==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 08-APR-05 1ZBM . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN AF1704; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR F.FOROUHAR,M.ABASHIDZE,K.CONOVER,T.B.ACTON,G.T.MONTELIONE,J. . 264 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11546.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 9.5 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 . 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 . 15 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 2 1 1 1 0 2 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 1 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 PARALLEL BRIDGES PER LADDER . 0 0 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 H > 0 0 137 0, 0.0 3,-0.5 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 93.5 34.4 26.7 39.6 2 -1 A H T 3 + 0 0 103 1,-0.2 185,-0.1 2,-0.1 188,-0.1 -0.484 360.0 16.7 -91.8 162.0 30.9 27.4 40.8 3 0 A S T 3 S+ 0 0 76 1,-0.2 -1,-0.2 -2,-0.2 184,-0.1 0.804 76.6 150.2 46.2 35.0 29.9 28.8 44.2 4 1 A H < + 0 0 74 -3,-0.5 29,-3.8 28,-0.1 2,-0.6 0.462 45.3 85.2 -76.2 0.6 33.6 29.9 44.6 5 2 A K E +a 33 0A 109 27,-0.2 2,-0.3 29,-0.1 29,-0.2 -0.915 61.4 157.4-106.7 114.7 32.6 32.8 46.8 6 3 A I E -a 34 0A 1 27,-1.6 29,-2.2 -2,-0.6 2,-0.5 -0.914 39.8-121.5-137.7 162.7 32.2 31.8 50.5 7 4 A R E -a 35 0A 78 -2,-0.3 48,-2.0 27,-0.2 47,-0.6 -0.907 20.8-167.4-108.0 128.5 32.2 33.1 54.1 8 5 A V E -ab 36 55A 0 27,-2.6 29,-2.1 -2,-0.5 2,-0.4 -0.961 8.8-166.4-118.7 113.0 34.7 31.7 56.6 9 6 A A E +ab 37 56A 0 46,-2.8 48,-1.8 -2,-0.6 2,-0.2 -0.846 18.4 147.6-106.3 135.7 34.0 32.6 60.2 10 7 A H E -a 38 0A 7 27,-2.1 29,-2.4 -2,-0.4 170,-0.0 -0.830 39.5 -75.0-148.2-174.3 36.4 32.1 63.0 11 8 A T - 0 0 9 -2,-0.2 2,-2.5 27,-0.2 29,-0.2 -0.612 26.5-118.2-103.7 153.8 37.4 33.7 66.4 12 9 A P S S+ 0 0 31 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.384 75.9 119.1 -78.0 60.6 39.3 36.8 67.7 13 10 A D S > S- 0 0 5 -2,-2.5 4,-3.0 1,-0.1 5,-0.3 -0.971 71.5-124.9-130.8 147.6 41.8 34.5 69.4 14 11 A A H > S+ 0 0 1 205,-0.7 4,-3.2 -2,-0.3 5,-0.2 0.937 111.5 52.2 -52.3 -56.2 45.5 34.1 69.1 15 12 A D H > S+ 0 0 19 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.871 114.7 45.5 -51.4 -37.9 45.4 30.4 68.4 16 13 A D H > S+ 0 0 9 2,-0.2 4,-2.7 -3,-0.2 -2,-0.2 0.947 112.7 46.1 -72.3 -50.5 42.9 31.1 65.7 17 14 A A H X S+ 0 0 4 -4,-3.0 4,-1.1 2,-0.2 -2,-0.2 0.888 112.6 55.2 -58.2 -38.3 44.6 34.0 64.0 18 15 A F H >< S+ 0 0 0 -4,-3.2 