==== 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 4FEU . 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 . 1529 13 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 70460.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1088 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 . 272 17.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 95 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 196 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 479 31.3 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 0 0 0 6 0 5 4 15 0 5 1 4 6 2 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 . 6 8 6 13 11 3 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 3 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 19 A L > 0 0 167 0, 0.0 3,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 133.6 -35.9 16.4 -5.2 2 20 A D T 3 + 0 0 13 1,-0.2 3,-0.3 2,-0.1 66,-0.0 0.431 360.0 109.9 -64.8 -1.9 -35.0 18.3 -8.4 3 21 A A T > + 0 0 56 1,-0.3 3,-1.4 2,-0.1 -1,-0.2 0.566 53.0 89.2 -52.9 -11.9 -38.6 19.7 -8.7 4 22 A D T < S+ 0 0 64 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.1 -0.005 72.2 76.8 -75.6 28.4 -37.0 23.2 -7.8 5 23 A L T > + 0 0 2 -3,-0.3 3,-1.2 -2,-0.2 -1,-0.3 0.363 64.1 121.3-117.9 -6.1 -36.6 23.5 -11.6 6 24 A Y T < + 0 0 205 -3,-1.4 3,-0.1 1,-0.2 22,-0.0 -0.364 68.4 30.0 -66.9 144.6 -40.2 24.4 -12.5 7 25 A G T 3 S+ 0 0 33 1,-0.3 -1,-0.2 -2,-0.1 2,-0.2 0.210 93.5 124.4 93.2 -11.8 -40.9 27.7 -14.3 8 26 A Y < - 0 0 25 -3,-1.2 -1,-0.3 20,-0.1 2,-0.3 -0.560 55.8-138.8 -85.1 146.1 -37.5 27.7 -16.0 9 27 A R E -A 26 0A 123 17,-3.7 17,-1.9 -2,-0.2 2,-0.4 -0.709 26.3-134.4 -93.5 148.6 -36.8 27.9 -19.7 10 28 A W E +A 25 0A 21 253,-0.4 253,-1.1 -2,-0.3 2,-0.3 -0.887 26.4 170.3-115.9 143.6 -34.0 25.5 -21.0 11 29 A A E -AB 24 262A 1 13,-1.5 13,-2.6 -2,-0.4 2,-0.5 -0.976 27.3-133.9-144.6 146.0 -31.0 26.0 -23.3 12 30 A R E -AB 23 261A 12 249,-3.1 249,-2.2 -2,-0.3 2,-0.5 -0.941 23.9-151.2-105.3 120.2 -28.1 23.7 -24.1 13 31 A D E - B 0 260A 19 9,-2.3 2,-0.9 -2,-0.5 9,-0.5 -0.854 13.4-165.1-102.7 122.6 -24.7 25.4 -24.0 14 32 A N E + B 0 259A 2 245,-3.5 245,-2.2 -2,-0.5 1248,-0.1 -0.867 20.8 162.0-100.4 97.5 -21.7 24.4 -26.1 15 33 A V - 0 0 65 -2,-0.9 -1,-0.1 243,-0.2 242,-0.1 -0.018 69.4 -96.1-104.6 25.9 -18.8 26.3 -24.4 16 34 A G S S+ 0 0 38 1,-0.1 -2,-0.1 1243,-0.1 1246,-0.1 0.763 75.2 157.8 63.6 31.1 -16.3 23.9 -26.0 17 35 A Q - 0 0 29 3,-0.1 2,-0.7 1,-0.1 -1,-0.1 -0.162 45.8-108.6 -77.4 172.5 -16.1 21.7 -22.9 18 36 A S S S- 0 0 71 1245,-0.1 2,-0.9 1244,-0.1 -1,-0.1 -0.889 79.4 -34.2-113.5 100.6 -15.0 18.1 -22.6 19 37 A G S S+ 0 0 24 -2,-0.7 21,-0.1 1,-0.1 24,-0.1 -0.533 97.9 106.3 102.0 -67.0 -17.8 15.6 -21.9 20 38 A A - 0 0 6 -2,-0.9 2,-0.5 23,-0.1 19,-0.2 -0.171 62.2-130.6 -61.7 138.7 -20.5 17.3 -19.7 21 39 A T E - C 0 38A 20 17,-3.0 17,-2.7 -7,-0.1 2,-0.5 -0.788 24.2-160.0 -87.0 126.0 -23.9 18.5 -20.8 22 40 A I E - C 0 37A 19 -2,-0.5 -9,-2.3 -9,-0.5 2,-0.4 -0.963 6.4-169.7-110.5 123.1 -24.4 22.0 -19.6 23 41 A Y E -AC 12 36A 0 13,-3.0 13,-2.4 -2,-0.5 2,-0.4 -0.936 12.0-147.2-110.4 135.9 -28.0 23.4 -19.5 24 42 A R E -AC 11 35A 38 -13,-2.6 -13,-1.5 -2,-0.4 2,-0.6 -0.900 10.9-155.2-101.6 130.5 -28.7 27.1 -18.9 25 43 A L E +AC 10 34A 0 9,-3.1 9,-2.2 -2,-0.4 2,-0.2 -0.962 32.7 139.6-114.5 114.0 -31.9 27.7 -16.9 26 44 A Y E +A 9 0A 29 -17,-1.9 -17,-3.7 -2,-0.6 7,-0.0 -0.739 31.3 62.9-139.3-176.1 -33.5 31.1 -17.5 27 45 A G + 0 0 57 -2,-0.2 -1,-0.1 1,-0.2 -17,-0.1 0.531 62.1 140.7 67.8 12.6 -36.8 33.0 -18.0 28 46 A K > - 0 0 75 3,-0.2 3,-2.0 -19,-0.1 -1,-0.2 -0.773 62.0-105.4 -88.7 124.8 -38.2 32.2 -14.5 29 47 A P T 3 S- 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -21,-0.0 -0.267 95.0 -17.2 -55.0 118.7 -40.1 35.1 -12.9 30 48 A N T 3 S+ 0 0 182 1,-0.2 -2,-0.0 -2,-0.1 0, 0.0 0.664 110.8 118.1 55.9 27.2 -38.0 36.7 -10.1 31 49 A A < - 0 0 26 -3,-2.0 -1,-0.2 -24,-0.1 -3,-0.2 -0.869 65.9-111.0-116.6 147.5 -35.7 33.5 -9.9 32 50 A P - 0 0 76 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 -0.349 36.1 -92.4 -78.7 165.7 -32.0 33.6 -10.7 33 51 A E - 0 0 68 49,-0.1 49,-1.9 -2,-0.1 2,-0.3 -0.472 48.3-165.0 -68.9 141.2 -30.3 32.0 -13.7 34 52 A L E -CD 25 81A 0 -9,-2.2 -9,-3.1 47,-0.2 2,-0.4 -0.920 13.1-146.6-127.5 158.4 -29.1 28.5 -12.9 35 53 A F E -CD 24 80A 51 45,-2.6 45,-2.9 -2,-0.3 2,-0.5 -0.973 6.9-163.8-122.8 138.9 -26.7 26.0 -14.6 36 54 A L E -CD 23 79A 1 -13,-2.4 -13,-3.0 -2,-0.4 2,-0.4 -0.996 4.8-165.1-124.2 116.8 -27.2 22.2 -14.6 37 55 A K E -CD 22 78A 37 41,-2.5 41,-3.0 -2,-0.5 2,-0.4 -0.883 5.6-166.3 -98.8 133.5 -24.2 20.1 -15.6 38 56 A H E -CD 21 77A 8 -17,-2.7 -17,-3.0 -2,-0.4 2,-0.4 -0.996 3.7-170.9-126.9 126.4 -24.8 16.4 -16.4 39 57 A G E - D 0 76A 0 37,-2.5 37,-2.1 -2,-0.4 2,-0.3 -0.982 3.4-164.0-119.2 127.7 -22.1 13.7 -16.7 40 58 A K E > - D 0 75A 81 -2,-0.4 3,-1.9 35,-0.2 35,-0.2 -0.838 60.6 -24.6-107.8 143.2 -22.7 10.2 -18.0 41 59 A G T > S+ 0 0 30 33,-1.6 3,-0.9 -2,-0.3 4,-0.5 -0.328 138.4 0.4 58.7-122.4 -20.3 7.3 -17.5 42 60 A S T >> S+ 0 0 87 1,-0.2 4,-1.0 2,-0.2 3,-0.6 0.725 129.8 65.2 -68.4 -25.2 -16.7 8.6 -16.8 