==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-MAY-10 3AIK . COMPND 2 MOLECULE: 303AA LONG HYPOTHETICAL ESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS TOKODAII; . AUTHOR C.ANGKAWIDJAJA,S.KANAYA . 1132 4 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39207.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 869 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 126 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 5.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 119 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 133 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 366 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.4 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 3 1 0 0 0 0 8 3 5 0 8 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 5 10 2 3 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 . 0 0 2 4 0 0 0 4 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 0 0 0 0 0 0 0 0 2 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 A 0 0 103 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.9 14.5 5.8 7.3 2 22 A S > - 0 0 55 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.288 360.0-106.0 -69.9 167.4 14.5 8.9 9.5 3 23 A V H > S+ 0 0 33 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.918 125.2 52.1 -59.1 -43.1 15.7 8.9 13.2 4 24 A E H > S+ 0 0 110 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.911 108.1 50.8 -58.7 -45.8 12.0 9.0 14.2 5 25 A E H > S+ 0 0 117 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.952 112.2 46.7 -58.0 -45.5 11.2 6.1 11.9 6 26 A I H X S+ 0 0 52 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.901 108.9 53.9 -66.2 -40.0 14.0 4.0 13.5 7 27 A R H X S+ 0 0 31 -4,-2.7 4,-1.3 -5,-0.2 -1,-0.2 0.909 111.9 46.1 -56.8 -43.0 13.0 4.9 17.0 8 28 A S H X S+ 0 0 53 -4,-2.2 4,-2.8 1,-0.2 3,-0.4 0.950 107.4 57.2 -64.3 -48.8 9.5 3.7 16.2 9 29 A L H X S+ 0 0 66 -4,-2.9 4,-2.9 1,-0.3 5,-0.2 0.836 101.8 56.5 -48.8 -42.8 10.9 0.5 14.6 10 30 A F H X S+ 0 0 67 -4,-2.0 4,-1.7 2,-0.2 -1,-0.3 0.919 109.9 44.5 -54.0 -51.7 12.7 -0.3 17.9 11 31 A K H X S+ 0 0 99 -4,-1.3 4,-0.8 -3,-0.4 -2,-0.2 0.941 113.7 51.1 -59.5 -45.3 9.4 -0.2 19.7 12 32 A Q H >< S+ 0 0 106 -4,-2.8 3,-0.8 1,-0.2 -2,-0.2 0.890 108.8 49.6 -55.9 -48.8 7.7 -2.2 17.0 13 33 A F H >< S+ 0 0 136 -4,-2.9 3,-1.9 1,-0.2 4,-0.2 0.888 103.1 63.5 -61.6 -33.4 10.4 -4.9 17.0 14 34 A S H >< S+ 0 0 12 -4,-1.7 3,-1.5 1,-0.3 -1,-0.2 0.756 89.3 67.2 -60.8 -29.4 10.0 -5.1 20.8 15 35 A S T << S+ 0 0 84 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.515 94.1 59.0 -74.7 -2.0 6.4 -6.3 20.4 16 36 A L T < S+ 0 0 136 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.457 90.5 82.9-101.0 -9.8 7.7 -9.5 18.9 17 37 A T