==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-MAR-13 4JTJ . COMPND 2 MOLECULE: 2-DEHYDRO-3-DEOXYPHOSPHOOCTONATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR T.M.ALLISON,F.C.COCHRANE,G.B.JAMESON,E.J.PARKER . 1022 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35563.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 737 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 153 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 2.7 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 70 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 113 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 334 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.6 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 1 0 0 5 4 6 0 4 0 0 4 2 2 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 13 9 6 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 . 0 4 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 8 0 0 0 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 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 91 0, 0.0 11,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 128.5 15.7 35.6 51.7 2 2 A D - 0 0 92 9,-0.1 2,-0.4 189,-0.1 9,-0.2 -0.635 360.0-149.0 -93.4 154.8 12.1 35.5 50.6 3 3 A I E -A 10 0A 8 7,-2.7 7,-2.9 -2,-0.2 2,-0.5 -0.995 8.8-142.4-120.9 132.4 10.8 34.3 47.3 4 4 A K E -A 9 0A 113 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.815 15.7-176.6 -92.2 125.6 7.6 35.8 45.6 5 5 A I E > -A 8 0A 6 3,-2.7 3,-2.4 -2,-0.5 2,-0.1 -0.927 67.6 -60.6-123.2 97.7 5.5 33.2 43.8 6 6 A N T 3 S- 0 0 91 -2,-0.5 81,-0.1 1,-0.3 -1,-0.0 -0.438 120.4 -17.8 51.5-120.6 2.8 35.2 42.3 7 7 A D T 3 S+ 0 0 164 -2,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.420 118.6 100.0 -91.8 3.0 1.0 36.8 45.3 8 8 A I E < -A 5 0A 23 -3,-2.4 -3,-2.7 41,-0.0 2,-0.6 -0.727 61.1-150.2 -87.5 134.1 2.5 34.3 47.8 9 9 A T E -A 4 0A 57 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.935 14.2-165.2-101.1 118.5 5.5 35.3 49.9 10 10 A L E +A 3 0A 0 -7,-2.9 -7,-2.7 -2,-0.6 2,-0.3 -0.905 29.6 123.5-104.9 122.8 7.7 32.3 50.7 11 11 A G > - 0 0 0 -2,-0.5 3,-2.0 213,-0.3 -9,-0.1 -0.970 68.6-103.0-176.7 158.3 10.2 32.6 53.5 12 12 A N T 3 S+ 0 0 6 178,-0.3 4,-0.1 1,-0.3 -10,-0.1 0.615 121.3 42.1 -71.7 -8.2 11.4 31.3 56.8 13 13 A N T 3 S+ 0 0 85 2,-0.1 -1,-0.3 211,-0.0 211,-0.1 0.130 101.9 87.3-117.3 22.6 9.9 34.2 58.7 14 14 A S S < S- 0 0 15 -3,-2.0 -3,-0.1 1,-0.1 3,-0.1 -0.767 96.0 -75.3-111.2 162.3 6.6 34.2 56.8 15 15 A P - 0 0 82 0, 0.0 -4,-0.3 0, 0.0 -1,-0.1 -0.269 67.8 -93.1 -55.7 139.4 3.4 32.3 57.3 16 16 A F - 0 0 5 226,-0.1 2,-0.4 227,-0.1 209,-0.3 -0.256 