==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 30-MAY-12 4FEW . COMPND 2 MOLECULE: AMINOGLYCOSIDE 3'-PHOSPHOTRANSFERASE APHA1-IAB; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII; . AUTHOR P.J.STOGIOS,E.EVDOKIMOVA,Z.WAWRZAK,G.MINASOV,O.EGOROVA,R.DI . 1562 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 70782.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1112 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 279 17.9 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 . 12 0.8 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 . 90 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 210 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 486 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 0.8 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 3 0 0 6 0 5 1 17 1 6 0 2 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 7 6 16 10 4 6 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 12 0 0 0 0 0 0 0 2 1 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 6 A R 0 0 245 0, 0.0 2,-0.4 0, 0.0 288,-0.1 0.000 360.0 360.0 360.0 122.7 -24.4 16.7 -5.0 2 7 A E - 0 0 87 286,-0.1 2,-0.3 287,-0.0 286,-0.2 -0.997 360.0-157.5-133.8 134.9 -27.4 14.5 -4.5 3 8 A T E -A 287 0A 87 284,-3.1 284,-3.6 -2,-0.4 2,-0.5 -0.800 27.4-113.9-103.6 149.3 -31.0 14.9 -5.6 4 9 A S E -A 286 0A 102 -2,-0.3 282,-0.3 282,-0.3 2,-0.2 -0.729 43.8-179.0 -83.1 128.3 -34.0 13.1 -4.0 5 10 A C - 0 0 45 280,-2.2 280,-0.4 -2,-0.5 2,-0.1 -0.494 22.5-100.2-119.1-173.2 -35.6 10.6 -6.4 6 11 A S - 0 0 102 -2,-0.2 -1,-0.2 278,-0.1 0, 0.0 -0.138 50.0 -73.1 -96.3-166.6 -38.4 8.1 -6.7 7 12 A R - 0 0 142 -2,-0.1 2,-0.1 277,-0.0 -1,-0.1 -0.839 49.9-177.4 -98.9 109.8 -38.6 4.3 -6.4 8 13 A P - 0 0 40 0, 0.0 2,-0.3 0, 0.0 -3,-0.0 -0.157 7.4-155.2 -87.2-170.5 -37.1 2.4 -9.4 9 14 A R - 0 0 181 -2,-0.1 2,-0.2 0, 0.0 -2,-0.0 -0.983 15.5-106.0-161.4 164.7 -37.0 -1.4 -9.9 10 15 A L - 0 0 54 -2,-0.3 3,-0.1 1,-0.1 339,-0.0 -0.504 17.1-144.7 -92.3 168.7 -35.3 -4.3 -11.7 11 16 A N S S+ 0 0 100 1,-0.2 2,-0.4 -2,-0.2 -1,-0.1 0.636 74.5 45.1-107.6 -19.2 -36.7 -6.2 -14.6 12 17 A S - 0 0 46 3,-0.0 2,-0.3 4,-0.0 -1,-0.2 -0.956 51.2-179.8-142.7 121.8 -35.5 -9.8 -14.0 13 18 A N >> - 0 0 79 -2,-0.4 3,-1.3 -3,-0.1 4,-0.7 -0.843 42.6-108.3-113.4 154.4 -35.4 -12.2 -11.1 14 19 A L H 3> S+ 0 0 8 -2,-0.3 4,-0.6 1,-0.3 3,-0.3 0.681 107.0 73.0 -56.5 -22.8 -34.1 -15.8 -11.1 15 20 A D H >4 S+ 0 0 85 1,-0.2 3,-1.0 2,-0.2 4,-0.5 0.886 94.3 48.6 -63.1 -43.3 -37.6 -17.3 -10.8 16 21 A A H X4 S+ 0 0 57 -3,-1.3 3,-0.6 1,-0.2 -1,-0.2 0.779 104.3 61.0 -70.3 -27.4 -38.7 -16.6 -14.3 17 22 A D H 3< S+ 0 0 37 -4,-0.7 -1,-0.2 -3,-0.3 -2,-0.2 0.685 106.1 47.7 -70.6 -18.1 -35.5 -18.0 -15.9 18 23 A L T X< S+ 0 0 8 -3,-1.0 3,-1.4 -4,-0.6 -1,-0.2 0.509 78.3 129.4-106.8 -6.1 -36.3 -21.4 -14.3 19 24 A Y T < S+ 0 0 146 -3,-0.6 -3,-0.0 -4,-0.5 -4,-0.0 -0.189 76.2 6.5 -53.0 134.7 -39.9 -21.9 -15.3 20 25 A G T 3 S+ 0 0 60 1,-0.2 2,-0.3 21,-0.0 -1,-0.2 0.565 92.3 130.4 72.7 13.1 -40.8 -25.2 -17.0 21 26 A Y < - 0 0 21 -3,-1.4 2,-0.3 20,-0.1 -1,-0.2 -0.725 56.4-124.7 -95.3 149.7 -37.4 -27.0 -16.7 22 27 A R E -B 39 0A 140 17,-3.8 17,-1.7 -2,-0.3 2,-0.4 -0.679 31.4-133.5 -81.4 146.9 -36.8 -30.5 -15.3 23 28 A W E +B 38 0A 20 250,-0.4 250,-1.6 -2,-0.3 2,-0.3 -0.881 28.1 169.1-111.4 135.6 -34.4 -30.6 -12.5 24 29 A A E -BC 37 272A 0 13,-1.5 13,-2.4 -2,-0.4 2,-0.6 -0.995 26.5-136.9-138.0 144.9 -31.4 -32.9 -11.9 25 30 A R E -BC 36 271A 122 246,-3.2 246,-2.1 -2,-0.3 11,-0.2 -0.894 24.1-168.7-103.3 112.5 -28.5 -32.8 -9.4 26 31 A D E - C 0 270A 35 9,-2.4 9,-0.5 -2,-0.6 244,-0.1 -0.217 37.6 -66.2 -85.9-176.1 -25.1 -33.6 -10.8 27 32 A N - 0 0 78 242,-0.5 8,-0.4 7,-0.1 -1,-0.2 -0.013 60.7 -89.2 -63.4 176.1 -21.8 -34.3 -8.9 28 33 A V - 0 0 92 6,-0.1 2,-0.2 1,-0.1 3,-0.2 0.978 56.4-151.7 -55.8 -75.4 -20.1 -31.6 -6.9 29 34 A G > - 0 0 33 1,-0.2 3,-1.6 3,-0.1 -1,-0.1 -0.646 39.4 -32.0 120.5 177.8 -17.8 -29.8 -9.3 30 35 A Q T 3 S+ 0 0 30 1,-0.3 -1,-0.2 -2,-0.2 -2,-0.1 0.762 137.0 12.2 -41.5 -56.2 -14.5 -27.9 -9.2 31 36 A S T 3 S- 0 0 40 -3,-0.2 -1,-0.3 25,-0.1 28,-0.1 0.136 119.5 -87.3-116.7 18.8 -14.7 -26.2 -5.8 32 37 A G S < S+ 0 0 35 -3,-1.6 -2,-0.1 1,-0.2 -3,-0.1 0.497 71.7 155.8 96.7 5.8 -17.6 -28.2 -4.4 33 38 A A - 0 0 5 23,-0.1 2,-0.4 1,-0.1 -1,-0.2 -0.259 50.9-107.6 -61.5 149.8 -20.6 -26.1 -5.7 34 39 A T E - D 0 51A 30 17,-2.6 17,-2.4 -9,-0.0 2,-0.5 -0.661 37.7-150.5 -73.7 133.4 -23.9 -27.9 -6.0 35 40 A I E - D 0 50A 25 -9,-0.5 -9,-2.4 -8,-0.4 2,-0.4 -0.942 13.4-171.8-114.8 125.0 -24.6 -28.4 -9.7 36 41 A Y E -BD 25 49A 23 13,-3.2 13,-2.8 -2,-0.5 2,-0.5 -0.922 11.5-150.9-110.7 137.3 -28.1 -28.5 -11.2 37 42 A R E -BD 24 48A 49 -13,-2.4 -13,-1.5 -2,-0.4 2,-0.5 -0.912 9.2-157.5-103.1 131.8 -28.9 -29.4 -14.8 38 43 A L E +BD 23 47A 0 9,-2.9 9,-2.3 -2,-0.5 2,-0.3 -0.954 32.4 138.6-112.2 121.8 -32.0 -27.8 -16.3 39 44 A Y E +B 22 0A 53 -17,-1.7 -17,-3.8 -2,-0.5 7,-0.0 -0.877 29.8 63.5-151.5 174.1 -33.5 -29.7 -19.2 40 45 A G + 0 0 56 -2,-0.3 -1,-0.1 1,-0.2 -17,-0.1 0.746 62.2 136.1 73.0 24.4 -36.6 -31.0 -20.9 41 46 A K > - 0 0 63 3,-0.3 3,-1.4 -3,-0.1 -1,-0.2 -0.937 57.7-119.8-105.5 119.3 -38.1 -27.5 -21.6 42 47 A P T 3 S+ 0 0 103 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 -0.250 91.7 2.3 -54.7 137.2 -39.6 -27.2 -25.1 43 48 A N T 3 S+ 0 0 176 1,-0.1 0, 0.0 0, 0.0 0, 0.0 0.745 111.7 103.0 56.4 28.8 -37.9 -24.6 -27.3 44 49 A A S < S- 0 0 28 -3,-1.4 -3,-0.3 3,-0.0 -1,-0.1 -0.998 72.2-113.5-142.5 139.7 -35.5 -23.7 -24.6 45 50 A P - 0 0 70 0, 0.0 2,-0.1 0, 0.0 -4,-0.0 -0.249 37.8 -95.5 -69.8 155.1 -31.8 -24.6 -24.2 46 51 A E - 0 0 63 49,-0.1 49,-2.5 -6,-0.0 2,-0.3 -0.483 48.6-162.1 -61.4 138.2 -30.4 -26.8 -21.6 47 52 A L E -DE 38 94A 0 -9,-2.3 -9,-2.9 47,-0.2 2,-0.4 -0.849 13.8-144.4-119.4 161.8 -29.0 -24.8 -18.6 48 53 A F E -DE 37 93A 55 45,-3.1 45,-3.0 -2,-0.3 2,-0.5 -0.989 9.5-163.2-121.1 139.0 -26.7 -25.3 -15.7 49 54 A L E -DE 36 92A 1 -13,-2.8 -13,-3.2 -2,-0.4 2,-0.4 -0.987 3.8-166.6-119.5 124.0 -27.1 -23.8 -12.3 50 55 A K E -DE 35 91A 24 41,-2.7 41,-2.7 -2,-0.5 2,-0.5 -0.920 2.1-167.8-106.6 134.2 -24.2 -23.7 -9.8 51 56 A H E -DE 34 90A 27 -17,-2.4 -17,-2.6 -2,-0.4 2,-0.4 -0.965 4.7-176.8-125.3 118.3 -24.9 -22.9 -6.2 52 57 A G E - E 0 89A 0 37,-2.6 37,-2.4 -2,-0.5 2,-0.4 -0.928 5.4-165.2-111.8 134.2 -22.0 -22.1 -3.8 53 58 A K E > - E 0 88A 142 -2,-0.4 3,-1.2 35,-0.2 35,-0.2 -0.900 58.5 -22.5-111.7 147.0 -22.4 -21.4 -0.1 54 59 A G T >> S+ 0 0 33 33,-2.6 3,-1.4 -2,-0.4 4,-0.7 -0.284 135.7 1.0 60.6-133.9 -19.7 -19.8 2.1 55 60 A S H >> S+ 0 0 101 1,-0.3 3,-1.5 2,-0.2 4,-1.0 0.901 132.3 60.6 -54.2 -40.9 -16.2 -20.2 0.8 56 61 A V H <> S+ 0 0 35 -3,-1.2 4,-2.3 1,-0.3 -1,-0.3 0.783 92.4 66.9 -59.8 -27.0 -17.5 -22.0 -2.2 57 62 A A H <> S+ 0 0 0 -3,-1.4 4,-2.3 1,-0.2 -1,-0.3 0.856 97.6 53.8 -60.4 -35.1 -19.6 -18.9 -3.1 58 63 A N H < S+ 0 0 36 -4,-2.0 3,-1.5 1,-0.2 4,-0.2 0.972 117.5 46.7 -72.8 -53.4 -14.1 -11.9 -19.5 70 75 A L H >X S+ 0 0 0 -4,-3.0 3,-2.2 1,-0.3 4,-1.8 0.732 94.0 74.6 -69.7 -22.8 -13.0 -15.0 -21.5 71 76 A T T 3< S+ 0 0 62 -4,-1.7 -1,-0.3 -5,-0.3 5,-0.2 0.733 83.5 69.3 -68.3 -15.9 -16.0 -15.4 -23.6 72 77 A A T <4 S+ 0 0 81 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.795 115.7 25.4 -63.6 -24.7 -15.0 -12.4 -25.7 73 78 A F T <4 S+ 0 0 78 -3,-2.2 -2,-0.2 -4,-0.2 -1,-0.2 0.694 124.4 31.6-113.3 -25.9 -12.1 -14.6 -26.9 74 79 A X S < S- 0 0 10 -4,-1.8 2,-0.7 135,-0.0 -1,-0.1 -0.877 86.9 -90.7-137.4 159.6 -13.1 -18.3 -26.7 75 80 A P + 0 0 42 0, 0.0 134,-1.7 0, 0.0 -4,-0.1 -0.682 61.8 152.5 -80.3 116.1 -16.3 -20.4 -26.9 76 81 A L - 0 0 14 -2,-0.7 134,-0.1 132,-0.2 -9,-0.0 -0.850 51.9 -77.1-133.7 164.9 -17.7 -20.7 -23.4 77 82 A P - 0 0 12 0, 0.0 2,-0.4 0, 0.0 18,-0.1 -0.348 52.5-117.7 -59.3 150.0 -21.0 -21.1 -21.7 78 83 A T - 0 0 79 16,-0.3 16,-2.2 17,-0.1 2,-0.4 -0.794 20.9-121.1 -94.6 133.2 -23.1 -17.9 -21.7 79 84 A I E +F 93 0A 19 -2,-0.4 14,-0.2 14,-0.2 3,-0.1 -0.585 32.0 173.8 -71.0 122.3 -24.1 -16.3 -18.4 80 85 A K E - 0 0 74 12,-3.1 2,-0.3 -2,-0.4 13,-0.2 0.786 67.3 -16.5 -93.3 -35.0 -27.8 -16.1 -18.1 81 86 A H E -F 92 0A 1 11,-1.5 11,-3.2 263,-0.2 -1,-0.4 -0.947 55.4-168.9-171.0 140.7 -28.0 -14.8 -14.5 82 87 A F E -FG 91 343A 0 261,-1.7 261,-2.2 -2,-0.3 2,-0.4 -0.997 5.3-169.6-140.5 141.1 -25.8 -14.6 -11.4 83 88 A I E -FG 90 342A 16 7,-2.5 7,-2.6 -2,-0.3 2,-0.4 -0.995 2.9-169.5-131.2 136.7 -26.7 -13.7 -7.9 84 89 A R E +FG 89 341A 13 257,-2.4 257,-1.9 -2,-0.4 5,-0.2 -0.989 11.3 168.1-124.9 122.4 -24.4 -12.9 -4.9 85 90 A T E > -F 88 0A 32 3,-3.0 3,-0.7 -2,-0.4 255,-0.2 -0.716 56.0 -84.8-116.7 172.7 -25.7 -12.7 -1.4 86 91 A P T 3 S+ 0 0 76 0, 0.0 252,-0.1 0, 0.0 254,-0.1 0.860 125.7 14.7 -48.8 -43.1 -23.5 -12.5 1.8 87 92 A D T 3 S+ 0 