3,-0.9 -5,-0.3 4,-0.4 0.967 109.9 43.6 -56.8 -57.5 47.8 31.9 64.2 19 16 A X H 3< S+ 0 0 6 -4,-2.1 3,-0.3 1,-0.2 4,-0.3 0.879 120.9 41.2 -57.0 -42.7 46.1 29.0 62.3 20 17 A F H 3X S+ 0 0 1 -4,-2.7 4,-3.0 1,-0.2 3,-0.3 0.472 85.0 101.0 -88.6 -2.2 44.5 31.3 59.8 21 18 A Y H S+ 0 0 1 179,-0.4 5,-2.1 -4,-0.4 6,-0.6 0.877 116.4 43.6 -57.0 -39.4 48.7 32.1 56.0 23 20 A X H >45S+ 0 0 16 -3,-0.3 3,-1.1 -4,-0.3 5,-0.2 0.892 110.4 53.5 -74.8 -40.2 45.2 32.3 54.6 24 21 A T H 3<5S+ 0 0 43 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.579 109.6 51.6 -71.6 -9.1 44.4 35.8 55.8 25 22 A H T 3<5S- 0 0 79 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.1 -0.045 114.1-107.8-119.1 33.8 47.6 37.1 54.1 26 23 A G T < 5S+ 0 0 71 -3,-1.1 -3,-0.2 1,-0.2 -2,-0.1 0.701 84.3 126.1 50.7 22.8 47.2 35.7 50.6 27 24 A K < + 0 0 106 -5,-2.1 2,-0.6 -6,-0.3 -4,-0.2 0.496 56.0 75.3 -86.2 -5.4 49.9 33.2 51.4 28 25 A V S S- 0 0 13 -6,-0.6 2,-0.6 -5,-0.2 -2,-0.1 -0.937 78.8-138.6-113.0 120.1 47.6 30.3 50.3 29 26 A D + 0 0 140 -2,-0.6 2,-0.3 2,-0.0 -2,-0.1 -0.648 42.5 144.0 -80.6 116.6 47.0 29.8 46.6 30 27 A T - 0 0 39 -2,-0.6 -2,-0.0 2,-0.1 164,-0.0 -0.995 54.6-137.7-151.7 151.0 43.3 29.0 46.0 31 28 A W S S+ 0 0 65 -2,-0.3 2,-0.3 2,-0.1 -2,-0.0 0.458 76.9 106.3 -86.7 -1.3 40.6 29.6 43.5 32 29 A L - 0 0 12 161,-0.1 2,-1.1 1,-0.1 -27,-0.2 -0.606 68.5-140.6 -80.4 136.3 38.1 30.3 46.3 33 30 A E E -a 5 0A 115 -29,-3.8 -27,-1.6 -2,-0.3 2,-0.3 -0.791 31.5-165.7 -97.2 91.3 37.1 33.9 46.9 34 31 A I E -a 6 0A 38 -2,-1.1 2,-0.5 -29,-0.2 -27,-0.2 -0.622 17.4-165.8 -88.8 136.2 37.1 33.8 50.7 35 32 A E E -a 7 0A 89 -29,-2.2 -27,-2.6 -2,-0.3 2,-0.3 -0.975 18.0-143.7-118.6 117.5 35.5 36.5 53.0 36 33 A H E -a 8 0A 51 -2,-0.5 2,-0.4 -29,-0.2 -27,-0.2 -0.632 14.5-172.0 -87.0 140.6 36.6 36.3 56.6 37 34 A V E -a 9 0A 23 -29,-2.1 -27,-2.1 -2,-0.3 2,-0.5 -0.993 7.8-159.7-131.7 118.8 34.2 37.0 59.5 38 35 A I E +a 10 0A 68 -2,-0.4 2,-0.3 -29,-0.2 -27,-0.2 -0.906 26.8 144.0-106.5 121.7 35.6 37.2 63.0 39 36 A E - 0 0 50 -29,-2.4 5,-0.1 -2,-0.5 -2,-0.1 -0.981 53.6 -76.4-152.5 157.3 33.3 36.8 66.0 40 37 A D >> - 0 0 42 -2,-0.3 4,-1.9 -29,-0.2 3,-0.7 -0.247 44.2-116.6 -58.0 141.3 33.3 35.2 69.4 41 38 A I H 3> S+ 0 0 19 1,-0.3 4,-2.1 2,-0.2 18,-0.3 0.816 115.8 51.9 -49.2 -38.9 32.9 31.5 69.6 42 39 A E H 3> S+ 0 0 13 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.894 106.8 54.4 -70.1 -34.0 29.6 31.6 71.4 43 40 A T H <> S+ 0 0 57 -3,-0.7 4,-2.6 1,-0.2 -2,-0.2 0.895 111.1 45.5 -63.1 -39.5 