34.2-140.4 -62.9 145.1 4.0 28.7 56.1 17 17 A V E -b 225 0B 0 207,-2.1 209,-2.2 30,-0.1 2,-0.5 -0.852 11.5-137.6-102.3 133.4 3.1 27.7 52.6 18 18 A L E -bc 226 49B 0 30,-2.7 32,-2.7 -2,-0.4 2,-0.6 -0.821 13.1-167.7 -92.5 130.3 1.5 24.3 51.9 19 19 A F E +bc 227 50B 1 207,-2.9 209,-3.0 -2,-0.5 2,-0.3 -0.968 32.5 142.7-113.5 115.4 2.8 22.4 48.9 20 20 A G E +bc 228 51B 0 30,-2.1 32,-1.9 -2,-0.6 2,-0.3 -0.995 1.1 99.9-156.7 156.1 0.4 19.5 48.3 21 21 A G E - c 0 52B 2 207,-0.9 2,-0.2 -2,-0.3 32,-0.2 -0.904 61.7 -31.3 171.2-128.7 -1.3 17.4 45.9 22 22 A I E - 0 0 34 30,-1.8 32,-0.2 -2,-0.3 3,-0.1 -0.658 40.1-118.9-129.1 165.7 -0.9 14.0 44.4 23 23 A N E S+ 0 0 78 1,-0.3 31,-1.5 -2,-0.2 2,-0.4 0.994 91.8 2.1 -69.5 -63.2 1.8 11.6 43.4 24 24 A V E S- c 0 54B 11 29,-0.2 2,-0.3 31,-0.1 -1,-0.3 -0.961 74.9-111.3-135.1 138.2 1.3 11.3 39.8 25 25 A L + 0 0 0 29,-3.2 44,-1.6 -2,-0.4 45,-0.2 -0.586 40.5 162.7 -67.6 125.8 -1.1 12.9 37.3 26 26 A E - 0 0 114 1,-0.4 2,-0.3 -2,-0.3 -1,-0.2 0.691 61.6 -10.8-113.2 -37.4 -3.6 10.3 36.0 27 27 A S > - 0 0 48 1,-0.1 4,-2.0 47,-0.0 -1,-0.4 -0.988 58.9-114.1-159.8 159.6 -6.5 12.4 34.5 28 28 A L H > S+ 0 0 45 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.951 113.0 49.0 -61.6 -49.1 -7.8 15.9 34.3 29 29 A D H > S+ 0 0 127 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.903 112.1 45.8 -62.7 -44.0 -11.0 15.2 36.3 30 30 A S H > S+ 0 0 40 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.943 113.8 51.4 -69.8 -35.6 -9.3 13.4 39.2 31 31 A T H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.941 110.2 47.8 -60.7 -47.6 -6.6 16.2 39.4 32 32 A L H X S+ 0 0 28 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.871 111.6 51.6 -64.5 -36.9 -9.2 19.0 39.5 33 33 A Q H X S+ 0 0 146 -4,-1.9 4,-1.3 -5,-0.2 -1,-0.2 0.925 112.6 43.7 -64.8 -47.7 -11.1 17.2 42.1 34 34 A T H X S+ 0 0 44 -4,-2.4 4,-2.0 1,-0.2 3,-0.4 0.939 114.9 49.6 -65.5 -44.8 -8.1 16.7 44.4 35 35 A C H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.900 106.0 56.4 -60.8 -39.9 -6.9 20.2 43.8 36 36 A A H X S+ 0 0 40 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.850 105.6 52.3 -59.5 -37.2 -10.3 21.6 44.6 37 37 A H H X S+ 0 0 89 -4,-1.3 4,-2.3 -3,-0.4 5,-0.2 0.934 111.4 45.4 -66.6 -47.5 -10.3 19.9 48.0 38 38 A Y H X S+ 0 0 4 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.909 113.9 50.0 -61.4 -41.8 -6.9 21.4 48.9 39 39 A V H X S+ 0 0 10 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.917 111.1 47.7 -60.3 -48.8 -7.9 24.8 47.7 40 40 A E H X S+ 0 0 86 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.924 116.2 44.3 -60.7 -47.4 -11.2 24.7 49.8 41 41 A V H X S+ 0 0 1 