0 108 -34,-0.1 -33,-2.6 -30,-0.0 2,-0.3 0.289 122.7 63.6-114.4 6.3 -23.2 -16.3 2.1 88 93 A D E < -EF 53 85A 34 -3,-0.7 -3,-3.0 -35,-0.2 2,-0.4 -0.972 47.5-172.4-138.7 148.8 -24.4 -17.5 -1.3 89 94 A A E -EF 52 84A 0 -37,-2.4 -37,-2.6 -2,-0.3 2,-0.5 -0.995 6.8-168.7-135.8 132.6 -23.7 -17.4 -5.0 90 95 A W E -EF 51 83A 10 -7,-2.6 -7,-2.5 -2,-0.4 2,-0.5 -0.986 3.7-172.9-119.6 128.8 -25.9 -18.7 -7.8 91 96 A L E -EF 50 82A 3 -41,-2.7 -41,-2.7 -2,-0.5 2,-0.6 -0.962 1.7-170.4-125.5 114.4 -24.6 -18.9 -11.4 92 97 A L E +EF 49 81A 0 -11,-3.2 -12,-3.1 -2,-0.5 -11,-1.5 -0.912 15.8 169.8-106.5 119.6 -26.9 -19.9 -14.2 93 98 A T E -EF 48 79A 16 -45,-3.0 -45,-3.1 -2,-0.6 2,-0.3 -0.881 37.1-107.7-126.6 157.5 -25.3 -20.6 -17.6 94 99 A T E -E 47 0A 29 -16,-2.2 -16,-0.3 -2,-0.3 -47,-0.2 -0.669 43.1-116.1 -78.9 138.9 -26.3 -22.1 -21.0 95 100 A A - 0 0 18 -49,-2.5 -49,-0.1 -2,-0.3 -17,-0.1 -0.413 13.0-128.4 -73.4 147.4 -25.0 -25.5 -21.6 96 101 A I - 0 0 27 -2,-0.1 105,-0.1 -19,-0.1 112,-0.1 -0.906 36.6-124.5 -89.7 114.0 -22.6 -26.3 -24.3 97 102 A P + 0 0 78 0, 0.0 2,-0.3 0, 0.0 110,-0.1 -0.259 66.5 43.2 -61.6 145.1 -24.2 -29.2 -26.1 98 103 A G S S- 0 0 44 104,-0.1 2,-0.3 102,-0.0 104,-0.2 -0.812 84.7 -54.5 126.3-160.9 -22.3 -32.4 -26.5 99 104 A K E -L 201 0B 80 102,-2.8 102,-3.7 -2,-0.3 2,-0.0 -0.834 49.7-100.4-121.4 157.2 -20.0 -34.7 -24.6 100 105 A T E > -L 200 0B 20 -2,-0.3 4,-2.5 100,-0.2 5,-0.2 -0.309 34.4-110.8 -70.3 160.3 -16.7 -34.2 -22.7 101 106 A A H > S+ 0 0 0 98,-2.0 4,-2.2 95,-0.8 96,-0.2 0.879 122.0 54.5 -55.0 -40.1 -13.3 -35.1 -24.3 102 107 A F H > S+ 0 0 47 94,-2.0 4,-1.9 97,-0.2 -1,-0.2 0.936 108.0 47.4 -59.2 -50.4 -13.2 -37.9 -21.7 103 108 A Q H > S+ 0 0 70 93,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.923 113.9 46.1 -59.8 -45.7 -16.6 -39.3 -22.8 104 109 A V H X S+ 0 0 18 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.858 108.4 56.6 -69.9 -32.6 -15.8 -39.2 -26.5 105 110 A L H < S+ 0 0 1 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.896 111.5 43.8 -64.4 -37.8 -12.3 -40.7 -25.9 106 111 A E H < S+ 0 0 39 -4,-1.9 686,-2.5 1,-0.2 -2,-0.2 0.835 116.8 45.4 -73.7 -33.9 -14.0 -43.7 -24.2 107 112 A E H < S+ 0 0 69 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.775 124.5 32.2 -83.0 -27.0 -16.8 -44.0 -26.8 108 113 A Y >< + 0 0 82 -4,-2.5 3,-2.6 -5,-0.2 -1,-0.2 -0.598 66.1 168.1-129.0 71.0 -14.4 -43.7 -29.8 109 114 A P G > S+ 0 0 6 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.810 78.9 58.4 -54.4 -34.7 -11.1 -45.3 -28.7 110 115 A D G 3 S+ 0 0 46 1,-0.2 3,-0.3 2,-0.1 4,-0.2 0.586 97.6 62.6 -69.6 -12.7 -9.9 -45.2 -32.4 111 116 A S G <> + 0 0 31 -3,-2.6 4,-2.7 -7,-0.2 3,-0.3 0.348 68.3 108.1 -96.2 5.5 -10.4 -41.4 -32.4 112 117 A G H <> S+ 0 0 0 -3,-1.3 4,-2.7 1,-0.2 5,-0.2 0.864 76.8 51.7 -48.8 -44.2 -7.8 -40.7 -29.7 113 118 A E H > S+ 0 0 58 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.903 112.7 44.1 -67.2 -40.9 -5.3 -39.2 -32.1 114 119 A N H > S+ 0 0 114 -3,-0.3 4,-2.3 -4,-0.2 -1,-0.2 0.875 112.5 54.0 -69.0 -37.5 -7.8 -36.8 -33.6 115 120 A I H X S+ 0 0 6 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.947 109.6 46.2 -61.9 -48.0 -9.1 -35.9 -30.2 116 121 A V H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.903 111.3 51.8 -62.1 -43.6 -5.6 -35.0 -28.9 117 122 A D H X S+ 0 0 29 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.923 111.3 47.9 -58.8 -45.2 -4.7 -32.9 -32.0 118 123 A A H X S+ 0 0 32 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.915 112.4 49.3 -60.8 -42.9 -8.0 -31.0 -31.5 119 124 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.919 111.9 48.5 -62.8 -45.6 -7.3 -30.5 -27.8 120 125 A A H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.902 112.2 48.2 -61.3 -42.9 -3.7 -29.3 -28.6 121 126 A V H X S+ 0 0 76 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.904 112.1 48.9 -66.6 -42.1 -5.0 -26.8 -31.3 122 127 A F H X S+ 0 0 4 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.908 109.8 52.2 -62.0 -42.9 -7.6 -25.4 -29.0 123 128 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.905 106.8 53.3 -63.5 -38.9 -5.1 -25.0 -26.2 124 129 A R H X S+ 0 0 97 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.882 106.5 52.8 -61.1 -40.6 -2.8 -23.1 -28.6 125 130 A R H < S+ 0 0 117 -4,-1.8 4,-0.4 2,-0.2 3,-0.3 0.927 111.2 46.7 -57.6 -47.7 -5.7 -20.7 -29.4 126 131 A L H >< S+ 0 0 0 -4,-2.1 3,-1.6 1,-0.2 63,-0.3 0.949 112.4 49.2 -61.3 -48.1 -6.2 -20.1 -25.7 127 132 A H H 3< S+ 0 0 12 -4,-2.8 62,-0.4 1,-0.3 -1,-0.2 0.692 100.6 66.8 -67.4 -18.1 -2.5 -19.5 -25.0 128 133 A S T 3< + 0 0 86 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.569 69.3 112.6 -81.6 -7.5 -2.3 -17.1 -28.0 129 134 A I S < S- 0 0 12 -3,-1.6 60,-0.5 -4,-0.4 5,-0.1 -0.515 81.4-112.4 -65.3 120.9 -4.5 -14.5 -26.3 130 135 A P > - 0 0 80 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.331 18.5-131.0 -59.6 133.9 -2.1 -11.6 -25.6 131 136 A V G > S+ 0 0 48 1,-0.3 3,-1.9 56,-0.2 86,-0.1 0.718 100.9 77.0 -60.1 -21.2 -1.7 -11.3 -21.8 132 137 A C G 3 S+ 0 0 37 1,-0.3 -1,-0.3 268,-0.1 273,-0.1 0.702 90.9 57.2 -60.8 -18.1 -2.4 -7.6 -22.0 133 138 A N G < S+ 0 0 54 -3,-2.3 -1,-0.3 271,-0.1 -2,-0.2 0.626 91.2 88.1 -80.5 -15.8 -6.1 -8.6 -22.4 134 139 A C < - 0 0 0 -3,-1.9 83,-0.1 -4,-0.2 267,-0.1 -0.784 45.9-177.7-106.8 118.4 -6.2 -10.5 -19.1 135 140 A P + 0 0 13 0, 0.0 261,-3.6 0, 0.0 2,-0.5 0.394 61.0 94.8 -87.1 1.7 -7.1 -9.0 -15.7 136 141 A F B -N 395 0C 6 259,-0.3 81,-2.9 339,-0.1 2,-0.6 -0.840 57.7-157.3-105.6 130.1 -6.6 -12.3 -13.8 137 142 A N B +o 217 0D 11 257,-2.5 81,-0.1 -2,-0.5 79,-0.0 -0.906 26.6 154.3 -99.0 119.9 -3.4 -13.4 -12.1 138 143 A S + 0 0 5 79,-2.0 81,-0.2 -2,-0.6 -1,-0.1 -0.068 27.0 148.9-128.1 31.9 -3.1 -17.1 -11.6 139 144 A D > - 0 0 58 79,-0.1 4,-2.9 1,-0.1 3,-0.3 -0.056 63.6 -99.5 -73.3 170.9 0.7 -17.4 -11.5 