151.0-124.1 159.1 0.2 46.0 9.7 62 66 A Y E -Bd 19 32A 7 -43,-2.6 -43,-2.3 -2,-0.3 2,-0.6 -0.996 12.6-140.7-130.4 143.0 0.4 48.4 6.8 63 67 A L E -B 18 0A 0 -31,-2.5 2,-1.0 -2,-0.4 -45,-0.2 -0.916 6.0-161.6-104.6 118.3 0.6 52.1 7.0 64 68 A E E -B 17 0A 51 -47,-2.3 -47,-2.0 -2,-0.6 3,-0.1 -0.855 33.2-167.7 -90.1 95.4 -1.3 54.4 4.5 65 69 A Y - 0 0 4 -2,-1.0 12,-0.0 -49,-0.2 14,-0.0 -0.292 29.6 -66.2 -83.5 170.0 0.9 57.5 5.2 66 70 A T - 0 0 5 11,-0.2 2,-0.2 -2,-0.1 -1,-0.2 -0.323 54.4-157.4 -58.2 134.7 0.4 61.2 4.2 67 71 A L >> - 0 0 25 -28,-0.1 4,-1.8 -3,-0.1 3,-0.9 -0.598 32.6-100.6-111.0 170.7 0.5 61.8 0.5 68 72 A L T 34 S+ 0 0 30 -30,-2.9 -29,-0.1 1,-0.3 -1,-0.1 0.831 123.3 57.1 -60.1 -33.1 1.3 64.9 -1.6 69 73 A T T 34 S+ 0 0 120 -31,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.739 107.9 47.3 -70.2 -23.9 -2.4 65.3 -2.1 70 74 A D T <4 S+ 0 0 84 -3,-0.9 2,-0.3 1,-0.3 -2,-0.2 0.822 129.2 3.9 -82.5 -36.4 -3.0 65.5 1.7 71 75 A Q < - 0 0 86 -4,-1.8 -1,-0.3 4,-0.0 6,-0.0 -0.962 69.0-134.2-157.1 132.3 -0.2 67.9 2.3 72 76 A Q S S+ 0 0 153 -2,-0.3 2,-0.2 1,-0.2 83,-0.1 -0.987 95.8 32.3-139.2 128.6 2.3 70.0 0.3 73 77 A P S S- 0 0 71 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.549 85.8-149.7 -68.0 149.6 5.2 70.2 1.0 74 78 A L > + 0 0 0 78,-0.6 3,-1.5 1,-0.2 2,-0.2 0.890 29.3 178.2 -58.2 -38.0 5.0 66.7 2.3 75 79 A G B 3 -H 154 0B 0 79,-1.6 79,-1.7 77,-0.4 -1,-0.2 -0.523 62.1 -43.8 71.4-140.7 7.7 67.5 4.8 76 80 A L T >> S+ 0 0 4 82,-0.2 4,-1.9 -2,-0.2 3,-1.2 0.043 97.6 126.5-106.0 22.7 8.5 64.6 7.1 77 81 A A H <> S+ 0 0 10 -3,-1.5 4,-2.7 1,-0.3 -11,-0.2 0.818 70.2 52.3 -51.6 -43.2 4.8 63.8 7.6 78 82 A P H 3> S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.800 108.1 50.5 -64.9 -29.0 5.2 60.1 6.6 79 83 A V H <> S+ 0 0 1 -3,-1.2 4,-1.6 2,-0.2 -2,-0.2 0.870 112.9 46.4 -73.3 -40.9 8.1 59.6 9.1 80 84 A L H X S+ 0 0 22 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.928 109.0 55.7 -64.3 -45.9 6.0 61.1 11.8 81 85 A D H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.851 105.2 52.5 -53.4 -42.1 3.0 58.9 10.7 82 86 A L H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.904 108.2 51.5 -62.9 -40.5 5.3 55.8 11.2 83 87 A G H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.910 107.3 52.0 -60.2 -43.6 6.1 57.0 14.7 84 88 A R H X S+ 0 0 53 