S < S- 0 0 24 -3,-1.5 242,-0.0 -4,-0.2 241,-0.0 -0.884 90.1-113.2 -95.4 125.7 9.7 -10.3 22.1 18 38 A P - 0 0 92 0, 0.0 2,-0.7 0, 0.0 -2,-0.1 -0.206 23.4-137.7 -59.5 138.1 7.7 -12.0 24.9 19 39 A R - 0 0 90 -4,-0.1 2,-0.1 55,-0.1 53,-0.1 -0.928 18.0-137.3 -98.7 110.7 7.4 -9.9 28.0 20 40 A E - 0 0 57 -2,-0.7 2,-0.1 51,-0.3 58,-0.0 -0.443 23.8-107.8 -61.9 142.7 7.9 -12.0 31.1 21 41 A E - 0 0 142 -2,-0.1 2,-0.2 54,-0.0 24,-0.1 -0.454 41.3-175.6 -62.9 136.2 5.5 -11.4 34.0 22 42 A V - 0 0 13 -2,-0.1 3,-0.1 22,-0.1 52,-0.0 -0.634 38.0 -96.0-121.3-171.3 7.0 -9.5 36.9 23 43 A G S S- 0 0 47 20,-2.5 2,-0.3 1,-0.3 22,-0.1 0.976 92.5 -24.3 -72.1 -51.4 5.7 -8.6 40.4 24 44 A K E -A 43 0A 112 19,-1.0 19,-3.2 -3,-0.0 2,-0.4 -0.976 55.5-152.7-165.2 143.5 4.5 -5.0 39.7 25 45 A I E +A 42 0A 56 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.998 15.1 174.0-125.6 137.1 5.4 -2.2 37.3 26 46 A E E -A 41 0A 70 15,-2.2 15,-3.2 -2,-0.4 2,-0.5 -0.991 24.4-137.8-143.4 138.9 5.0 1.5 37.8 27 47 A D E +A 40 0A 75 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.814 30.4 178.5 -92.4 124.2 6.0 4.6 35.7 28 48 A I E -A 39 0A 24 11,-2.8 11,-2.2 -2,-0.5 2,-0.4 -0.773 26.6-130.4-115.6 169.8 7.6 7.4 37.7 29 49 A T E -A 38 0A 93 -2,-0.3 9,-0.2 9,-0.2 7,-0.0 -0.997 18.2-153.8-121.2 122.2 9.0 10.9 37.0 30 50 A I E -A 37 0A 0 7,-3.1 7,-3.0 -2,-0.4 2,-0.7 -0.865 22.1-122.3 -96.9 124.5 12.4 11.7 38.5 31 51 A P E -A 36 0A 79 0, 0.0 5,-0.2 0, 0.0 2,-0.2 -0.642 38.4-165.4 -70.1 107.7 13.1 15.4 39.1 32 52 A G - 0 0 20 3,-1.8 71,-0.1 -2,-0.7 70,-0.0 -0.575 31.7-118.2 -91.5 165.7 16.2 16.1 37.1 33 53 A S S S+ 0 0 85 -2,-0.2 -1,-0.1 1,-0.2 3,-0.1 0.826 116.0 15.6 -68.5 -31.2 18.7 19.0 37.2 34 54 A E S S+ 0 0 115 1,-0.3 2,-0.3 65,-0.1 -1,-0.2 0.468 135.6 2.9-119.5 -7.7 17.8 19.8 33.5 35 55 A T S S- 0 0 50 -5,-0.1 -3,-1.8 68,-0.0 2,-0.6 -0.983 75.5 -92.3-164.6 166.3 14.7 17.9 32.9 36 56 A N E -A 31 0A 115 -2,-0.3 2,-0.7 -5,-0.2 67,-0.0 -0.892 46.5-145.7 -92.8 122.3 12.0 15.6 34.4 37 57 A I E -A 30 0A 2 -7,-3.0 -7,-3.1 -2,-0.6 2,-0.1 -0.808 1.2-141.4-101.9 111.9 13.2 12.1 33.7 38 58 A K E +A 29 0A 86 -2,-0.7 50,-2.9 50,-0.4 2,-0.3 -0.469 26.8 177.1 -64.1 137.8 10.7 9.3 33.0 39 59 A A E -AB 28 87A 0 -11,-2.2 -11,-2.8 48,-0.2 2,-0.5 -0.995 24.4-141.2-140.6 147.9 11.6 5.9 34.6 40 60 A R E -AB 27 86A 19 46,-2.3 46,-2.7 -2,-0.3 2,-0.5 -0.959 15.5-153.4-109.4 127.1 9.9 2.5 34.7 41 61 A V E -AB 26 85A 0 -15,-3.2 -15,-2.2 -2,-0.5 2,-0.5 -0.870 8.4-166.9-101.8 119.9 10.2 0.6 38.0 42 62 A Y E -AB 25 84A 0 42,-3.2 42,-2.3 -2,-0.5 -17,-0.2 -0.954 2.7-161.5-108.1 121.4 10.0 -3.2 37.8 43 63 A Y E -A 24 0A 29 -19,-3.2 -20,-2.5 -2,-0.5 -19,-1.0 -0.803 18.5-125.9 -95.0 143.9 9.4 -5.2 41.0 44 64 A P - 0 0 5 0, 0.0 -22,-0.1 0, 