==== 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 TRANSFERASE 19-OCT-07 3B2S . COMPND 2 MOLECULE: TRICHOTHECENE 3-O-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GIBBERELLA ZEAE; . AUTHOR G.S.GARVEY,I.RAYMENT . 448 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17638.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 296 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 14.3 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 1 0.2 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 . 29 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 24.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 4 0 2 1 0 2 0 0 1 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 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 . 3 2 2 0 1 0 0 2 2 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 1 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 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 A 0 0 140 0, 0.0 2,-0.3 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 147.8 -60.4 -22.1 -19.4 2 3 A F - 0 0 43 51,-0.1 2,-0.2 2,-0.0 0, 0.0 -0.986 360.0-170.9-154.0 147.2 -58.1 -25.0 -19.6 3 4 A K + 0 0 117 -2,-0.3 2,-0.8 72,-0.2 72,-0.2 -0.701 18.8 179.2-146.2 86.5 -56.9 -27.6 -17.1 4 5 A I E -A 74 0A 35 70,-2.5 70,-3.3 -2,-0.2 2,-0.1 -0.838 23.4-137.7-102.0 108.2 -54.1 -29.5 -18.8 5 6 A Q E -A 73 0A 33 -2,-0.8 185,-0.3 68,-0.3 186,-0.3 -0.421 30.1-113.6 -60.1 133.0 -52.5 -32.2 -16.7 6 7 A L - 0 0 0 66,-2.3 150,-0.1 1,-0.1 -1,-0.1 -0.260 41.9 -80.2 -60.8 156.2 -48.7 -32.1 -17.1 7 8 A D > - 0 0 3 148,-0.3 3,-0.9 1,-0.1 4,-0.3 -0.305 42.6-118.4 -43.4 138.6 -46.9 -34.9 -18.8 8 9 A T G > S+ 0 0 13 182,-0.4 3,-1.7 1,-0.3 -1,-0.1 0.906 119.5 54.7 -52.7 -42.3 -46.4 -37.7 -16.2 9 10 A L G > S+ 0 0 2 1,-0.3 3,-1.3 297,-0.3 -1,-0.3 0.787 99.5 61.9 -59.2 -29.8 -42.7 -37.2 -16.6 10 11 A G G < S+ 0 0 0 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.491 85.3 75.2 -78.8 -2.2 -43.2 -33.5 -15.8 11 12 A Q G < + 0 0 7 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.400 66.1 124.2 -86.8 0.2 -44.5 -34.6 -12.3 12 13 A L X> - 0 0 5 -3,-1.3 4,-2.4 1,-0.1 3,-1.3 -0.464 66.8-134.7 -58.8 124.5 -40.8 -35.3 -11.4 13 14 A P H 3> S+ 0 0 37 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 0.838 103.9 56.5 -52.7 -36.4 -40.2 -33.2 -8.2 14 15 A G H 34 S+ 0 0 8 347,-0.4 4,-0.1 1,-0.2 140,-0.1 0.710 111.5 42.6 -70.4 -23.1 -36.8 -32.0 -9.7 15 16 A L H X4 S+ 0 0 16 -3,-1.3 3,-1.2 -6,-0.1 140,-0.7 0.841 107.0 59.0 -89.6 -39.8 -38.6 -30.6 -12.8 16 17 A L H 3< S+ 0 0 23 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.1 0.657 106.2 51.5 -59.1 -17.8 -41.6 -29.0 -11.1 17 18 A S T 3< S+ 0 0 43 -4,-0.7 2,-0.3 -5,-0.2 -1,-0.2 0.493 101.4 66.5-103.0 -5.2 -39.3 -26.8 -9.0 18 19 A I < - 0 0 31 -3,-1.2 136,-2.5 103,-0.1 2,-0.4 -0.805 59.9-141.8-124.7 158.2 -37.0 -25.2 -11.6 19 20 A Y E -D 153 0B 3 101,-2.0 2,-0.5 -2,-0.3 134,-0.2 -0.971 16.8-139.9-113.5 132.1 -37.0 -22.8 -14.6 20 21 A T E -D 152 0B 10 132,-2.5 132,-2.4 -2,-0.4 2,-0.4 -0.803 25.2-162.4 -85.3 127.5 -35.0 -23.4 -17.8 21 22 A Q E +D 151 0B 0 -2,-0.5 2,-0.3 130,-0.2 130,-0.2 -0.892 15.0 174.7-113.9 144.7 -33.5 -20.1 -19.0 22 23 A I E -D 150 0B 0 128,-1.7 128,-2.7 -2,-0.4 2,-0.4 -0.989 13.3-153.9-144.5 141.4 -32.0 -19.1 -22.3 23 24 A S E -DE 149 399B 0 376,-2.3 376,-2.3 -2,-0.3 2,-0.5 -0.942 2.4-162.3-119.1 140.3 -30.8 -15.7 -23.6 24 25 A L E -DE 148 398B 0 124,-2.8 124,-2.8 -2,-0.4 2,-0.5 -0.983 11.2-152.8-118.7 124.9 -30.6 -14.4 -27.2 25 26 A L E +DE 147 397B 0 372,-2.5 371,-3.5 -2,-0.5 372,-1.0 -0.853 15.1 177.3-100.9 131.6 -28.4 -11.4 -27.9 26 27 A Y E -D 146 0B 0 120,-2.5 120,-2.6 -2,-0.5 2,-0.2 -0.989 28.9-120.8-127.1 143.1 -29.1 -9.0 -30.8 27 28 A P E -D 145 0B 41 0, 0.0 2,-0.5 0, 0.0 118,-0.3 -0.520 21.8-157.0 -74.7 146.8 -27.2 -5.8 -31.8 28 29 A V - 0 0 7 116,-2.2 3,-0.1 -2,-0.2 364,-0.1 -0.978 4.5-162.5-129.6 116.1 -29.3 -2.7 -31.8 29 30 A S S S+ 0 0 118 -2,-0.5 2,-0.4 1,-0.2 -1,-0.1 0.800 73.7 17.2 -69.0 -33.9 -28.0 0.0 -34.0 30 31 A D > - 0 0 91 1,-0.1 3,-2.2 114,-0.0 -1,-0.2 -0.996 64.5-132.6-147.3 133.9 -29.9 3.0 -32.5 31 32 A S G > S+ 0 0 59 -2,-0.4 3,-1.3 1,-0.3 -1,-0.1 0.668 101.2 78.8 -60.8 -15.9 -31.8 3.5 -29.3 32 33 A S G 3 S+ 0 0 86 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.719 85.0 64.7 -62.5 -17.6 -34.7 4.9 -31.4 33 34 A Q G <> S+ 0 0 57 -3,-2.2 4,-2.0 1,-0.2 3,-0.4 0.675 77.5 84.9 -80.0 -16.9 -35.5 1.3 -32.2 34 35 A Y H <> S+ 0 0 9 -3,-1.3 4,-2.3 1,-0.2 5,-0.2 0.862 82.7 54.4 -63.5 -42.2 -36.5 0.2 -28.6 35 36 A P H > S+ 0 0 91 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.895 112.1 45.7 -58.8 -39.1 -40.2 1.3 -28.5 36 37 A T H > S+ 0 0 89 -3,-0.4 4,-2.8 -4,-0.4 5,-0.3 0.866 108.7 56.3 -69.1 -37.4 -41.0 -0.7 -31.7 37 38 A I H X S+ 0 0 3 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.949 111.7 44.1 -54.8 -49.9 -39.0 -3.7 -30.4 38 39 A V H X S+ 0 0 23 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.926 114.4 46.8 -63.1 -47.9 -41.3 -3.7 -27.3 39 40 A S H X S+ 0 0 62 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.896 111.5 52.1 -65.8 -37.4 -44.6 -3.2 -29.1 40 41 A T H X S+ 0 0 30 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.933 112.6 45.9 -60.4 -45.8 -43.7 -5.9 -31.7 41 42 A F H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.3 -2,-0.2 0.926 112.6 49.2 -64.7 -43.5 -43.0 -8.3 -28.9 42 43 A E H X S+ 0 0 105 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.916 112.1 48.2 -65.6 -40.0 -46.1 -7.4 -26.9 43 44 A Q H X S+ 0 0 84 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.888 111.1 51.3 -65.8 -39.0 -48.3 -7.8 -30.0 44 45 A G H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.912 109.7 49.7 -62.5 -43.6 -46.7 -11.2 -30.7 45 46 A L H X S+ 0 0 4 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.857 112.0 48.7 -62.7 -36.8 -47.4 -12.3 -27.2 46 47 A K H X S+ 0 0 57 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.934 112.6 46.5 -68.0 -49.4 -51.0 -11.3 -27.5 47 48 A R H X S+ 0 0 72 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.883 113.1 50.1 -58.4 -43.1 -51.5 -13.0 -30.8 48 49 A F H X S+ 0 0 4 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.945 110.5 48.9 -60.6 -50.3 -49.8 -16.2 -29.5 49 50 A S H < S+ 0 0 9 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.843 109.0 54.0 -60.5 -37.3 -52.0 -16.2 -26.4 50 51 A E H < S+ 0 0 138 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.916 114.7 40.0 -60.9 -43.2 -55.2 -15.7 -28.6 51 52 A A H < S+ 0 0 44 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.874 134.6 19.5 -71.0 -40.6 -54.3 -18.8 -30.7 52 53 A V S >< S- 0 0 1 -4,-2.8 3,-1.7 -5,-0.2 4,-0.3 -0.765 70.3-175.0-135.8 80.9 -53.0 -21.0 -27.8 53 54 A P G > S+ 0 0 69 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.766 74.5 69.6 -53.6 -31.9 -54.4 -19.6 -24.5 54 55 A W G > S+ 0 0 9 1,-0.3 3,-2.2 2,-0.2 80,-0.2 0.717 80.2 75.5 -64.4 -19.6 -52.5 -22.1 -22.2 55 56 A V G < S+ 0 0 1 -3,-1.7 80,-0.4 1,-0.3 -1,-0.3 0.767 96.7 51.0 -63.1 -21.4 -49.1 -20.4 -23.0 56 57 A A G < S+ 0 0 4 -3,-1.8 22,-1.7 -4,-0.3 -1,-0.3 0.356 97.7 98.5 -92.5 5.2 -50.3 -17.6 -20.6 57 58 A G < - 0 0 1 -3,-2.2 77,-2.5 20,-0.2 78,-0.4 0.048 66.1-123.5 -82.4-168.4 -51.2 -20.1 -17.9 58 59 A Q E -BC 75 133A 31 17,-2.6 17,-2.4 75,-0.3 2,-0.6 -0.930 20.0-112.9-134.3 157.1 -49.5 -21.3 -14.7 59 60 A V E +B 74 0A 5 73,-3.2 73,-0.5 -2,-0.3 2,-0.4 -0.850 41.1 179.3 -92.4 122.5 -48.4 -24.7 -13.3 60 61 A K E -B 73 0A 69 13,-2.7 13,-2.2 -2,-0.6 2,-0.2 -0.989 17.3-144.1-132.5 129.4 -50.5 -25.4 -10.2 61 62 A A E -B 72 0A 46 -2,-0.4 2,-0.3 11,-0.3 11,-0.3 -0.605 18.4-179.8 -88.6 150.0 -50.4 -28.5 -8.0 62 63 A E E +B 71 0A 91 9,-1.9 9,-2.4 -2,-0.2 -2,-0.0 -0.954 56.0 38.0-140.5 160.9 -53.4 -30.1 -6.3 63 64 A G + 0 0 54 -2,-0.3 7,-0.5 1,-0.2 2,-0.3 0.694 69.7 160.7 75.3 20.6 -54.0 -33.1 -4.0 64 65 A I + 0 0 114 5,-0.2 2,-0.3 7,-0.1 -1,-0.2 -0.592 9.7 133.4 -74.8 130.3 -50.8 -32.7 -2.0 65 66 A S B > -H 68 0C 