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.893 111.1 49.1 -60.2 -38.8 2.4 57.4 15.5 85 89 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.908 111.1 47.3 -67.4 -46.0 1.9 53.8 14.3 86 90 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.931 112.3 50.9 -62.5 -46.1 4.8 52.4 16.4 87 91 A N H X S+ 0 0 22 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.891 109.4 50.0 -58.8 -42.2 3.5 54.2 19.4 88 92 A L H X S+ 0 0 22 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.902 108.3 53.5 -65.0 -43.7 -0.0 52.9 18.9 89 93 A L H < S+ 0 0 0 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.937 111.9 44.6 -57.2 -47.6 1.3 49.3 18.6 90 94 A R H < S+ 0 0 33 -4,-2.2 3,-0.5 46,-0.3 4,-0.3 0.808 111.4 52.9 -63.9 -37.4 3.2 49.6 21.9 91 95 A Q H < S+ 0 0 105 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.771 120.5 32.9 -62.9 -34.6 0.3 51.2 23.7 92 96 A H S X S+ 0 0 56 -4,-1.6 4,-1.3 -3,-0.3 -2,-0.2 0.110 82.1 117.4-114.2 20.7 -2.0 48.4 22.6 93 97 A A H >>S+ 0 0 6 -3,-0.5 5,-2.4 1,-0.2 4,-0.6 0.886 72.7 53.2 -56.8 -45.0 0.4 45.5 22.6 94 98 A A H >45S+ 0 0 75 -4,-0.3 3,-0.9 1,-0.2 -1,-0.2 0.934 111.9 42.7 -60.9 -47.8 -1.3 43.6 25.3 95 99 A E H 345S+ 0 0 116 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.667 119.8 44.8 -77.1 -12.9 -4.8 43.5 23.6 96 100 A W H 3<5S- 0 0 35 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.276 109.7-119.2-108.4 6.0 -3.2 42.8 20.2 97 101 A H T <<5 + 0 0 96 -3,-0.9 -70,-3.1 -4,-0.6 2,-0.4 0.833 59.8 153.2 54.8 40.9 -0.7 40.1 21.5 98 102 A I E < -c 27 0A 0 -5,-2.4 -1,-0.2 -72,-0.3 -2,-0.1 -0.828 50.1-131.6-100.0 136.2 2.3 42.0 20.4 99 103 A D E > - 0 0 46 -72,-2.5 3,-2.2 -2,-0.4 -70,-0.3 -0.771 20.4-148.9 -80.2 114.1 5.6 41.6 22.0 100 104 A P E 3 S+ 0 0 41 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.583 93.0 58.8 -70.9 -5.0 6.4 45.4 22.5 101 105 A Q E 3 S+ 0 0 138 1,-0.2 -2,-0.0 38,-0.0 -11,-0.0 0.269 100.1 57.6-100.7 11.8 10.1 44.7 22.1 102 106 A Q E < + 0 0 37 -3,-2.2 -73,-2.8 -75,-0.2 2,-0.6 -0.354 65.5 136.9-138.8 55.0 9.7 43.2 18.6 103 107 A I E -c 29 0A 0 -3,-0.3 37,-2.4 -75,-0.2 38,-0.7 -0.930 29.1-177.1-104.0 117.3 8.1 45.9 16.6 104 108 A T E -c 30 0A 2 -75,-2.5 -73,-2.0 -2,-0.6 2,-0.3 -0.950 19.5-148.5-126.9 108.1 9.8 46.2 13.1 105 109 A P E -c 31 0A 0 0, 0.0 38,-2.0 0, 0.0 2,-0.5 -0.635 13.2-161.8 -68.5 135.3 9.0 48.7 10.4 106 110 A A E -ce 32 143A 0 -75,-2.7 -73,-3.2 -2,-0.3 2,-0.4 -0.972 9.3-163.5-124.1 106.4 9.5 47.2 6.9 107 111 A G E -ce 33 144A 0 36,-2.9 38,-3.2 -2,-0.5 2,-0.4 -0.791 5.2-167.6-102.6 135.2 9.8 49.9 4.2 108 112 A F E > - e 0 145A 0 -75,-2.8 3,-1.9 -2,-0.4 38,-0.2 -0.966 56.6 -30.3-122.2 136.2 9.5 49.4 0.5 109 113 A S T >> S- 0 0 23 36,-1.9 3,-2.2 -2,-0.4 39,-1.5 -0.350 139.7 -2.0 57.0-131.8 10.4 51.7 -2.5 110 114 A V H >> S+ 0 0 3 1,-0.3 4,-1.7 37,-0.2 3,-1.2 0.865 132.4 65.8 -59.4 -31.6 9.9 55.3 -1.1 111 115 A G H <> S+ 0 0 0 -3,-1.9 4,-2.4 1,-0.3 -1,-0.3 0.758 92.8 62.5 -58.2 -24.6 8.7 53.7 2.2 112 116 A G H <> S+ 0 0 0 -3,-2.2 4,-2.2 -5,-0.2 -1,-0.3 0.808 102.5 49.1 -67.7 -31.7 12.3 52.4 2.5 113 117 A H H S+ 0 0 15 -4,-1.7 5,-2.6 -3,-0.1 6,-0.6 0.356 82.1 103.8-119.6 2.5 15.4 60.2 14.0 122 126 A W T <>S+ 0 0 17 -4,-2.0 5,-0.9 1,-0.2 15,-0.1 0.883 91.6 39.7 -53.7 -43.8 13.0 58.1 16.2 123 127 A A T 5S+ 0 0 20 -4,-0.2 -1,-0.2 3,-0.1 -2,-0.1 0.609 131.1 24.4 -82.9 -15.9 14.7 59.1 19.5 124 128 A T T >5S+ 0 0 58 -3,-0.5 4,-2.4 3,-0.1 5,-0.3 0.611 128.9 16.9-113.0 -93.7 15.3 62.7 18.5 125 129 A R H >5S+ 0 0 91 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.853 127.1 47.2 -62.8 -38.3 13.2 64.5 15.9 126 130 A V H >XS+ 0 0 5 -5,-0.9 5,-2.1 -6,-0.6 4,-1.1 0.909 116.1 42.7 -55.5 -46.0 10.0 62.0 19.7 128 132 A T H <5S+ 0 0 93 -4,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.898 115.2 48.9 -75.3 -37.2 10.2 65.8 20.0 129 133 A E H <5S+ 0 0 68 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.903 122.0 34.7 -66.9 -40.6 7.7 66.5 17.0 130 134 A L H <5S- 0 0 33 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.615 103.5-132.1 -85.3 -12.3 5.2 64.0 18.4 131 135 A N T <5 + 0 0 149 -4,-1.1 2,-0.3 -5,-0.3 -3,-0.2 0.959 60.9 137.5 54.9 53.4 6.0 64.8 22.0 132 136 A V < - 0 0 33 -5,-2.1 -1,-0.3 -6,-0.2 -2,-0.1 -0.956 63.9 -97.8-126.8 145.9 6.2 61.1 22.7 133 137 A T >> - 0 0 85 -2,-0.3 3,-1.1 1,-0.1 4,-0.7 -0.347 32.4-123.1 -64.6 139.5 8.9 59.5 24.8 134 138 A P H >> S+ 0 0 57 0, 0.0 3,-1.3 0, 0.0 4,-0.5 0.854 107.6 62.3 -51.8 -39.1 11.7 58.0 22.7 135 139 A A H >4 S+ 0 0 73 1,-0.3 3,-0.8 2,-0.2 -12,-0.0 0.830 99.3 55.9 -57.7 -32.2 11.3 54.5 24.2 136 140 A X H <4 S+ 0 0 54 -3,-1.1 -46,-0.3 1,-0.2 -1,-0.3 0.723 108.9 47.0 -74.8 -20.5 7.7 54.3 