28.3 34.0 68.7 44 41 A L H X S+ 0 0 1 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.843 108.0 56.3 -72.6 -34.7 29.3 31.5 66.0 45 42 A N H < S+ 0 0 0 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.903 114.6 40.3 -63.8 -39.1 27.7 28.6 68.0 46 43 A R H >< S+ 0 0 108 -4,-2.0 3,-2.1 1,-0.2 -2,-0.2 0.935 113.3 50.4 -75.6 -47.7 24.4 30.4 68.0 47 44 A K H ><>S+ 0 0 64 -4,-2.6 3,-1.6 1,-0.3 5,-1.1 0.736 97.8 72.4 -62.9 -19.8 24.5 31.8 64.4 48 45 A A G ><5S+ 0 0 5 -4,-1.4 3,-0.8 1,-0.3 -1,-0.3 0.644 80.3 73.0 -68.6 -15.6 25.3 28.2 63.3 49 46 A F G < 5S+ 0 0 85 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.548 101.1 43.9 -75.4 -7.7 21.6 27.4 64.1 50 47 A N G < 5S- 0 0 126 -3,-1.6 -1,-0.2 -4,-0.1 -2,-0.2 0.313 110.9-120.5-115.1 2.1 20.7 29.3 61.0 51 48 A A T < 5 + 0 0 25 -3,-0.8 -3,-0.2 -4,-0.2 -2,-0.1 0.935 53.5 162.7 55.7 47.4 23.4 27.9 58.8 52 49 A E < + 0 0 71 -5,-1.1 2,-0.2 -8,-0.1 -4,-0.1 0.925 51.3 40.1 -63.9 -51.9 24.7 31.4 58.3 53 50 A Y - 0 0 7 1,-0.1 3,-0.2 -6,-0.1 130,-0.2 -0.674 69.9-133.4-105.4 158.7 28.2 30.7 57.0 54 51 A E S S+ 0 0 31 -47,-0.6 129,-2.9 1,-0.3 2,-0.4 0.891 101.0 17.4 -70.3 -41.3 29.6 28.2 54.6 55 52 A V E S+bC 8 182A 1 -48,-2.0 -46,-2.8 127,-0.2 2,-0.3 -0.989 77.4 165.6-135.4 125.2 32.5 27.4 57.0 56 53 A T E -bC 9 181A 1 125,-2.6 125,-2.4 -2,-0.4 -46,-0.2 -0.997 36.2-120.3-142.6 144.5 32.5 28.3 60.7 57 54 A A E + C 0 180A 10 -48,-1.8 2,-0.3 -2,-0.3 123,-0.2 -0.410 43.5 171.4 -71.1 160.6 34.5 27.4 63.8 58 55 A I E - C 0 179A 0 121,-1.9 121,-2.6 -2,-0.1 -16,-0.1 -0.861 36.7 -98.6-174.9 138.7 32.2 25.9 66.4 59 56 A S E > - C 0 178A 7 -18,-0.3 4,-2.2 -2,-0.3 119,-0.3 -0.230 32.0-124.2 -58.4 144.4 32.4 24.2 69.8 60 57 A A H > S+ 0 0 0 117,-2.6 4,-1.2 2,-0.2 -1,-0.1 0.931 113.2 56.5 -57.2 -42.7 32.1 20.4 69.7 61 58 A H H >4 S+ 0 0 5 116,-0.4 3,-1.4 1,-0.2 4,-0.4 0.964 107.7 45.3 -49.0 -62.5 29.2 20.7 72.1 62 59 A A H >4 S+ 0 0 0 44,-1.2 3,-2.4 1,-0.3 -1,-0.2 0.861 102.2 67.7 -51.0 -41.9 27.3 23.0 69.8 63 60 A Y H >< S+ 0 0 17 -4,-2.2 3,-2.1 1,-0.3 4,-0.3 0.826 89.2 63.8 -50.5 -36.9 28.0 20.8 66.8 64 61 A A T << S+ 0 0 25 -3,-1.4 3,-0.3 -4,-1.2 -1,-0.3 0.760 102.0 51.7 -62.0 -21.8 25.8 18.0 68.3 65 62 A L T < S+ 0 0 59 -3,-2.4 -1,-0.3 -4,-0.4 -2,-0.2 0.235 119.9 32.0 -97.9 11.6 22.9 20.4 67.9 66 63 A L S X> S+ 0 0 4 -3,-2.1 4,-1.6 -4,-0.1 3,-0.7 0.133 70.7 119.3-156.2 29.7 23.6 21.1 64.2 67 64 A D T 34 S+ 0 0 78 -4,-0.3 -3,-0.1 -3,-0.3 5,-0.1 0.377 70.7 71.8 -79.6 4.5 25.1 18.1 62.6 68 65 A D T 