0.0 34,-0.1 -0.207 24.0-109.1 -79.8 175.2 10.3 -8.9 41.0 45 65 A K S S+ 0 0 126 -24,-0.1 -23,-0.0 -22,-0.1 33,-0.0 0.654 92.5 87.6 -78.8 -18.0 7.8 -11.6 42.1 46 66 A T S S- 0 0 52 1,-0.1 2,-0.3 36,-0.0 -23,-0.0 -0.226 87.0 -95.1 -76.2 168.3 9.7 -12.2 45.4 47 67 A Q - 0 0 184 1,-0.1 -1,-0.1 2,-0.0 -2,-0.1 -0.621 55.4 -93.5 -84.0 147.0 9.2 -10.4 48.7 48 68 A G S S+ 0 0 28 -2,-0.3 2,-0.2 -4,-0.1 -1,-0.1 -0.031 78.9 102.1 -74.4-177.4 11.4 -7.5 49.7 49 69 A P - 0 0 47 0, 0.0 2,-0.2 0, 0.0 71,-0.2 0.573 69.6-172.8 -66.4 167.1 13.6 -5.9 50.9 50 70 A Y - 0 0 25 69,-2.9 72,-2.5 68,-0.2 73,-0.5 -0.721 31.0-121.7-125.3 162.2 15.4 -5.6 47.5 51 71 A G - 0 0 0 30,-0.3 32,-2.6 71,-0.2 2,-0.5 -0.662 35.6-135.6 -90.6 157.5 18.5 -4.5 45.8 52 72 A V E -cd 83 124A 0 71,-2.1 73,-2.9 -2,-0.3 2,-0.6 -0.991 12.6-161.2-125.1 122.3 17.9 -1.9 43.1 53 73 A L E -cd 84 125A 2 30,-2.9 32,-2.9 -2,-0.5 2,-0.6 -0.964 8.6-153.0 -99.7 120.7 19.5 -1.9 39.7 54 74 A V E -cd 85 126A 0 71,-3.0 73,-2.4 -2,-0.6 2,-0.4 -0.855 22.0-159.3 -91.1 123.1 19.3 1.4 37.8 55 75 A Y E -cd 86 127A 3 30,-2.9 32,-2.3 -2,-0.6 2,-0.6 -0.904 16.1-163.5-116.9 135.0 19.4 0.4 34.1 56 76 A Y E -cd 87 128A 0 71,-2.5 73,-1.0 -2,-0.4 80,-0.2 -0.944 21.2-136.0-118.6 113.6 20.4 2.5 31.1 57 77 A H - 0 0 0 -2,-0.6 4,-0.1 30,-0.5 78,-0.1 -0.287 16.8-128.7 -63.2 155.5 19.3 1.2 27.7 58 78 A G + 0 0 0 73,-0.2 72,-0.2 74,-0.1 -1,-0.1 -0.132 50.2 130.6 -91.2-168.8 21.6 1.2 24.7 59 79 A G S >> S- 0 0 13 70,-0.1 4,-3.0 5,-0.1 3,-1.8 0.551 88.0 -78.5 123.9 26.7 21.0 2.6 21.2 60 80 A G T 34 S- 0 0 9 1,-0.3 130,-0.2 2,-0.2 -2,-0.1 0.634 79.1 -73.0 66.4 22.0 24.1 4.7 20.4 61 81 A F T 34 S+ 0 0 14 2,-0.3 31,-3.0 -4,-0.1 -1,-0.3 0.454 135.8 68.0 69.3 3.3 22.8 7.7 22.5 62 82 A V T <4 S+ 0 0 0 -3,-1.8 -2,-0.2 29,-0.2 2,-0.2 0.674 96.3 37.8-122.7 -33.2 20.2 8.3 19.8 63 83 A L S < S+ 0 0 12 -4,-3.0 -2,-0.3 -57,-0.0 -56,-0.1 -0.539 78.5 55.7-122.8 176.8 17.8 5.3 19.8 64 84 A G - 0 0 3 -2,-0.2 2,-0.3 -57,-0.1 -5,-0.1 0.089 46.9-175.5 80.6 169.9 16.1 3.0 22.2 65 85 A D > - 0 0 15 1,-0.1 4,-1.7 -55,-0.1 5,-0.2 -0.963 46.8 -69.5 175.1 174.9 13.8 3.9 25.1 66 86 A I T 4 S+ 0 0 0 -2,-0.3 4,-0.3 1,-0.2 7,-0.2 0.878 125.5 49.8 -56.2 -43.2 11.9 2.4 28.0 67 87 A E T >4 S+ 0 0 69 1,-0.2 3,-1.2 2,-0.2 -1,-0.2 0.932 110.7 45.7 -65.2 -50.6 9.3 0.7 25.8 68 88 A S T 34 S+ 0 0 17 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.801 117.9 46.1 -66.0 -23.9 11.7 -1.1 23.4 69 89 A Y T 3X S+ 0 0 17 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.410 84.9 98.9 -96.6 4.4 13.8 -2.2 26.4 70 90 A D H <> S+ 0 0 4 -3,-1.2 4,-2.5 -4,-0.3 5,-0.2 0.915 79.5 51.1 -61.8 -43.7 10.8 -3.4 28.4 71 91 A P H > S+ 0 0 6 0, 0.0 4,-2.0 0, 0.0 -51,-0.3 0.948 113.4 45.6 -62.0 -42.1 11.2 -7.1 27.5 72 92 A L H > S+ 0 0 6 -4,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.917 111.5 51.3 -64.8 -43.9 14.9 -7.1 28.5 73 93 A C H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.919 109.5 51.2 -64.0 -35.0 14.2 -5.2 31.8 74 94 A R H X S+ 0 0 47 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.927 111.7 47.0 -61.9 -44.1 11.5 -7.7 32.7 75 95 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.907 112.8 48.8 -69.5 -41.4 13.8 -10.6 32.1 76 96 A I H X S+ 0 0 1 -4,-2.8 4,-3.0 2,-0.2 5,-0.3 0.909 109.0 53.8 -59.0 -47.1 16.7 -8.9 34.0 77 97 A T H X>S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 5,-1.0 0.941 112.1 43.8 -52.9 -50.2 14.3 -8.2 37.0 78 98 A N H <5S+ 0 0 34 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.870 115.2 49.5 -67.9 -35.0 13.2 -11.9 37.2 79 99 A S H <5S+ 0 0 19 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.908 120.4 33.2 -68.4 -47.7 16.8 -13.1 36.8 80 100 A a H <5S- 0 0 0 -4,-3.0 -2,-0.2 -5,-0.1 -1,-0.2 0.592 95.2-138.4 -83.0 -15.7 18.3 -10.8 39.5 81 101 A Q T <5 + 0 0 70 -4,-1.7 -30,-0.3 -5,-0.3 2,-0.3 0.913 64.8 118.6 52.2 51.1 15.2 -10.9 41.7 82 102 A a S - 0 0 26 -29,-0.1 4,-1.7 -3,-0.1 -29,-0.2 -0.734 19.6 -91.6-103.8 154.2 18.6 11.4 23.4 92 112 A A T 4 S+ 0 0 1 -31,-3.0 98,-0.2 -2,-0.3 4,-0.1 -0.515 93.7 36.4 -90.9 166.2 20.7 13.0 20.7 93 113 A P T 4 S+ 0 0 40 0, 0.0 -1,-0.2 0, 0.0 3,-0.2 -0.987 126.8 45.6 -72.2 -13.9 20.9 14.7 18.2 94 114 A E T 4 S+ 0 0 107 1,-0.2 2,-0.5 -32,-0.1 -2,-0.2 0.828 126.0 32.0 -57.1 -41.8 18.1 16.7 19.9 95 115 A N S < S- 0 0 57 -4,-1.7 5,-0.2 3,-0.0 -1,-0.2 -0.950 88.4-153.4-122.5 100.6 19.9 16.7 23.3 96 116 A K > - 0 0 82 -2,-0.5 3,-2.4 -3,-0.2 95,-0.2 -0.386 38.2 -44.3 -66.3 155.6 23.7 16.7 22.8 97 117 A F T 3 S+ 0 0 1 93,-3.0 -1,-0.2 1,-0.3 95,-0.1 -0.254 121.4 36.2 -35.4 140.4 26.2 15.3 25.2 98 118 A P T 3> S+ 0 0 22 0, 0.0 4,-2.8 0, 0.0 3,-0.3 -0.861 96.3 86.5 -92.2 30.3 26.4 15.6 28.1 99 119 A A H <> S+ 0 0 5 -3,-2.4 4,-2.7 1,-0.3 -9,-0.3 0.904 91.6 49.5 -55.0 -48.3 22.6 15.5 28.4 100 120 A A H > S+ 0 0 0 -5,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.876 113.7 46.7 -58.2 -40.8 22.4 11.6 28.6 101 121 A V H > S+ 0 0 2 -3,-0.3 4,-2.8 2,-0.2 5,-0.3 0.902 110.5 51.4 -68.3 -44.8 25.1 11.6 31.3 102 122 A V H X S+ 0 0 24 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.967 114.7 43.7 -56.4 -51.0 23.4 14.4 33.3 103 123 A D H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 5,-0.2 0.899 113.1 51.0 -60.5 -46.2 20.1 12.5 33.2 104 124 A S H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.924 115.9 41.6 -60.8 -41.4 21.7 9.1 34.0 105 125 A F H X S+ 0 0 20 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.930 113.0 52.4 -72.6 -43.7 23.5 10.5 37.0 106 126 