43 61 A V H <> S+ 0 0 24 -3,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.762 86.7 69.9 -70.7 -22.1 -18.0 12.1 -17.1 44 62 A A H <> S+ 0 0 0 -3,-0.9 4,-2.2 30,-0.3 -1,-0.2 0.899 98.2 51.7 -60.0 -36.5 -20.0 11.5 -14.0 45 63 A N H <> S+ 0 0 56 -3,-0.6 4,-3.1 -4,-0.5 -2,-0.2 0.915 107.3 50.9 -66.5 -42.8 -16.6 11.5 -12.2 46 64 A D H X S+ 0 0 80 -4,-1.0 4,-1.8 2,-0.2 -2,-0.2 0.889 112.8 45.6 -60.5 -42.9 -15.6 14.9 -13.7 47 65 A V H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.880 113.7 50.4 -67.6 -38.7 -18.9 16.5 -12.6 48 66 A T H X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.944 108.5 52.5 -64.1 -45.9 -18.4 14.8 -9.1 49 67 A D H X S+ 0 0 42 -4,-3.1 4,-1.4 1,-0.2 -2,-0.2 0.852 110.3 48.0 -55.6 -42.9 -14.8 16.3 -9.0 50 68 A E H X S+ 0 0 15 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.914 107.2 56.1 -65.0 -46.2 -16.2 19.8 -9.7 51 69 A X H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.876 108.8 45.8 -53.7 -45.7 -18.9 19.5 -7.1 52 70 A V H X S+ 0 0 2 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.890 114.5 48.4 -67.6 -37.3 -16.4 18.8 -4.3 53 71 A R H X S+ 0 0 7 -4,-1.4 4,-3.2 2,-0.2 -2,-0.2 0.869 112.2 47.5 -70.8 -38.7 -14.1 21.6 -5.4 54 72 A L H X S+ 0 0 3 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.952 113.6 50.1 -63.7 -51.7 -16.9 24.1 -5.6 55 73 A N H < S+ 0 0 31 -4,-2.6 4,-0.3 -5,-0.2 -2,-0.2 0.900 119.2 36.5 -54.1 -46.4 -18.1 22.9 -2.1 56 74 A W H >< S+ 0 0 38 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.932 117.2 49.2 -72.6 -52.0 -14.5 23.3 -0.7 57 75 A L H >X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 3,-2.3 0.751 92.5 77.2 -65.5 -22.1 -13.4 26.5 -2.5 58 76 A T T 3< S+ 0 0 70 -4,-2.1 -1,-0.2 1,-0.3 5,-0.1 0.751 84.9 63.5 -61.4 -24.7 -16.6 28.5 -1.7 59 77 A A T <4 S+ 0 0 84 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.622 119.2 25.9 -72.3 -10.5 -15.2 29.1 1.9 60 78 A F T <4 S+ 0 0 75 -3,-2.3 -2,-0.2 1,-0.2 -1,-0.1 0.753 121.7 28.8-120.2 -38.4 -12.4 31.0 0.2 61 79 A X S < S- 0 0 11 -4,-2.3 2,-0.7 135,-0.0 -1,-0.2 -0.817 84.5 -89.8-127.4 163.8 -13.3 32.5 -3.3 62 80 A P + 0 0 40 0, 0.0 134,-1.6 0, 0.0 -4,-0.1 -0.667 63.1 150.5 -81.0 113.9 -16.4 33.8 -5.1 63 81 A L - 0 0 16 -2,-0.7 134,-0.1 132,-0.2 2,-0.0 -0.906 52.6 -76.1-134.5 168.0 -17.9 30.8 -6.9 64 82 A P - 0 0 10 0, 0.0 2,-0.3 0, 0.0 18,-0.1 -0.410 54.0-117.2 -64.3 142.7 -21.3 29.4 -8.1 65 83 A T - 0 0 76 17,-0.1 16,-1.6 1,-0.0 2,-0.7 -0.638 19.7-119.7 -81.9 137.0 -23.4 28.0 -5.2 66 84 A I E +E 80 0A 18 -2,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.695 