34 S+ 0 0 105 1,-0.1 -1,-0.2 3,-0.0 -2,-0.1 0.811 112.6 22.1 -86.3 -35.8 22.1 18.0 60.3 69 66 A K T <4 S+ 0 0 119 -3,-0.7 115,-3.1 1,-0.1 116,-0.4 0.606 127.3 48.9-105.4 -17.0 23.2 21.1 58.3 70 67 A Y E < -D 183 0A 0 -4,-1.6 2,-0.3 113,-0.3 113,-0.2 -0.892 60.2-161.4-125.6 153.0 26.9 20.9 59.1 71 68 A R E -D 182 0A 61 111,-1.8 111,-2.4 -2,-0.3 2,-0.3 -0.939 34.7 -96.7-129.5 155.6 29.6 18.3 59.0 72 69 A I E -D 181 0A 38 -2,-0.3 2,-0.3 109,-0.2 109,-0.2 -0.543 33.4-136.6 -75.1 128.8 33.0 18.2 60.8 73 70 A L - 0 0 2 107,-3.3 107,-0.4 -2,-0.3 4,-0.3 -0.662 14.7-128.2 -83.6 138.6 35.9 19.3 58.6 74 71 A S S S+ 0 0 47 -2,-0.3 169,-1.9 2,-0.1 2,-0.4 0.788 92.0 51.4 -58.2 -25.4 39.0 17.2 59.0 75 72 A A S S+ 0 0 0 167,-0.2 166,-0.2 1,-0.1 165,-0.1 -0.886 91.0 44.0-117.9 145.1 41.2 20.3 59.7 76 73 A G + 0 0 7 164,-2.3 164,-0.2 -2,-0.4 -1,-0.1 0.205 69.5 136.8 114.9 -15.1 40.8 23.2 62.1 77 74 A A - 0 0 0 163,-0.4 2,-0.5 162,-0.3 -1,-0.3 -0.257 45.3-142.1 -65.9 150.8 39.8 21.3 65.3 78 75 A S E -E 178 0A 19 100,-3.2 99,-2.5 158,-0.1 100,-1.3 -0.974 23.2-176.2-114.8 125.6 41.3 22.3 68.6 79 76 A V E -E 176 0A 0 -2,-0.5 2,-0.2 97,-0.2 160,-0.1 -0.980 18.4-142.3-131.2 125.9 42.0 19.4 70.9 80 77 A G E -E 175 0A 0 95,-2.8 95,-3.5 -2,-0.4 2,-0.2 -0.574 17.2-179.9 -82.3 147.2 43.3 19.3 74.4 81 78 A D S S- 0 0 71 -2,-0.2 3,-0.1 93,-0.2 -2,-0.0 -0.670 80.7 -11.6-149.2 85.2 45.8 16.5 75.4 82 79 A G S S+ 0 0 50 1,-0.3 2,-0.3 -2,-0.2 83,-0.1 0.444 136.0 48.7 99.1 3.4 46.9 16.8 79.0 83 80 A Y + 0 0 61 81,-0.1 -1,-0.3 151,-0.1 92,-0.2 -0.967 57.1 126.9-162.6 166.0 45.4 20.2 79.3 84 81 A G - 0 0 4 -2,-0.3 80,-0.1 -4,-0.1 79,-0.1 -0.974 57.3 -11.6 167.2-160.0 42.2 22.2 78.5 85 82 A P - 0 0 3 0, 0.0 78,-1.0 0, 0.0 79,-0.5 -0.185 58.6-173.0 -63.5 158.1 39.5 24.4 80.1 86 83 A V E -FG 144 162B 6 58,-1.3 58,-2.6 76,-0.2 2,-0.5 -0.948 26.1-123.7-147.1 166.3 39.4 24.9 83.9 87 84 A V E -FG 143 161B 0 74,-2.3 73,-2.5 -2,-0.3 74,-1.5 -0.964 33.6-166.9-113.7 129.7 37.3 26.5 86.6 88 85 A V E +FG 142 159B 0 54,-2.4 54,-1.9 -2,-0.5 2,-0.3 -0.851 10.0 175.8-119.1 157.4 39.2 28.9 88.8 89 86 A A E - G 0 158B 1 69,-2.0 69,-1.9 -2,-0.3 52,-0.1 -0.961 45.8-104.9-152.5 165.0 38.5 30.6 92.2 90 87 A K S S- 0 0 92 50,-0.4 2,-0.3 -2,-0.3 51,-0.1 0.786 105.1 -3.0 -66.1 -23.9 40.1 32.9 94.7 91 88 A S S S- 0 0 69 67,-0.1 2,-0.3 66,-0.0 67,-0.1 -0.922 99.5 -62.0-153.9 176.0 40.6 29.8 97.0 92 89 A E + 0 0 125 -2,-0.3 2,-0.3 -3,-0.0 68,-0.1 -0.510 61.0 157.0 -71.3 126.7 39.8 26.1 97.1 93 90 A I - 0 0 56 -2,-0.3 -4,-0.0 1,-0.1 47,-0.0 -0.849 48.1-120.8-138.8 174.6 36.0 25.3 97.0 94 91 A S - 0 0 76 -2,-0.3 3,-0.1 2,-0.2 -1,-0.1 0.756 31.8-142.6 -92.1 -26.7 33.8 22.4 96.0 95 92 A L > + 0 0 3 1,-0.3 3,-1.2 4,-0.0 2,-0.3 0.106 55.3 131.7 86.0 -20.9 31.8 24.2 93.4 96 93 A D T 3 S+ 0 0 100 1,-0.3 -1,-0.3 24,-0.1 24,-0.2 -0.495 84.2 0.6 -68.4 124.9 28.6 22.3 94.3 97 94 A G T 3 S+ 0 0 56 22,-2.4 -1,-0.3 -2,-0.3 23,-0.2 0.314 106.5 131.6 80.8 -9.0 25.7 24.8 94.7 98 95 A K < - 0 0 54 -3,-1.2 23,-3.2 21,-0.2 2,-0.7 -0.238 64.2-112.8 -75.7 162.1 28.1 27.6 93.7 99 96 A R E -h 121 0B 92 21,-0.2 41,-2.4 -3,-0.1 42,-1.6 -0.864 37.0-171.3 -98.4 111.5 27.6 30.4 91.2 100 97 A I E -hi 122 141B 0 21,-2.1 23,-2.9 -2,-0.7 42,-0.2 -0.912 19.9-133.2-112.8 125.1 30.0 29.9 88.2 101 98 A A E -hi 123 142B 0 40,-2.9 42,-2.6 -2,-0.5 23,-0.2 -0.528 26.9-167.6 -71.4 133.2 30.5 32.4 85.4 102 99 A V E -h 124 0B 0 21,-1.6 23,-1.7 -2,-0.2 3,-0.2 -0.986 24.0-142.2-127.8 137.0 30.5 30.7 82.0 103 100 A P S S- 0 0 10 0, 0.0 24,-0.3 0, 0.0 2,-0.3 0.761 83.2 -7.6 -66.5 -29.3 31.5 32.2 78.6 104 101 A G > - 0 0 0 22,-0.1 3,-1.7 1,-0.1 6,-0.3 -0.834 53.1-132.0-174.5 133.1 28.8 30.5 76.7 105 102 A R T 3 S+ 0 0 129 1,-0.3 -1,-0.1 -2,-0.3 6,-0.0 0.837 107.9 47.7 -53.5 -39.3 26.0 27.9 77.1 106 103 A Y T 3 S+ 0 0 43 4,-0.1 -44,-1.2 -3,-0.1 -1,-0.3 0.326 83.9 115.6 -90.9 9.0 27.0 26.0 74.0 107 104 A T S X> S- 0 0 2 -3,-1.7 4,-1.8 -46,-0.2 3,-0.6 -0.440 73.0-123.7 -78.2 154.5 30.7 25.7 74.5 108 105 A T H 3> S+ 0 0 3 69,-0.4 4,-2.5 1,-0.2 5,-0.2 0.873 112.3 60.7 -61.7 -36.3 32.3 22.3 75.0 109 106 A A H 3> S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.820 103.7 50.1 -61.9 -31.5 33.7 23.6 78.3 110 107 A N H <> S+ 0 0 5 -3,-0.6 4,-3.1 -6,-0.3 5,-0.2 0.943 107.6 51.7 -72.5 -45.7 30.2 24.2 79.6 111 108 A L H X S+ 0 0 2 -4,-1.8 4,-0.9 1,-0.2 -2,-0.2 0.931 111.3 49.4 -53.6 -47.2 29.1 20.7 78.6 112 109 A L H >X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 3,-0.8 0.919 110.8 48.6 -58.4 -47.1 32.0 19.3 80.5 113 110 A L H 3X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.3 3,-0.3 0.946 108.6 53.5 -58.9 -48.6 31.3 21.4 83.6 114 111 A K H 3< S+ 0 0 57 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.688 112.1 47.2 -60.2 -18.9 27.6 20.3 83.5 115 112 A L H << S+ 0 0 17 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.752 115.5 42.3 -92.3 -30.4 28.9 16.7 83.4 116 113 A A H < S+ 0 0 33 -4,-2.0 2,-0.5 -3,-0.3 -2,-0.2 0.827 125.4 32.3 -85.0 -34.2 31.4 17.1 86.3 