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.946 116.4 44.8 -63.9 -50.1 -9.4 23.6 53.0 42 42 A T H X>S+ 0 0 6 -4,-2.7 5,-2.4 -5,-0.2 4,-0.9 0.904 112.1 52.5 -63.8 -40.1 -6.5 26.0 52.7 43 43 A R H ><5S+ 0 0 184 -4,-2.6 3,-0.7 -5,-0.3 -1,-0.2 0.930 108.4 49.7 -61.6 -43.4 -8.7 28.9 51.8 44 44 A K H 3<5S+ 0 0 113 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.785 115.6 43.4 -72.2 -21.7 -10.9 28.5 54.7 45 45 A L H 3<5S- 0 0 38 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.474 112.1-118.3 -93.6 -6.0 -7.9 28.2 57.1 46 46 A G T <<5 + 0 0 56 -4,-0.9 -3,-0.2 -3,-0.7 -4,-0.1 0.851 62.2 146.2 72.6 35.2 -6.1 31.1 55.5 47 47 A I < - 0 0 10 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.1 -0.914 51.0-120.6-107.9 124.9 -3.0 29.1 54.4 48 48 A P - 0 0 41 0, 0.0 -30,-2.7 0, 0.0 2,-0.4 -0.342 37.1-159.1 -61.5 143.4 -1.1 29.9 51.1 49 49 A Y E -c 18 0B 9 -32,-0.2 2,-0.4 -30,-0.1 -30,-0.2 -0.989 23.1-172.1-140.2 133.0 -1.2 26.9 48.8 50 50 A I E -c 19 0B 0 -32,-2.7 -30,-2.1 -2,-0.4 2,-0.4 -0.991 28.3-129.1-122.1 125.6 0.8 25.5 45.8 51 51 A F E -cd 20 89B 0 37,-2.1 39,-2.5 -2,-0.4 2,-0.4 -0.590 25.3-161.4 -81.5 131.9 -0.5 22.5 44.0 52 52 A K E +cd 21 90B 5 -32,-1.9 -30,-1.8 -2,-0.4 2,-0.3 -0.910 22.0 138.9-117.4 136.4 1.9 19.6 43.4 53 53 A A E - 0 0 0 37,-1.8 2,-0.4 -2,-0.4 39,-0.3 -0.972 39.3-124.1-162.0 157.5 2.0 16.6 41.1 54 54 A S E -c 24 0B 9 -31,-1.5 -29,-3.2 -2,-0.3 15,-0.3 -0.872 6.3-160.7 -98.7 139.9 4.4 14.6 38.9 55 55 A F S S+ 0 0 2 -2,-0.4 15,-2.7 37,-0.3 2,-0.4 0.581 83.7 33.5 -88.9 -14.2 3.6 14.1 35.2 56 56 A D - 0 0 9 13,-0.1 2,-0.9 36,-0.1 -1,-0.2 -0.989 68.1-145.2-142.2 134.3 5.9 11.2 35.0 57 57 A K - 0 0 72 10,-2.4 3,-0.1 -2,-0.4 -33,-0.0 -0.879 22.9-179.6 -93.5 104.8 6.7 8.5 37.6 58 58 A A S S+ 0 0 7 -2,-0.9 573,-2.0 1,-0.2 2,-0.6 0.706 71.1 53.5 -87.7 -18.8 10.4 8.0 36.7 59 59 A N S S+ 0 0 65 571,-0.2 2,-0.3 572,-0.1 -1,-0.2 -0.906 72.4 169.6-114.9 92.6 11.0 5.3 39.3 60 60 A R - 0 0 14 -2,-0.6 7,-0.1 569,-0.2 571,-0.0 -0.813 39.3-132.2-101.6 147.7 8.3 2.6 38.7 61 61 A S S S+ 0 0 94 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.817 94.1 34.5 -67.0 -30.9 8.6 -0.7 40.5 62 62 A S S > S- 0 0 25 1,-0.1 3,-0.7 4,-0.1 601,-0.1 -0.895 77.0-129.2-124.4 149.9 8.0 -2.5 37.3 63 63 A I T 3 S+ 0 0 25 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.788 115.3 46.8 -65.6 -23.1 8.9 -1.7 33.7 64 64 A H T 3 S+ 0 0 153 2,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.411 83.3 117.7-101.7 2.1 5.2 -2.2 32.9 65 65 A S S < S- 0 0 35 -3,-0.7 2,-0.2 1,-0.1 -5,-0.1 -0.356 80.9 -91.8 -62.1 146.7 3.8 -0.2 35.8 66 66 A Y - 0 0 125 1,-0.1 -1,-0.1 -2,-0.0 3,-0.1 -0.463 34.1-157.4 -63.6 136.2 1.7 2.8 34.6 67 67 A R - 0 0 91 1,-0.3 -10,-2.4 -2,-0.2 3,-0.2 0.588 36.2-109.6 -94.0 -15.4 3.9 6.0 34.2 68 68 A G - 0 0 6 -12,-0.2 -1,-0.3 1,-0.2 -42,-0.2 -0.562 53.6 -51.5 103.3-174.9 1.3 8.9 34.5 69 69 A V S S- 0 0 38 -44,-1.6 4,-0.4 -15,-0.3 -1,-0.2 0.736 75.5-134.4 -76.1 -22.6 0.2 11.2 31.7 70 70 A G > - 0 0 10 -15,-2.7 4,-2.8 -3,-0.2 5,-0.3 -0.113 35.8 -56.8 89.7 171.9 3.6 12.4 30.4 71 71 A L H > S+ 0 0 49 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.902 126.4 44.0 -56.9 -55.7 4.9 15.9 29.5 72 72 A E H > S+ 0 0 153 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.933 121.9 36.4 -63.4 -49.4 2.4 17.1 26.9 73 73 A E H > S+ 0 0 92 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.870 115.3 56.4 -71.1 -39.8 -0.8 16.0 28.6 74 74 A G H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.917 106.1 50.0 -58.4 -45.2 0.6 16.8 32.1 75 75 A L H X S+ 0 0 17 -4,-2.7 4,-2.5 -5,-0.3 -1,-0.2 0.898 107.7 55.0 -63.8 -36.5 1.3 20.4 31.1 76 76 A K H X S+ 0 0 105 -4,-1.5 4,-2.1 -5,-0.2 -2,-0.2 0.929 109.4 47.2 -55.1 -46.9 -2.3 20.7 29.7 77 77 A I H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.925 110.9 50.9 -62.4 -46.0 -3.6 19.6 33.0 78 78 A F H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.896 108.4 52.7 -58.6 -41.6 -1.3 22.0 34.9 79 79 A E H X S+ 0 0 97 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.927 109.7 49.0 -61.3 -41.2 -2.5 24.9 32.7 80 80 A K H X S+ 0 0 113 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.897 109.3 52.3 -62.8 -41.9 -6.1 24.0 33.5 81 81 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.4 0.934 111.4 46.1 -57.8 -46.7 -5.3 23.9 37.2 82 82 A K H X S+ 0 0 55 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.916 114.7 48.2 -66.5 -39.6 -3.8 27.4 37.1 83 83 A A H < S+ 0 0 88 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.924 116.3 41.2 -66.4 -47.2 -6.7 28.7 35.1 84 84 A E H < S+ 0 0 115 -4,-3.0 -2,-0.2 -5,-0.1 -1,-0.2 0.873 131.3 22.3 -69.5 -42.9 -9.4 27.3 37.3 85 85 A F H < S- 0 0 35 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.678 87.1-135.7-104.9 -15.9 -7.9 28.0 40.6 86 86 A G < + 0 0 64 -4,-2.3 -4,-0.2 -5,-0.4 -3,-0.1 0.833 61.7 128.7 65.6 32.8 -5.4 30.9 40.0 87 87 A I - 0 0 22 -6,-0.4 -1,-0.2 -5,-0.1 -2,-0.1 -0.794 61.7-104.4-113.0 161.1 -2.8 29.2 42.2 88 88 A P - 0 0 6 0, 0.0 -37,-2.1 0, 0.0 2,-0.3 -0.418 34.4-150.3 -79.2 161.1 0.9 28.3 41.5 89 89 A V E -d 51 0B 0 -39,-0.2 19,-2.3 16,-0.2 18,-0.4 -0.926 7.4-155.9-130.6 161.8 2.0 24.8 40.8 90 90 A I E +de 52 108B 0 -39,-2.5 -37,-1.8 -2,-0.3 2,-0.3 -0.995 15.3 166.1-139.0 136.9 5.0 22.7 41.2 91 91 A T E - e 0 109B 0 17,-1.6 