36.2 169.7 -80.3 110.3 -24.4 24.3 -5.1 67 85 A K E - 0 0 70 12,-2.2 2,-0.3 -2,-0.7 13,-0.2 0.877 68.6 -8.1 -84.1 -45.9 -28.2 24.1 -5.1 68 86 A H E -E 79 0A 10 11,-1.6 11,-2.9 270,-0.2 2,-0.3 -0.985 57.3-172.7-156.1 141.1 -28.5 20.4 -5.7 69 87 A F E -EF 78 337A 0 268,-2.2 268,-2.8 -2,-0.3 2,-0.4 -0.988 6.2-173.6-138.8 129.7 -26.2 17.5 -6.6 70 88 A I E -EF 77 336A 22 7,-2.2 7,-2.5 -2,-0.3 2,-0.4 -0.988 1.5-174.0-125.2 134.0 -27.2 13.8 -7.5 71 89 A R E +EF 76 335A 13 264,-2.6 264,-2.1 -2,-0.4 5,-0.2 -0.998 10.6 163.5-129.7 127.1 -24.9 10.8 -8.0 72 90 A T - 0 0 36 3,-2.4 3,-0.4 -2,-0.4 262,-0.2 -0.783 60.9 -81.6-127.0 167.3 -26.1 7.3 -9.2 73 91 A P S S+ 0 0 80 0, 0.0 261,-0.1 0, 0.0 -29,-0.1 0.805 127.1 17.3 -49.0 -34.4 -23.6 4.7 -10.6 74 92 A D S S+ 0 0 103 1,-0.1 -33,-1.6 -30,-0.1 2,-0.4 0.510 119.1 65.1-112.4 -9.7 -23.5 6.2 -14.1 75 93 A D E -D 40 0A 42 -3,-0.4 -3,-2.4 -35,-0.2 2,-0.4 -0.950 45.6-176.5-128.4 143.1 -24.9 9.8 -13.7 76 94 A A E -DE 39 71A 0 -37,-2.1 -37,-2.5 -2,-0.4 2,-0.5 -0.996 9.2-168.0-130.7 130.1 -23.9 13.0 -11.9 77 95 A W E -DE 38 70A 17 -7,-2.5 -7,-2.2 -2,-0.4 2,-0.5 -0.995 1.7-169.8-123.4 122.7 -26.2 16.0 -11.9 78 96 A L E -DE 37 69A 2 -41,-3.0 -41,-2.5 -2,-0.5 2,-0.5 -0.921 1.8-173.5-121.5 106.3 -24.8 19.4 -10.7 79 97 A L E +DE 36 68A 1 -11,-2.9 -12,-2.2 -2,-0.5 -11,-1.6 -0.857 18.5 160.4-100.3 120.3 -27.3 22.3 -10.2 80 98 A T E -DE 35 66A 15 -45,-2.9 -45,-2.6 -2,-0.5 -14,-0.2 -0.901 40.5-104.2-135.1 164.3 -25.7 25.6 -9.4 81 99 A T E -D 34 0A 33 -16,-1.6 -47,-0.2 -2,-0.3 2,-0.2 -0.528 42.5-112.5 -82.4 157.3 -26.5 29.3 -9.5 82 100 A A - 0 0 19 -49,-1.9 -17,-0.1 -2,-0.2 -49,-0.1 -0.592 16.0-125.2 -87.9 154.5 -24.9 31.5 -12.3 83 101 A I - 0 0 24 -2,-0.2 105,-0.1 -19,-0.1 112,-0.1 -0.881 38.2-123.0 -93.8 117.0 -22.3 34.2 -11.8 84 102 A P + 0 0 73 0, 0.0 2,-0.3 0, 0.0 110,-0.2 -0.321 68.2 34.6 -65.0 149.6 -23.9 37.3 -13.4 85 103 A G S S- 0 0 37 104,-0.1 2,-0.3 102,-0.1 104,-0.2 -0.754 87.5 -50.7 113.7-159.8 -21.9 39.1 -16.1 86 104 A K E -K 188 0B 81 102,-2.2 102,-3.4 -2,-0.3 2,-0.0 -0.842 51.4 -95.0-122.2 158.8 -19.6 38.2 -19.0 87 105 A T E > -K 187 0B 20 -2,-0.3 4,-2.1 100,-0.2 100,-0.2 -0.350 37.7-113.9 -67.2 152.9 -16.5 36.1 -19.5 88 106 A A H > S+ 0 0 0 98,-2.4 4,-3.0 95,-0.8 96,-0.2 0.872 119.5 55.1 -52.0 -43.2 -13.1 38.0 -19.3 89 107 A F H > S+ 0 0 17 94,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.947 107.7 46.7 -55.0 -57.9 -12.7 37.1 -23.0 90 108 A Q H > S+ 0 0 54 93,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.826 115.0 