140 145 A R H > S+ 0 0 65 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.831 122.7 56.1 -61.4 -32.7 2.6 -20.0 -9.5 141 146 A V H > S+ 0 0 74 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.940 112.6 42.1 -61.3 -45.6 3.3 -17.5 -6.7 142 147 A F H > S+ 0 0 16 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.906 116.7 47.5 -65.7 -46.0 -0.5 -16.9 -6.3 143 148 A R H X S+ 0 0 5 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.882 108.0 55.4 -67.8 -37.3 -1.3 -20.6 -6.7 144 149 A L H X S+ 0 0 21 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.2 0.873 108.7 48.0 -61.2 -37.4 1.4 -21.7 -4.2 145 150 A A H X S+ 0 0 13 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.877 111.4 50.1 -71.4 -38.6 -0.2 -19.4 -1.6 146 151 A Q H X S+ 0 0 67 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.901 111.5 49.9 -61.7 -41.0 -3.6 -20.8 -2.4 147 152 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.900 107.7 53.3 -66.3 -42.0 -2.1 -24.3 -2.0 148 153 A Q H X S+ 0 0 86 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.902 110.4 46.8 -59.2 -43.0 -0.5 -23.5 1.3 149 154 A S H X S+ 0 0 56 -4,-1.9 4,-2.6 2,-0.2 6,-0.2 0.918 110.9 51.1 -69.9 -43.2 -3.8 -22.2 2.8 150 155 A R H <>S+ 0 0 70 -4,-2.2 5,-2.7 2,-0.2 6,-0.7 0.906 113.1 46.7 -59.4 -41.3 -5.8 -25.3 1.5 151 156 A X H ><5S+ 0 0 25 -4,-2.5 3,-1.4 4,-0.2 -2,-0.2 0.965 115.7 44.7 -61.4 -50.5 -3.1 -27.5 3.1 152 157 A N H 3<5S+ 0 0 114 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.784 110.2 54.6 -68.7 -27.2 -3.2 -25.5 6.4 153 158 A N T 3<5S- 0 0 116 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.483 115.9-114.3 -86.8 -2.6 -7.0 -25.3 6.5 154 159 A G T < 5S+ 0 0 63 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.681 80.4 122.9 84.1 22.1 -7.2 -29.1 6.2 155 160 A L < + 0 0 94 -5,-2.7 -4,-0.2 -6,-0.2 2,-0.2 0.523 30.7 113.4 -96.6 -9.4 -8.8 -29.1 2.8 156 161 A V - 0 0 20 -6,-0.7 2,-1.4 -5,-0.2 3,-0.1 -0.445 64.9-133.1 -71.7 132.8 -6.4 -31.1 0.6 157 162 A D > + 0 0 75 107,-0.3 3,-1.9 -2,-0.2 -1,-0.1 -0.656 27.9 177.2 -84.8 88.8 -7.8 -34.5 -0.6 158 163 A A G > S+ 0 0 42 -2,-1.4 3,-0.8 1,-0.3 9,-0.5 0.694 75.5 63.9 -69.0 -17.0 -4.8 -36.7 0.2 159 164 A S G 3 S+ 0 0 102 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.550 98.1 57.6 -79.0 -5.7 -6.8 -39.8 -1.0 160 165 A D G < S+ 0 0 109 -3,-1.9 -1,-0.2 104,-0.1 -2,-0.2 0.182 74.7 130.1-114.6 16.6 -6.8 -38.3 -4.5 161 166 A F < - 0 0 12 -3,-0.8 5,-0.1 4,-0.1 100,-0.1 -0.264 67.6 -92.2 -66.2 158.2 -3.0 -37.9 -5.2 162 167 A D > - 0 0 25 98,-0.1 3,-2.2 1,-0.1 4,-0.2 -0.285 44.5 -99.5 -64.5 159.8 -1.5 -39.3 -8.3 163 168 A D G > S+ 0 0 79 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.841 122.4 58.7 -54.3 -39.3 -0.1 -42.8 -8.2 164 169 A E G 3 S+ 0 0 67 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.694 115.7 36.8 -66.8 -16.9 3.5 -41.7 -7.7 165 170 A R G X S+ 0 0 5 -3,-2.2 3,-2.3 3,-0.1 -1,-0.3 0.157 