19,-2.4 -2,-0.4 2,-0.2 -0.989 30.3-114.6-144.7 156.1 6.3 19.6 39.4 92 92 A D E - e 0 110B 18 -2,-0.3 -37,-0.3 -39,-0.3 2,-0.3 -0.581 20.3-155.4 -85.0 154.9 9.5 17.6 39.1 93 93 A V - 0 0 0 17,-2.0 32,-0.0 -2,-0.2 6,-0.0 -0.989 13.3-179.1-128.0 142.0 11.8 17.2 36.1 94 94 A H + 0 0 25 -2,-0.3 -1,-0.1 1,-0.2 27,-0.1 0.533 66.9 53.1-119.0 -8.6 14.1 14.3 35.4 95 95 A E S >> S- 0 0 29 1,-0.1 3,-1.5 26,-0.1 4,-0.6 -0.981 73.3-131.1-131.1 141.0 15.7 15.3 32.0 96 96 A P H >> S+ 0 0 33 0, 0.0 3,-1.5 0, 0.0 4,-0.5 0.874 107.4 58.5 -51.9 -44.3 17.5 18.5 30.9 97 97 A H H 34 S+ 0 0 144 1,-0.3 3,-0.1 2,-0.1 24,-0.0 0.718 101.1 57.5 -62.8 -22.1 15.4 18.7 27.7 98 98 A Q H <> S+ 0 0 21 -3,-1.5 4,-2.2 1,-0.1 5,-0.3 0.685 86.5 81.2 -78.2 -23.3 12.2 18.9 29.8 99 99 A C H X S+ 0 0 0 -4,-2.2 4,-3.3 1,-0.2 3,-1.5 0.935 108.3 54.4 -65.6 -44.6 7.9 22.6 31.9 103 103 A A H 3< S+ 0 0 8 -4,-2.8 -1,-0.2 -5,-0.3 -3,-0.1 0.762 95.8 67.1 -64.0 -25.2 9.1 26.0 33.2 104 104 A E T 3< S+ 0 0 139 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.801 120.0 19.6 -61.0 -29.3 6.9 27.8 30.7 105 105 A V T <4 S+ 0 0 19 -3,-1.5 2,-0.4 -4,-0.5 -2,-0.2 0.779 111.7 72.5-107.8 -45.5 3.9 26.4 32.6 106 106 A C < - 0 0 1 -4,-3.3 -16,-0.1 1,-0.2 -1,-0.1 -0.691 60.9-152.4 -92.8 128.8 4.9 25.4 36.1 107 107 A D S S+ 0 0 29 -2,-0.4 24,-0.9 -18,-0.4 2,-0.4 0.898 85.5 31.1 -64.4 -41.6 5.8 28.1 38.6 108 108 A V E S-ef 90 131B 0 -19,-2.3 -17,-1.6 22,-0.1 2,-0.4 -0.958 70.2-159.5-123.4 131.6 8.2 25.9 40.6 109 109 A I E -ef 91 132B 0 22,-2.3 24,-2.5 -2,-0.4 2,-0.4 -0.925 14.8-142.3-111.6 140.7 10.3 23.2 39.1 110 110 A Q E -ef 92 133B 6 -19,-2.4 -17,-2.0 -2,-0.4 24,-0.2 -0.874 5.5-145.0-114.3 132.8 11.7 20.5 41.4 111 111 A L E - f 0 134B 0 22,-2.8 24,-1.8 -2,-0.4 5,-0.1 -0.848 31.7-124.9 -90.1 110.3 15.1 18.7 41.3 112 112 A P > - 0 0 13 0, 0.0 3,-1.3 0, 0.0 4,-0.3 -0.222 14.4-122.3 -60.0 146.2 14.5 15.1 42.4 113 113 A A G > S+ 0 0 11 1,-0.3 3,-1.5 2,-0.2 4,-0.2 0.905 111.1 54.9 -58.9 -40.1 16.6 14.0 45.3 114 114 A F G 3 S+ 0 0 39 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.751 113.3 43.8 -63.2 -24.8 18.2 11.1 43.4 115 115 A L G X S+ 0 0 1 -3,-1.3 3,-2.7 1,-0.2 -1,-0.3 0.273 74.2 112.9-105.0 10.3 19.3 13.6 40.7 116 116 A A T < S+ 0 0 2 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.1 0.697 81.9 47.7 -63.4 -22.3 20.6 16.4 42.8 117 117 A K T 3 S+ 0 0 63 -3,-0.3 2,-1.2 -4,-0.2 -1,-0.3 0.210 78.6 112.6 -97.9 9.2 24.2 15.7 41.6 118 118 A Q <> - 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0 0 47 0, 0.0 3,-1.3 0, 0.0 4,-0.3 -0.473 30.6-128.8 -63.3 135.9 27.7 -25.1 66.3 1010 254 D L G > S+ 0 0 38 -5,-1.4 3,-1.0 1,-0.3 