47.8 -55.2 -39.1 -16.1 38.7 -24.0 91 109 A V H X S+ 0 0 22 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.951 111.7 49.3 -66.5 -51.4 -15.3 41.8 -22.0 92 110 A L H < S+ 0 0 5 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.803 113.2 47.9 -55.7 -39.5 -11.7 42.1 -23.5 93 111 A E H < S+ 0 0 118 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.892 115.2 43.5 -69.9 -44.6 -13.2 41.7 -27.1 94 112 A E H < S+ 0 0 71 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.833 125.5 31.1 -71.6 -37.7 -16.0 44.3 -26.5 95 113 A Y >< + 0 0 120 -4,-2.6 3,-1.8 1,-0.1 -1,-0.2 -0.726 62.0 171.8-124.8 80.7 -13.8 46.9 -24.8 96 114 A P G > S+ 0 0 103 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.816 80.1 62.0 -58.0 -30.0 -10.1 46.7 -26.0 97 115 A D G 3 S+ 0 0 154 1,-0.2 3,-0.2 2,-0.1 4,-0.2 0.575 95.3 61.3 -70.3 -13.9 -9.3 49.9 -24.1 98 116 A S G <> S+ 0 0 46 -3,-1.8 4,-2.5 -7,-0.2 3,-0.5 0.431 72.9 107.1 -91.7 -0.7 -10.1 48.1 -20.8 99 117 A G H <> S+ 0 0 0 -3,-1.3 4,-2.7 1,-0.2 5,-0.2 0.864 77.4 47.6 -39.9 -57.4 -7.3 45.5 -21.4 100 118 A E H > S+ 0 0 73 -3,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.840 113.4 47.0 -59.9 -40.5 -5.0 46.9 -18.8 101 119 A N H > S+ 0 0 121 -3,-0.5 4,-2.3 -4,-0.2 -1,-0.2 0.880 113.5 49.6 -70.5 -38.1 -7.7 47.1 -16.0 102 120 A I H X S+ 0 0 6 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.955 111.5 47.3 -64.7 -51.5 -8.9 43.5 -16.9 103 121 A V H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.897 112.9 49.9 -58.8 -41.2 -5.3 42.0 -16.8 104 122 A D H X S+ 0 0 31 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.911 111.4 48.2 -63.7 -44.5 -4.7 43.8 -13.4 105 123 A A H X S+ 0 0 27 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.894 112.0 50.4 -62.6 -41.9 -8.0 42.4 -12.0 106 124 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.846 112.4 46.2 -63.7 -37.7 -7.1 38.9 -13.3 107 125 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.913 112.7 48.6 -74.3 -42.3 -3.6 39.1 -11.6 108 126 A V H X S+ 0 0 82 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.936 114.8 47.0 -59.6 -48.0 -4.9 40.4 -8.3 109 127 A F H X S+ 0 0 6 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.864 111.0 50.7 -62.5 -42.4 -7.6 37.6 -8.3 110 128 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.885 108.1 53.0 -66.8 -35.5 -5.1 35.0 -9.2 111 129 A R H X S+ 0 0 101 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.866 106.7 53.6 -62.9 -38.3 -2.9 36.2 -6.3 112 130 A R H X S+ 0 0 120 -4,-1.6 4,-0.6 2,-0.2 3,-0.3 0.916 112.0 43.8 -61.5 -49.4 -5.9 