82.7 144.5-116.9 17.1 2.4 -39.8 -4.5 166 171 A N T < S+ 0 0 85 -3,-1.6 -7,-0.1 1,-0.3 -4,-0.1 -0.367 76.7 8.4 -61.6 127.5 -0.2 -42.3 -3.3 167 172 A G T 3 S+ 0 0 14 -9,-0.5 -1,-0.3 1,-0.3 -8,-0.1 0.424 92.5 140.9 82.6 -2.7 -0.1 -42.4 0.5 168 173 A W < - 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F 01493R 5 -30,-2.1 -30,-2.7 -2,-0.4 2,-0.2 -0.903 62.6 -59.3-159.1 179.1 37.3 -64.9 28.8 1524 224 F D E > - F 01492R 8 -2,-0.3 3,-2.5 -32,-0.2 4,-0.4 -0.488 48.4-120.6 -72.1 142.6 40.3 -66.5 30.4 1525 225 F R T >> S+ 0 0 54 -34,-2.1 4,-2.0 1,-0.3 3,-1.0 0.773 109.8 70.1 -59.4 -24.0 40.1 -70.3 30.6 1526 226 F Y H 3> S+ 0 0 11 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.654 78.9 76.8 -68.6 -13.6 40.3 -70.1 34.4 1527 227 F Q H <> S+ 0 0 4 -3,-2.5 4,-0.9 2,-0.2 -28,-0.3 0.912 109.5 28.3 -57.4 -41.4 36.8 -68.5 34.5 1528 228 F D H <> S+ 0 0 0 -3,-1.0 4,-1.9 -4,-0.4 5,-0.3 0.844 119.1 55.1 -89.1 -41.0 35.4 -72.1 33.9 1529 229 F L H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.942 108.9 49.9 -56.0 -45.4 38.2 -74.1 35.5 1530 230 F A H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.918 110.1 47.3 -61.7 -48.0 37.8 -72.1 38.8 1531 231 F I H X S+ 0 0 7 -4,-0.9 4,-1.9 -5,-0.3 -30,-0.2 0.913 117.1 42.8 -65.2 -41.0 34.1 -72.5 39.2 1532 232 F L H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.891 113.2 52.8 -70.4 -41.0 34.2 -76.2 38.4 1533 233 F W H X S+ 0 0 48 -4,-2.8 4,-0.7 -5,-0.3 -2,-0.2 0.922 107.5 53.3 -58.9 -43.9 37.2 -76.7 40.6 1534 234 F N H >< S+ 0 0 39 -4,-3.0 3,-1.6 1,-0.2 4,-0.4 0.954 108.6 48.1 -55.8 -51.9 35.4 -75.0 43.4 1535 235 F C H >< S+ 0 0 23 -4,-1.9 3,-1.4 1,-0.3 -1,-0.2 0.831 103.6 61.3 -60.8 -33.8 32.4 -77.3 43.1 1536 236 F L H >X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.3 3,-1.7 0.682 86.3 77.9 -68.9 -15.5 34.7 -80.4 43.1 1537 237 F G T << S+ 0 0 33 -3,-1.6 -1,-0.3 -4,-0.7 -2,-0.2 0.800 81.4 65.5 -60.3 -30.4 35.8 -79.3 46.6 1538 238 F E T <4 S+ 0 0 129 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.567 112.8 35.1 -68.3 -5.3 32.6 -80.7 48.0 1539 239 F F T <4 S- 0 0 55 -3,-1.7 -2,-0.2 1,-0.2 -1,-0.1 0.790 125.3 -43.5-113.8 -64.0 33.9 -84.1 46.9 1540 240 F S X - 0 0 31 -4,-1.9 4,-1.9 1,-0.1 -1,-0.2 -0.955 31.7-122.9-168.6 152.8 37.7 -84.2 47.3 1541 241 F P H > S+ 0 0 100 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.792 114.2 60.9 -65.8 -27.5 41.0 -82.3 46.7 1542 242 F S H > S+ 0 0 69 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.918 105.1 45.6 -64.9 -43.6 42.1 -85.3 44.7 1543 243 F L H > S+ 0 0 17 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.879 109.9 55.1 -67.0 -37.7 39.2 -84.7 42.3 1544 244 F Q H X S+ 0 0 26 -4,-1.9 4,-1.1 -8,-0.3 3,-0.3 0.947 111.9 43.8 -55.6 -50.3 39.9 -81.0 42.2 1545 245 F K H X S+ 0 0 130 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.870 108.5 58.0 -64.2 -38.4 43.5 -81.7 41.1 1546 246 F R H X S+ 0 0 48 