22.8 137 141 A L H << S+ 0 0 0 -3,-1.3 -1,-0.2 -4,-0.7 -2,-0.2 0.392 80.5 133.5-100.3 0.3 8.9 55.1 19.3 138 142 A K << - 0 0 76 -3,-0.8 2,-0.7 -4,-0.5 -35,-0.2 -0.281 48.7-146.1 -61.3 125.8 11.8 52.6 19.2 139 143 A P - 0 0 0 0, 0.0 -35,-0.2 0, 0.0 3,-0.1 -0.844 6.2-154.0 -85.9 121.9 12.0 50.4 16.1 140 144 A N S S- 0 0 24 -37,-2.4 2,-0.3 -2,-0.7 -36,-0.2 0.901 76.8 -14.5 -67.1 -38.1 13.3 47.2 17.4 141 145 A N S S- 0 0 8 -38,-0.7 2,-0.3 35,-0.1 37,-0.2 -0.909 70.5-139.4-143.2 167.4 14.8 46.4 14.0 142 146 A V E - f 0 178A 0 35,-2.3 37,-2.4 -2,-0.3 2,-0.4 -0.974 7.1-158.5-127.5 149.7 14.2 48.0 10.5 143 147 A V E -ef 106 179A 0 -38,-2.0 -36,-2.9 -2,-0.3 2,-0.4 -0.994 4.9-167.1-122.7 133.2 13.8 46.3 7.2 144 148 A L E -ef 107 180A 3 35,-2.8 37,-2.2 -2,-0.4 2,-0.4 -0.996 4.2-174.6-125.0 121.4 14.4 48.1 3.8 145 149 A G E S-ef 108 181A 0 -38,-3.2 -36,-1.9 -2,-0.4 37,-0.2 -0.984 71.6 -22.1-120.9 120.2 13.3 46.5 0.5 146 150 A Y S S- 0 0 4 35,-2.4 -37,-0.2 -2,-0.4 -34,-0.2 0.901 83.6-155.2 46.2 54.7 14.1 48.2 -2.8 147 151 A P - 0 0 17 0, 0.0 2,-0.4 0, 0.0 -37,-0.2 -0.307 12.3-168.9 -63.4 141.9 14.5 51.6 -1.1 148 152 A V - 0 0 34 -39,-1.5 2,-0.5 45,-0.1 -35,-0.4 -0.998 11.8-146.5-132.6 126.4 14.0 54.6 -3.4 149 153 A I + 0 0 83 -2,-0.4 -39,-0.1 -36,-0.1 -38,-0.0 -0.825 19.6 179.8 -93.0 127.2 14.8 58.2 -2.5 150 154 A S > - 0 0 18 -2,-0.5 3,-0.8 -40,-0.1 -2,-0.0 -0.952 33.4-133.1-123.7 147.9 12.5 60.9 -4.0 151 155 A P T 3 S+ 0 0 100 0, 0.0 12,-0.1 0, 0.0 -1,-0.0 0.387 93.2 86.1 -79.9 6.0 12.8 64.6 -3.4 152 156 A L T 3 S+ 0 0 70 -78,-0.1 -78,-0.6 -79,-0.1 2,-0.5 0.812 73.3 78.8 -74.4 -29.3 9.1 64.9 -2.6 153 157 A L S < S+ 0 0 1 -3,-0.8 2,-0.2 -79,-0.1 -77,-0.2 -0.702 90.2 30.1 -78.9 121.3 9.8 64.0 1.0 154 158 A G B H 75 0B 4 -79,-1.7 -79,-1.6 -2,-0.5 7,-0.2 -0.705 360.0 360.0 126.1-177.1 11.1 67.2 2.8 155 159 A F 0 0 104 5,-1.8 6,-0.3 -2,-0.2 -1,-0.1 0.131 360.0 360.0-111.5 360.0 10.8 71.0 2.7 156 ! 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 0.0 157 168 A T 0 0 118 0, 0.0 2,-0.2 0, 0.0 -28,-0.0 0.000 360.0 360.0 360.0 -53.4 9.4 73.1 14.5 158 169 A W + 0 0 36 -29,-0.0 -82,-0.2 2,-0.0 -29,-0.0 -0.725 360.0 164.3-151.1 90.5 11.4 70.7 12.2 159 170 A T + 0 0 75 -2,-0.2 2,-0.4 -84,-0.1 -84,-0.0 -0.574 7.0 163.3-115.6 68.0 11.9 72.0 8.6 160 171 A P - 0 0 5 0, 0.0 -5,-1.8 0, 