35.8 -3.9 113 131 A L H >< S+ 0 0 0 -4,-1.9 3,-1.3 1,-0.2 63,-0.3 0.931 114.2 49.8 -62.3 -47.9 -6.4 32.2 -5.0 114 132 A H H 3< S+ 0 0 12 -4,-2.5 62,-0.4 1,-0.2 -1,-0.2 0.710 104.7 60.6 -65.3 -21.1 -2.7 31.4 -4.9 115 133 A S H 3< S+ 0 0 84 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.598 71.7 112.2 -82.0 -17.7 -2.5 32.9 -1.3 116 134 A I S << S- 0 0 11 -3,-1.3 60,-0.5 -4,-0.6 5,-0.1 -0.440 84.8-107.6 -55.8 118.8 -5.0 30.4 0.2 117 135 A P > - 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0 0 12 -2,-0.8 134,-0.1 132,-0.2 18,-0.1 -0.917 51.5 -77.3-130.2 163.7 -14.9 -1.0 -0.7 330 82 B P - 0 0 16 0, 0.0 2,-0.3 0, 0.0 18,-0.1 -0.246 53.3-115.4 -60.3 147.1 -18.7 -0.4 -0.2 331 83 B T - 0 0 77 17,-0.1 16,-1.6 -7,-0.0 2,-0.6 -0.723 14.7-130.0 -90.5 135.9 -20.5 0.6 -3.5 332 84 B I E + J 0 346A 19 -2,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.733 30.8 169.3 -83.0 117.6 -22.3 4.0 -3.8 333 85 B K E S- 0 0 69 12,-2.5 2,-0.3 -2,-0.6 -1,-0.2 0.794 70.1 -1.1 -95.2 -35.9 -25.8 3.4 -5.1 334 86 B H E - J 0 345A 26 11,-1.5 11,-3.2 -262,-0.2 -1,-0.4 -0.990 57.9-176.7-154.7 145.5 -27.0 6.9 -4.5 335 87 B F E -FJ 71 344A 0 -264,-2.1 -264,-2.6 -2,-0.3 2,-0.4 -0.980 6.2-170.4-143.7 134.2 -25.7 10.2 -3.2 336 88 B I E -FJ 70 343A 38 7,-2.4 7,-2.6 -2,-0.3 2,-0.4 -0.993 2.3-172.7-127.1 133.3 -27.5 13.6 -2.7 337 89 B R E +FJ 69 342A 9 -268,-2.8 -268,-2.2 -2,-0.4 5,-0.2 -0.993 11.3 164.3-125.9 122.2 -26.1 17.0 -1.8 338 90 B T - 0 0 33 3,-3.0 3,-0.4 -2,-0.4 -270,-0.2 -0.647 59.5 -79.8-118.2 175.5 -28.3 20.1 -1.0 339 91 B P S S+ 0 0 92 0, 0.0 -273,-0.1 0, 0.0 -271,-0.1 0.866 125.3 11.7 -53.0 -43.1 -26.9 23.3 0.7 340 92 B D S S+ 0 0 89 -30,-0.1 -33,-2.2 -34,-0.0 2,-0.4 0.299 121.9 69.1-117.4 8.4 -26.9 22.0 4.4 341 93 B D E -I 306 0A 29 -3,-0.4 -3,-3.0 -35,-0.2 2,-0.4 -0.986 47.5-176.6-136.2 143.2 -27.5 18.2 3.8 342 94 B A E -IJ 305 337A 0 -37,-2.2 -37,-2.8 -2,-0.4 2,-0.4 -0.997 7.4-165.9-134.2 130.9 -25.7 15.2 2.3 343 95 B W E -IJ 304 336A 87 -7,-2.6 -7,-2.4 -2,-0.4 2,-0.5 -0.992 5.2-169.1-120.5 121.5 -27.3 11.7 1.9 344 96 B L E -IJ 303 335A 0 -41,-3.1 -41,-3.0 -2,-0.4 2,-0.6 -0.965 3.5-170.0-119.0 116.9 -25.0 8.7 1.1 345 97 B L E +IJ 302 334A 14 -11,-3.2 -12,-2.5 -2,-0.5 -11,-1.5 -0.943 20.3 163.2-108.6 115.5 -26.4 5.3 0.1 346 98 B T E -IJ 301 332A 9 -45,-2.1 -45,-3.0 -2,-0.6 2,-0.2 -0.901 38.7-105.8-130.8 158.0 -23.8 2.5 0.1 347 99 B T E -I 300 0A 23 -16,-1.6 -47,-0.3 -2,-0.3 2,-0.2 -0.593 36.6-120.1 -82.8 145.4 -23.8 -1.3 0.1 348 100 B A - 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