66 3,-2.5 3,-2.2 -2,-0.3 2,-0.2 -0.905 64.0 -42.9-155.4-172.7 -50.8 -34.4 1.4 66 67 A E T 3 S+ 0 0 182 1,-0.3 3,-0.1 -2,-0.3 291,-0.0 -0.411 131.3 1.5 -60.1 125.5 -48.5 -36.6 3.5 67 68 A G T 3 S+ 0 0 52 -2,-0.2 2,-0.3 1,-0.1 -1,-0.3 0.744 116.8 93.4 64.3 23.3 -47.1 -39.3 1.2 68 69 A N B < -H 65 0C 56 -3,-2.2 -3,-2.5 289,-0.1 289,-0.3 -0.845 52.4-170.4-146.0 107.1 -48.8 -37.8 -1.8 69 70 A T - 0 0 47 287,-2.4 -5,-0.2 -2,-0.3 288,-0.1 0.431 40.4-138.2 -83.8 3.2 -46.9 -35.2 -3.9 70 71 A G - 0 0 3 -7,-0.5 2,-0.4 286,-0.4 -7,-0.2 -0.106 15.3 -80.2 79.0-170.1 -50.0 -34.4 -5.8 71 72 A T E - B 0 62A 45 -9,-2.4 -9,-1.9 -3,-0.1 2,-0.3 -1.000 35.4-143.4-138.9 131.4 -50.6 -33.7 -9.5 72 73 A S E - B 0 61A 3 -2,-0.4 -66,-2.3 -11,-0.3 2,-0.3 -0.755 16.4-174.8-101.9 151.0 -49.9 -30.5 -11.4 73 74 A F E -AB 5 60A 24 -13,-2.2 -13,-2.7 -2,-0.3 2,-0.6 -0.952 31.6-114.9-137.1 150.3 -51.9 -28.9 -14.2 74 75 A I E +AB 4 59A 0 -70,-3.3 -70,-2.5 -2,-0.3 -15,-0.2 -0.833 49.7 165.7 -84.9 122.6 -51.6 -25.9 -16.5 75 76 A V E - B 0 58A 25 -17,-2.4 -17,-2.6 -2,-0.6 -72,-0.2 -0.852 42.0 -66.6-135.3 164.5 -54.5 -23.6 -15.6 76 77 A P + 0 0 66 0, 0.0 -19,-0.1 0, 0.0 -1,-0.1 -0.166 53.7 152.0 -59.6 151.4 -55.3 -20.0 -16.3 77 78 A F - 0 0 52 1,-0.5 2,-0.2 -21,-0.2 -20,-0.2 0.384 60.0 -10.0-138.7 -78.9 -53.2 -17.2 -14.9 78 79 A E - 0 0 81 -22,-1.7 -1,-0.5 2,-0.1 -22,-0.1 -0.784 67.2-102.6-129.1 172.6 -53.0 -14.0 -16.8 79 80 A D S S+ 0 0 155 -2,-0.2 -23,-0.1 -3,-0.1 -22,-0.1 0.861 103.9 9.0 -65.0 -37.9 -54.2 -12.8 -20.3 80 81 A V S S- 0 0 57 -24,-0.1 -34,-0.1 -25,-0.1 2,-0.1 -0.897 95.2 -84.0-134.6 160.6 -50.7 -13.0 -21.8 81 82 A P - 0 0 6 0, 0.0 2,-0.4 0, 0.0 55,-0.1 -0.436 57.3-101.9 -62.0 147.1 -47.3 -14.4 -20.7 82 83 A R E -f 136 0B 112 53,-0.6 55,-2.8 -2,-0.1 2,-0.4 -0.595 37.4-172.0 -75.0 128.3 -45.5 -11.8 -18.5 83 84 A V E -f 137 0B 28 -2,-0.4 2,-0.5 53,-0.2 55,-0.2 -0.973 9.2-154.4-114.4 132.9 -42.6 -9.8 -20.2 84 85 A V E -f 138 0B 66 53,-2.1 55,-2.6 -2,-0.4 2,-0.5 -0.913 7.1-151.6-101.7 132.7 -40.4 -7.6 -18.0 85 86 A V E -f 139 0B 65 -2,-0.5 2,-0.4 53,-0.2 55,-0.2 -0.941 16.9-176.6-106.7 126.5 -38.8 -4.7 -19.8 86 87 A K E -f 140 0B 65 53,-2.9 55,-2.9 -2,-0.5 2,-0.9 -0.975 18.9-151.0-130.6 121.1 -35.5 -3.6 -18.3 87 88 A D E +f 141 0B 80 -2,-0.4 3,-0.2 53,-0.2 55,-0.1 -0.786 27.1 159.5 -93.9 104.4 -33.3 -0.6 -19.4 88 89 A L > + 0 0 5 53,-2.4 3,-1.5 -2,-0.9 55,-0.3 0.259 39.8 108.7-103.4 9.8 -29.7 -1.4 -18.6 89 90 A R T 3 S+ 0 0 85 1,-0.3 -1,-0.2 53,-0.2 54,-0.1 0.811 91.4 31.7 -61.0 -32.3 -28.1 1.1 -21.0 90 91 A D T 3 S+ 0 0 150 -3,-0.2 -1,-0.3 52,-0.0 -2,-0.1 0.202 91.9 110.4-110.0 14.2 -26.9 3.3 -18.2 91 92 A D