4,-0.3 0.795 103.3 58.7 -57.4 -34.3 30.7 -26.8 68.2 1011 255 D H G 3 S+ 0 0 152 1,-0.2 4,-0.4 2,-0.1 3,-0.3 0.726 101.2 55.0 -71.3 -22.8 31.2 -29.6 65.6 1012 256 D L G <> S+ 0 0 61 -3,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.472 82.7 96.0 -85.7 -2.4 31.8 -27.1 62.7 1013 257 D L H <> S+ 0 0 0 -3,-1.0 4,-2.8 -4,-0.3 5,-0.2 0.917 79.9 49.3 -57.2 -50.5 34.6 -25.5 64.7 1014 258 D E H > S+ 0 0 83 -3,-0.3 4,-2.2 -4,-0.3 -1,-0.2 0.946 112.4 45.9 -58.5 -49.4 37.4 -27.4 63.1 1015 259 D D H > S+ 0 0 86 -4,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.899 114.2 50.7 -63.1 -39.4 36.4 -26.7 59.5 1016 260 D F H X S+ 0 0 8 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.948 111.2 46.7 -58.1 -48.9 35.8 -23.0 60.4 1017 261 D L H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.833 103.8 62.3 -69.5 -31.5 39.2 -22.6 62.0 1018 262 D I H X S+ 0 0 74 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.936 108.8 43.8 -54.0 -44.5 41.0 -24.4 59.1 1019 263 D R H X S+ 0 0 38 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.894 113.4 49.2 -70.3 -42.8 39.8 -21.6 56.9 1020 264 D I H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.919 112.3 49.1 -61.6 -43.2 40.6 -18.8 59.4 1021 265 D K H X S+ 0 0 55 -4,-3.0 4,-2.9 1,-0.2 5,-0.3 0.899 106.6 55.5 -67.1 -36.9 44.1 -20.2 59.8 1022 266 D A H X S+ 0 0 26 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.952 113.8 41.0 -61.2 -44.1 44.7 -20.4 56.1 1023 267 D L H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.924 114.9 50.5 -71.1 -43.3 43.9 -16.7 55.6 1024 268 D D H X S+ 0 0 0 -4,-3.0 4,-3.1 2,-0.2 5,-0.3 0.932 109.2 51.3 -62.7 -43.5 45.7 -15.6 58.7 1025 269 D D H X S+ 0 0 70 -4,-2.9 4,-1.1 1,-0.2 -1,-0.2 0.928 113.3 46.8 -60.4 -42.8 48.9 -17.5 57.7 1026 270 D L H >< S+ 0 0 36 -4,-2.0 3,-0.5 -5,-0.3 4,-0.5 0.964 115.4 43.7 -59.8 -55.4 48.8 -15.8 54.3 1027 271 D I H >< S+ 0 0 6 -4,-3.0 3,-1.6 1,-0.2 -2,-0.2 0.944 113.3 50.0 -58.3 -48.3 48.2 -12.3 55.6 1028 272 D K H 3< S+ 0 0 30 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.706 104.5 61.5 -66.5 -20.3 50.7 -12.5 58.4 1029 273 D S T << S+ 0 0 82 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.568 90.0 81.0 -80.2 -13.0 53.4 -13.8 55.8 1030 274 D Q S < S- 0 0 23 -3,-1.6 2,-0.0 -4,-0.5 -274,-0.0 -0.790 89.3-109.8 -97.7 143.8 53.2 -10.7 53.8 1031 275 D P - 0 0 96 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.355 33.8-106.9 -73.9 150.9 55.2 -7.7 54.8 1032 276 D I 0 0 119 -4,-0.1 -247,-0.0 -247,-0.0 -4,-0.0 -0.470 360.0 360.0 -67.8 143.3 53.4 -4.6 56.1 1033 277 D L 0 0 90 -2,-0.1 0, 0.0 -313,-0.1 0, 0.0 -0.583 360.0 360.0 179.5 360.0 53.2 -1.5 53.8