117 114 A V < - 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0 0 15 -3,-2.5 3,-1.3 -207,-0.2 -2,-0.1 0.749 66.9-148.6 -60.9 -27.7 47.1 38.0 72.5 221 218 A R T 3 S- 0 0 92 -4,-0.4 3,-0.1 1,-0.3 -3,-0.1 0.937 72.1 -39.5 58.0 50.5 45.2 39.8 75.3 222 219 A G T 3 S+ 0 0 80 1,-0.3 -1,-0.3 -5,-0.2 2,-0.1 0.206 103.1 136.9 87.3 -17.8 48.4 40.9 77.2 223 220 A L < - 0 0 12 -3,-1.3 -1,-0.3 -6,-0.1 -3,-0.1 -0.388 53.8-124.7 -64.2 139.4 50.2 37.6 76.6 224 221 A D > - 0 0 82 -3,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.257 33.6 -94.6 -75.7 171.6 53.9 38.0 75.7 225 222 A R H > S+ 0 0 126 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.857 122.8 48.0 -58.1 -40.1 55.2 36.4 72.5 226 223 A E H > S+ 0 0 124 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.937 112.5 47.1 -68.3 -47.0 56.4 33.2 74.2 227 224 A R H > S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.867 113.4 50.3 -62.9 -37.3 53.2 32.6 76.1 228 225 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.907 109.5 49.5 -68.6 -42.2 51.1 33.2 73.0 229 226 A K H X S+ 0 0 24 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.935 111.1 51.0 -61.2 -45.1 53.2 30.8 70.9 230 227 A R H X S+ 0 0 130 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.908 112.3 46.4 -58.4 -44.6 52.8 28.2 73.6 231 228 A F H X S+ 0 0 3 -4,-2.1 4,-1.0 2,-0.2 3,-0.4 0.934 114.6 45.7 -64.7 -48.8 49.0 28.7 73.7 232 229 A A H >X S+ 0 0 0 -4,-2.9 3,-0.8 1,-0.2 4,-0.8 0.918 111.5 51.9 -61.6 -44.2 48.6 28.6 69.9 233 230 A X H 3< S+ 0 0 81 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.724 102.6 62.6 -65.8 -20.7 50.9 25.5 69.7 234 231 A X H 3< S+ 0 0 22 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.813 118.7 23.8 -72.2 -33.0 48.7 23.9 72.3 235 232 A Y H << S+ 0 0 8 -4,-1.0 2,-0.3 -3,-0.8 -2,-0.2 0.226 117.0 63.6-119.3 12.4 45.6 24.0 70.1 236 233 A V S < S+ 0 0 0 -4,-0.8 2,-0.2 -5,-0.1 -1,-0.2 -0.739 79.6 91.4-137.6 84.9 47.1 24.2 66.6 237 234 A N S >> S- 0 0 41 -2,-0.3 4,-2.1 -3,-0.1 3,-0.9 -0.585 91.6 -34.4-147.5-151.2 49.1 21.0 65.9 238 235 A D H 3> S+ 0 0 137 1,-0.3 4,-2.2 2,-0.2 0, 0.0 0.875 131.6 53.0 -47.5 -48.6 48.7 17.5 64.5 239 236 A Y H 34 S+ 0 0 47 1,-0.2 -162,-0.3 2,-0.2 -1,-0.3 0.831 110.4 48.5 -59.4 -34.1 45.1 17.1 65.6 240 237 A T H <4 S+ 0 0 0 -3,-0.9 -164,-2.3 1,-0.2 -163,-0.4 0.854 108.8 53.1 -74.8 -36.4 44.3 20.4 63.9 241 238 A Y H < S- 0 0 103 -4,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.897 133.9 -5.3 -66.7 -39.4 46.0 19.4 60.7 242 239 A N S < S- 