A D H X S+ 0 0 17 -4,-3.1 4,-2.1 -5,-0.3 -2,-0.2 0.898 110.8 49.9 -55.3 -40.0 20.6 12.6 38.2 107 127 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.915 110.9 47.8 -71.2 -40.5 18.4 9.5 38.1 108 128 A L H X S+ 0 0 0 -4,-1.8 4,-3.0 -5,-0.2 -1,-0.2 0.928 110.3 50.9 -65.5 -45.6 20.9 7.4 40.0 109 129 A K H X S+ 0 0 62 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.905 112.6 47.6 -57.4 -43.6 21.4 10.0 42.7 110 130 A W H X S+ 0 0 43 -4,-2.1 4,-0.9 -5,-0.2 -2,-0.2 0.929 112.6 48.1 -64.2 -42.9 17.6 10.3 43.2 111 131 A V H >< S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.2 4,-0.3 0.948 112.5 49.7 -65.8 -43.0 17.2 6.5 43.3 112 132 A Y H >< S+ 0 0 74 -4,-3.0 3,-0.7 1,-0.3 -1,-0.2 0.887 113.8 45.3 -58.5 -42.0 20.0 6.3 45.8 113 133 A N H 3< S+ 0 0 110 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.515 123.1 36.4 -79.5 -12.4 18.5 9.1 47.9 114 134 A N T X< S+ 0 0 50 -3,-1.0 3,-2.1 -4,-0.9 4,-0.3 0.097 71.8 125.5-126.4 25.2 15.0 7.5 47.7 115 135 A S G X > + 0 0 24 -3,-0.7 5,-2.6 -4,-0.3 3,-2.3 0.827 66.0 71.0 -65.3 -25.1 15.7 3.7 47.8 116 136 A E G > 5S+ 0 0 118 1,-0.3 3,-1.7 3,-0.2 -1,-0.3 0.822 86.4 66.8 -58.1 -29.2 13.3 3.3 50.7 117 137 A K G < 5S+ 0 0 135 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.724 108.6 37.9 -58.1 -27.5 10.5 4.0 48.2 118 138 A F G < 5S- 0 0 6 -3,-2.3 -1,-0.3 -4,-0.3 -68,-0.2 0.166 116.9-110.7-110.5 12.9 11.3 0.7 46.6 119 139 A N T < 5 + 0 0 57 -3,-1.7 -69,-2.9 1,-0.2 2,-1.3 0.872 60.1 167.0 48.0 46.8 12.1 -1.1 49.8 120 140 A G > < + 0 0 2 -5,-2.6 3,-1.6 1,-0.2 -68,-0.2 -0.133 15.1 140.5 -86.7 50.1 15.7 -0.9 48.5 121 141 A K T 3 + 0 0 128 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2,-0.1 -63,-0.1 0.643 111.8 30.7 -69.4 -16.9 32.1 11.4 30.7 202 222 A F T <4 S+ 0 0 24 -3,-2.1 -2,-0.2 -6,-0.3 -1,-0.2 0.713 134.3 31.1-100.4 -47.8 32.3 10.3 27.0 203 223 A S >< - 0 0 3 -4,-2.6 3,-2.3 -7,-0.2 4,-0.3 -0.770 67.1-179.3-110.7 89.5 35.3 8.0 27.3 204 224 A P G > S+ 0 0 0 0, 0.0 3,-2.0 0, 0.0 -43,-0.1 0.749 73.8 77.7 -68.6 -15.6 35.3 6.6 30.8 205 225 A I G 3 S+ 0 0 1 -45,-2.1 4,-0.1 1,-0.3 -44,-0.1 0.775 87.9 63.6 -54.3 -27.9 38.6 4.7 30.2 206 226 A L G < S+ 0 0 59 -3,-2.3 -1,-0.3 -46,-0.3 -6,-0.1 0.674 88.8 91.0 -66.9 -24.5 40.2 8.1 30.7 207 227 A A S < S- 0 0 8 -3,-2.0 2,-0.7 -4,-0.3 -8,-0.0 -0.275 90.0-100.9 -77.7 164.4 39.1 8.4 34.3 208 228 A D - 0 0 92 1,-0.1 -1,-0.1 2,-0.0 -2,-0.1 -0.750 38.4-166.3 -78.8 114.2 40.9 7.3 37.5 209 229 A L > + 0 0 0 -2,-0.7 3,-1.0 -4,-0.1 -1,-0.1 0.333 39.4 122.2 -92.8 6.2 39.1 4.0 38.2 210 230 A N T 3 S+ 0 0 51 1,-0.2 30,-0.1 28,-0.1 27,-0.0 -0.353 73.0 21.3 -70.5 155.6 40.1 3.2 41.7 211 231 A D T 3 S+ 0 0 135 28,-0.6 -1,-0.2 1,-0.2 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