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.836 97.0 62.7 -63.5 -33.9 42.4 -84.3 38.6 1547 247 F L H X S+ 0 0 0 -4,-1.8 4,-1.9 -3,-0.3 -1,-0.2 0.951 107.9 41.8 -57.1 -48.6 40.2 -81.8 36.8 1548 248 F F H X>S+ 0 0 2 -4,-1.1 5,-2.6 2,-0.2 4,-1.9 0.923 114.7 51.8 -63.5 -44.7 43.4 -79.7 36.0 1549 249 F Q H <5S+ 0 0 92 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.926 114.2 41.3 -57.7 -49.1 45.4 -82.8 35.1 1550 250 F K H <5S+ 0 0 99 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.814 111.1 57.0 -73.7 -27.9 42.8 -84.3 32.7 1551 251 F Y H <5S- 0 0 11 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.856 124.3-104.5 -69.2 -32.0 42.1 -80.9 31.3 1552 252 F G T <5S+ 0 0 50 -4,-1.9 2,-0.6 1,-0.2 -3,-0.2 0.487 79.7 122.0 123.6 8.8 45.8 -80.6 30.4 1553 253 F I < + 0 0 32 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.883 29.6 179.3-107.3 115.2 47.4 -78.3 33.0 1554 254 F D S S+ 0 0 132 -2,-0.6 -1,-0.2 1,-0.3 -5,-0.1 0.878 81.0 37.1 -79.3 -39.0 50.3 -79.7 35.1 1555 255 F N S S- 0 0 146 -7,-0.1 -1,-0.3 -6,-0.0 3,-0.0 -0.807 85.0-148.2-117.2 89.2 51.0 -76.6 37.1 1556 256 F P - 0 0 47 0, 0.0 2,-1.1 0, 0.0 3,-0.1 -0.240 20.4-119.1 -54.9 136.8 47.8 -74.8 37.8 1557 257 F D > - 0 0 62 1,-0.2 4,-2.5 2,-0.1 5,-0.2 -0.715 26.1-167.8 -80.0 100.3 48.2 -71.0 38.0 1558 258 F X H > S+ 0 0 118 -2,-1.1 4,-2.9 1,-0.2 5,-0.2 0.837 84.3 56.8 -63.5 -32.6 47.1 -70.4 41.6 1559 259 F N H > S+ 0 0 54 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.924 111.0 41.0 -61.0 -50.0 46.9 -66.6 41.0 1560 260 F K H > S+ 0 0 16 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.860 114.9 53.3 -67.6 -38.0 44.5 -67.0 38.1 1561 261 F L H X S+ 0 0 2 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.971 112.3 43.6 -57.1 -53.6 42.6 -69.6 40.1 1562 262 F Q H X S+ 0 0 87 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.886 111.1 54.7 -62.3 -42.7 42.2 -67.3 43.1 1563 263 F F H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.937 111.2 44.3 -57.1 -47.4 41.3 -64.3 41.0 1564 264 F H H X S+ 0 0 5 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.825 112.3 51.3 -71.4 -30.2 38.4 -66.2 39.3 1565 265 F L H X S+ 0 0 7 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.911 113.7 45.6 -67.4 -45.1 37.2 -67.7 42.5 1566 266 F X H >< S+ 0 0 2 -4,-2.7 3,-1.2 1,-0.2 4,-0.4 0.917 110.1 54.6 -63.5 -41.7 37.2 -64.2 44.1 1567 267 F L H >< S+ 0 0 2 -4,-2.8 3,-1.5 1,-0.3 -1,-0.2 0.893 102.2 56.9 -59.9 -40.5 35.5 -62.7 41.0 1568 268 F D H >< S+ 0 0 42 -4,-1.8 3,-1.4 1,-0.3 -1,-0.3 0.690 88.5 78.1 -67.7 -16.4 32.7 -65.2 41.3 1569 269 F E T << S+ 0 0 13 -3,-1.2 -107,-0.4 -4,-0.6 -1,-0.3 0.770 89.7 56.8 -58.8 -25.6 31.9 -64.0 44.9 1570 270 F F T < 0 0 1 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.511 360.0 360.0 -86.3 -5.8 30.2 -61.0 43.4 1571 271 F F < 0 0 52 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.2 0.490 360.0 360.0-115.5 360.0 27.7 -62.8 41.3