0 0 72 -4,-2.2 -1,-0.3 -5,-0.2 -167,-0.2 -0.861 73.9-122.7-158.2 118.1 44.0 16.1 60.5 243 240 A X - 0 0 15 -169,-1.9 -4,-0.1 -2,-0.3 -3,-0.1 -0.475 35.2-144.2 -65.8 113.7 41.5 14.8 63.0 244 241 A P >> - 0 0 30 0, 0.0 4,-1.4 0, 0.0 3,-0.6 -0.217 25.6 -99.8 -74.0 170.0 42.9 11.3 63.9 245 242 A E H 3> S+ 0 0 157 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.856 120.0 60.3 -57.9 -37.3 40.7 8.2 64.7 246 243 A S H 3> S+ 0 0 40 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.868 104.5 48.8 -60.1 -39.2 41.1 8.7 68.5 247 244 A V H <> S+ 0 0 0 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.832 108.0 53.9 -70.8 -33.5 39.6 12.2 68.4 248 245 A D H X S+ 0 0 83 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.911 110.7 47.9 -65.1 -39.5 36.6 10.8 66.3 249 246 A A H X S+ 0 0 44 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.878 108.0 55.2 -66.9 -38.8 36.2 8.3 69.1 250 247 A A H X S+ 0 0 0 -4,-2.0 4,-3.4 2,-0.2 -1,-0.2 0.894 107.8 47.8 -62.7 -42.5 36.4 10.9 71.8 251 248 A L H X S+ 0 0 8 -4,-2.0 4,-3.2 2,-0.2 5,-0.3 0.959 109.9 53.1 -63.2 -48.2 33.6 13.0 70.2 252 249 A K H X S+ 0 0 139 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.935 114.4 42.9 -50.3 -49.2 31.5 9.9 69.9 253 250 A K H X S+ 0 0 74 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.947 111.4 53.3 -62.1 -52.1 32.1 9.2 73.7 254 251 A L H X S+ 0 0 0 -4,-3.4 4,-1.9 1,-0.2 -2,-0.2 0.920 112.0 46.1 -49.1 -49.3 31.6 12.9 74.7 255 252 A Y H X S+ 0 0 47 -4,-3.2 4,-3.2 2,-0.2 -1,-0.2 0.903 109.2 53.8 -63.4 -43.5 28.2 12.9 72.9 256 253 A E H X S+ 0 0 88 -4,-2.2 4,-2.8 -5,-0.3 -1,-0.2 0.941 109.4 49.0 -56.9 -47.3 27.1 9.6 74.4 257 254 A X H < S+ 0 0 30 -4,-2.9 4,-0.5 1,-0.2 -1,-0.2 0.889 112.7 48.2 -60.1 -39.0 27.8 10.9 77.8 258 255 A A H ><>S+ 0 0 1 -4,-1.9 5,-2.7 -5,-0.2 3,-1.0 0.916 111.9 47.9 -68.0 -43.9 25.9 14.1 77.0 259 256 A E H ><5S+ 0 0 122 -4,-3.2 3,-2.4 1,-0.2 -2,-0.2 0.954 105.8 59.6 -60.2 -49.1 22.9 12.2 75.7 260 257 A A T 3<5S+ 0 0 88 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.610 112.6 39.1 -56.0 -16.6 22.9 9.8 78.7 261 258 A K T < 5S- 0 0 101 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.303 112.5-115.5-116.4 6.6 22.4 12.9 81.0 262 259 A G T < 5S+ 0 0 60 -3,-2.4 -3,-0.2 -4,-0.3 -2,-0.1 0.869 72.8 133.7 63.3 37.1 19.9 14.7 78.8 263 260 A L < 0 0 39 -5,-2.7 -4,-0.2 -6,-0.1 -5,-0.1 0.749 360.0 360.0 -88.3 -22.7 22.3 17.6 78.2 264 261 A I 0 0 85 -6,-0.5 -199,-0.1 -9,-0.1 -202,-0.0 -0.134 360.0 360.0 -88.8 360.0 21.7 17.7 74.4