X - 0 0 64 -3,-1.5 3,-1.9 1,-0.1 -3,-0.0 -0.809 55.2-156.8 -91.5 111.3 -26.4 0.6 -15.5 92 93 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.651 92.2 55.7 -70.1 -8.8 -22.6 0.3 -14.9 93 94 A S T 3 S+ 0 0 79 2,-0.1 21,-0.1 21,-0.0 -5,-0.0 0.482 93.2 90.8 -92.6 -6.0 -23.1 -3.3 -13.5 94 95 A A S < S- 0 0 14 -3,-1.9 15,-0.0 -6,-0.2 49,-0.0 -0.559 82.8-106.9 -86.7 154.2 -24.8 -4.4 -16.8 95 96 A P - 0 0 21 0, 0.0 48,-0.5 0, 0.0 2,-0.3 -0.327 27.2-146.4 -72.5 163.1 -23.0 -5.8 -19.8 96 97 A T B > -i 143 0D 50 46,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.864 25.2-114.0-119.4 161.6 -22.5 -3.9 -23.0 97 98 A I H > S+ 0 0 7 46,-2.7 4,-2.5 -2,-0.3 5,-0.1 0.917 118.7 48.1 -63.1 -38.5 -22.5 -5.3 -26.6 98 99 A E H > S+ 0 0 118 45,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.873 110.4 51.5 -66.9 -37.0 -18.8 -4.4 -27.0 99 100 A G H > S+ 0 0 23 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.920 112.0 47.9 -62.5 -45.0 -17.9 -5.9 -23.6 100 101 A M H X>S+ 0 0 0 -4,-2.3 5,-3.0 2,-0.2 4,-0.8 0.923 112.6 47.8 -56.0 -53.4 -19.7 -9.1 -24.7 101 102 A R H ><5S+ 0 0 95 -4,-2.5 3,-0.6 3,-0.2 -2,-0.2 0.903 112.1 49.1 -59.5 -45.1 -18.0 -9.2 -28.1 102 103 A K H 3<5S+ 0 0 114 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.851 116.4 41.6 -66.7 -36.8 -14.5 -8.6 -26.5 103 104 A A H 3<5S- 0 0 42 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.459 115.0-114.1 -90.2 -2.2 -14.9 -11.3 -23.9 104 105 A G T <<5 - 0 0 26 -4,-0.8 -3,-0.2 -3,-0.6 -4,-0.1 0.829 64.8 -62.8 74.6 34.0 -16.6 -13.7 -26.4 105 106 A Y S - 0 0 8 0, 0.0 3,-1.5 0, 0.0 4,-0.2 -0.316 25.7-122.3 -69.2 150.8 -19.1 -15.3 -21.3 107 108 A M G > S+ 0 0 0 342,-2.8 3,-1.9 1,-0.3 295,-0.8 0.830 111.1 65.6 -56.9 -34.1 -21.7 -16.9 -19.0 108 109 A A G 3 S+ 0 0 62 1,-0.3 -1,-0.3 293,-0.1 3,-0.2 0.736 94.1 59.6 -64.6 -20.5 -20.7 -14.4 -16.3 109 110 A M G < S+ 0 0 59 -3,-1.5 2,-0.3 1,-0.2 -1,-0.3 0.425 96.1 64.2 -86.5 1.6 -22.1 -11.6 -18.5 110 111 A F S < S+ 0 0 0 -3,-1.9 292,-2.2 -4,-0.2 2,-0.5 -0.617 74.1 179.6-118.1 67.4 -25.6 -13.2 -18.5 111 112 A D B >> -j 402 0E 52 -2,-0.3 4,-2.8 -3,-0.2 3,-2.0 -0.610 25.1-146.5 -76.5 117.3 -26.2 -12.9 -14.8 112 113 A E H 3> S+ 0 0 3 290,-1.6 4,-1.5 -2,-0.5 -1,-0.2 0.803 98.5 59.8 -54.9 -30.9 -29.7 -14.4 -14.2 113 114 A N H 34 S+ 0 0 100 289,-0.2 -1,-0.3 1,-0.2 6,-0.1 0.758 117.0 30.5 -68.8 -23.3 -30.3 -11.8 -11.4 114 115 A I H <4 S+ 0 0 31 -3,-2.0 -2,-0.2 -21,-0.1 -1,-0.2 0.776 132.7 26.5-101.5 -40.8 -29.8 -9.0 -13.9 115 116 A I H < S+ 0 0 0 -4,-2.8 -3,-0.2 25,-0.0 -2,-0.2 0.476 105.1 75.9-111.9 -1.1 -31.1 -10.3 -17.2 116 117 A A < - 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