0.0 -85,-0.0 -0.715 27.9-140.3 -90.2 130.8 14.7 70.0 6.7 161 172 A T > - 0 0 55 -2,-0.4 3,-1.1 -6,-0.3 -7,-0.1 -0.291 40.0 -89.0 -78.3 165.8 15.0 70.3 2.9 162 173 A P G > S+ 0 0 58 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.702 124.3 68.1 -47.9 -24.2 15.8 67.2 0.7 163 174 A N G > S+ 0 0 61 1,-0.2 3,-0.6 2,-0.1 -9,-0.0 0.918 103.1 42.2 -61.3 -46.4 19.6 68.1 1.2 164 175 A E G < S+ 0 0 94 -3,-1.1 -1,-0.2 1,-0.2 -10,-0.0 -0.123 98.4 79.1 -94.9 33.5 19.6 67.2 4.9 165 176 A L G < + 0 0 4 -3,-1.1 2,-1.1 -12,-0.1 -1,-0.2 -0.032 51.2 129.0-125.2 23.3 17.4 64.0 4.4 166 177 A A X> - 0 0 19 -3,-0.6 3,-2.2 1,-0.2 4,-0.6 -0.771 49.6-156.5 -77.3 101.3 20.3 61.9 3.2 167 178 A A G >4 S+ 0 0 8 -2,-1.1 3,-0.8 1,-0.3 -1,-0.2 0.810 90.7 60.3 -51.7 -31.8 19.5 59.0 5.7 168 179 A D G 34 S+ 0 0 57 1,-0.2 3,-0.3 2,-0.2 -1,-0.3 0.626 99.6 55.8 -73.0 -16.3 23.2 57.9 5.3 169 180 A Q G <4 S+ 0 0 125 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.604 108.6 46.5 -89.5 -14.4 24.4 61.3 6.7 170 181 A H S << S+ 0 0 56 -3,-0.8 2,-0.4 -4,-0.6 -1,-0.2 -0.045 71.4 136.4-122.8 28.2 22.4 61.0 10.0 171 182 A V + 0 0 26 -3,-0.3 2,-0.2 2,-0.0 -51,-0.1 -0.676 30.6 166.9 -74.4 126.8 23.2 57.5 11.1 172 183 A N > - 0 0 48 -2,-0.4 3,-1.8 32,-0.0 -2,-0.1 -0.735 53.4 -83.0-135.5-178.1 23.8 57.7 14.9 173 184 A S T 3 S+ 0 0 106 1,-0.3 -2,-0.0 -2,-0.2 -53,-0.0 0.635 122.1 64.4 -70.3 -16.3 24.2 55.3 17.8 174 185 A D T 3 S+ 0 0 63 -54,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.510 74.3 112.9 -83.0 -8.3 20.4 55.2 18.2 175 186 A N < - 0 0 4 -3,-1.8 -55,-0.1 -55,-0.1 3,-0.1 -0.514 62.0-143.5 -64.1 134.3 20.0 53.5 14.8 176 187 A Q - 0 0 33 -2,-0.2 -35,-0.1 1,-0.2 -36,-0.1 -0.485 36.2 -58.2 -95.7 164.5 18.8 50.0 15.3 177 188 A P - 0 0 25 0, 0.0 -35,-2.3 0, 0.0 2,-0.4 -0.154 59.0-155.3 -48.8 137.0 19.7 46.8 13.5 178 189 A T E -fg 142 208A 0 29,-2.3 31,-2.0 -37,-0.2 2,-0.5 -0.968 17.8-164.8-130.4 128.5 18.9 47.0 9.8 179 190 A F E -fg 143 209A 0 -37,-2.4 -35,-2.8 -2,-0.4 2,-0.4 -0.941 21.5-178.5-109.1 122.6 18.2 44.4 7.1 180 191 A I E +fg 144 210A 0 29,-2.7 31,-2.0 -2,-0.5 2,-0.3 -0.964 12.9 169.1-126.3 138.6 18.4 45.8 3.6 181 192 A W E +fg 145 211A 0 -37,-2.2 -35,-2.4 -2,-0.4 2,-0.3 -0.990 12.4 148.0-141.0 144.9 17.9 44.3 0.1 182 193 A T E - 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