==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-MAY-10 3N58 . COMPND 2 MOLECULE: ADENOSYLHOMOCYSTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BRUCELLA MELITENSIS BIOVAR ABORTUS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 1843 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59302.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1374 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 222 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 2.8 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 . 12 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 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 . 106 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 210 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 647 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 52 2.8 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 8 3 5 4 7 5 8 2 11 10 0 2 4 0 3 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 11 12 9 16 8 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 0 0 0 8 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 0 0 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 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 7 A M 0 0 90 0, 0.0 2,-0.4 0, 0.0 93,-0.2 0.000 360.0 360.0 360.0 141.5 -40.2 -41.3 9.5 2 8 A V E +a 94 0A 54 91,-2.7 93,-2.5 81,-0.0 2,-0.3 -0.924 360.0 145.4-131.5 110.8 -36.9 -42.1 11.2 3 9 A V E -a 95 0A 32 -2,-0.4 3,-0.2 91,-0.2 93,-0.2 -0.922 54.1-111.7-133.1 165.0 -36.3 -40.9 14.8 4 10 A K S S- 0 0 136 91,-0.5 2,-0.2 -2,-0.3 92,-0.1 0.900 97.3 -8.9 -60.5 -46.3 -34.4 -42.3 17.8 5 11 A D > - 0 0 68 75,-0.2 3,-2.0 1,-0.1 -1,-0.2 -0.760 51.5-156.7-165.2 104.4 -37.4 -43.0 20.0 6 12 A I G > S+ 0 0 93 1,-0.3 3,-1.5 -3,-0.2 4,-0.2 0.662 89.1 75.4 -63.8 -15.3 -41.0 -41.9 19.4 7 13 A S G 3 S+ 0 0 85 1,-0.3 3,-0.5 2,-0.1 4,-0.3 0.589 80.6 71.0 -75.1 -7.0 -41.8 -42.2 23.1 8 14 A L G X> S+ 0 0 41 -3,-2.0 4,-2.6 1,-0.2 3,-0.6 0.567 70.7 98.1 -80.0 -7.1 -39.9 -38.9 23.7 9 15 A A H <> S+ 0 0 12 -3,-1.5 4,-2.8 1,-0.3 -1,-0.2 0.836 77.4 52.1 -54.6 -41.9 -42.7 -37.0 22.0 10 16 A D H 3> S+ 0 0 120 -3,-0.5 4,-1.8 2,-0.2 -1,-0.3 0.904 111.0 47.9 -63.8 -39.9 -44.4 -35.9 25.2 11 17 A W H <> S+ 0 0 75 -3,-0.6 4,-1.9 -4,-0.3 3,-0.3 0.951 112.2 49.7 -63.1 -50.4 -41.2 -34.5 26.6 12 18 A G H X S+ 0 0 0 -4,-2.6 4,-1.8 69,-0.2 -2,-0.2 0.902 108.6 53.5 -53.0 -44.6 -40.6 -32.7 23.3 13 19 A R H X S+ 0 0 71 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.851 105.7 52.9 -62.2 -36.3 -44.1 -31.3 23.3 14 20 A K H X S+ 0 0 62 -4,-1.8 4,-1.7 -3,-0.3 -1,-0.2 0.895 110.0 47.9 -67.3 -38.0 -43.7 -29.9 26.9 15 21 A E H X S+ 0 0 16 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.812 108.4 55.0 -75.2 -24.8 -40.5 -28.1 25.8 16 22 A L H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.922 103.1 55.4 -67.7 -42.0 -42.3 -26.8 22.7 17 23 A D H X S+ 0 0 63 -4,-2.1 4,-0.7 1,-0.2 -2,-0.2 0.930 115.2 40.6 -53.6 -43.7 -45.0 -25.3 25.0 18 24 A I H >< S+ 0 0 27 -4,-1.7 3,-1.0 1,-0.2 4,-0.5 0.932 111.4 54.9 -69.2 -45.3 -42.1 -23.5 26.7 19 25 A A H >< S+ 0 0 2 -4,-3.0 3,-2.0 1,-0.3 4,-0.5 0.876 99.3 62.7 -60.4 -39.1 -40.2 -22.6 23.6 20 26 A E H >< S+ 0 0 43 -4,-2.7 3,-1.1 1,-0.3 -1,-0.3 0.849 98.3 54.9 -54.2 -38.3 -43.3 -20.9 22.1 21 27 A T T << S+ 0 0 38 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.598 110.2 48.7 -72.1 -9.7 -43.3 -18.3 24.9 22 28 A E T < S+ 0 0 17 -3,-2.0 -1,-0.2 -4,-0.5 365,-0.2 0.411 104.0 61.0-104.9 -3.4 -39.7 -17.5 24.0 23 29 A M <> + 0 0 0 -3,-1.1 4,-1.8 -4,-0.5 3,-0.4 -0.538 52.0 159.8-130.0 66.1 -40.2 -17.1 20.3 24 30 A P H > S+ 0 0 34 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.723 71.4 64.6 -65.4 -24.4 -42.7 -14.3 19.7 25 31 A G H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.959 106.8 40.0 -61.6 -52.7 -41.5 -13.8 16.1 26 32 A L H > S+ 0 0 0 -3,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.923 116.2 50.3 -64.4 -45.1 -42.7 -17.2 15.0 27 33 A M H X S+ 0 0 57 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.858 109.1 52.9 -63.0 -36.3 -45.9 -17.0 17.0 28 34 A A H X S+ 0 0 29 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.879 106.0 53.5 -61.9 -40.5 -46.6 -13.5 15.5 29 35 A A H X S+ 0 0 7 -4,-1.8 4,-2.3 1,-0.2 5,-0.2 0.810 105.4 54.2 -66.0 -29.8 -46.2 -15.0 12.0 30 36 A R H X S+ 0 0 39 -4,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.894 111.1 46.2 -67.7 -40.0 -48.8 -17.6 12.9 31 37 A E H < S+ 0 0 164 -4,-1.6 4,-0.4 2,-0.2 -2,-0.2 0.936 117.6 41.7 -66.9 -47.7 -51.2 -14.8 13.9 32 38 A E H < S+ 0 0 104 -4,-2.7 4,-0.3 1,-0.2 -2,-0.2 0.909 129.7 21.9 -69.2 -44.7 -50.6 -12.7 10.8 33 39 A F H X S+ 0 0 33 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.409 94.2 96.0-111.4 -1.0 -50.5 -15.4 8.1 34 40 A G T < S+ 0 0 18 -4,-1.3 -1,-0.1 -5,-0.2 -3,-0.1 0.932 94.2 34.5 -56.6 -52.2 -52.4 -18.3 9.6 35 41 A K T 4 S+ 0 0 105 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.869 118.3 53.3 -73.1 -33.1 -55.8 -17.5 8.1 36 42 A S T 4 S- 0 0 80 -4,-0.3 -1,-0.2 1,-0.0 -2,-0.2 0.710 88.5-157.9 -79.3 -22.2 -54.3 -16.2 4.9 37 43 A Q >< + 0 0 73 -4,-1.9 3,-1.8 26,-0.2 -3,-0.1 0.873 16.4 178.7 50.3 56.4 -52.2 -19.4 4.3 38 44 A P T 3 S+ 0 0 22 0, 0.0 27,-0.1 0, 0.0 -1,-0.1 0.686 77.5 49.7 -65.1 -18.4 -49.5 -17.9 2.0 39 45 A L T > S+ 0 0 0 25,-2.3 3,-2.8 22,-0.1 2,-0.3 0.185 72.9 135.7-106.1 13.7 -47.6 -21.2 1.8 40 46 A K T < S+ 0 0 143 -3,-1.8 26,-0.2 24,-0.4 3,-0.1 -0.473 78.2 24.6 -58.8 123.5 -50.6 -23.4 0.9 41 47 A G T 3 S+ 0 0 46 24,-0.8 -1,-0.3 1,-0.4 2,-0.2 0.233 91.8 133.3 100.5 -14.3 -49.3 -25.5 -1.9 42 48 A A < - 0 0 1 -3,-2.8 25,-2.5 23,-0.0 2,-0.5 -0.517 39.6-164.3 -69.9 134.4 -45.7 -25.2 -0.7 43 49 A R E -b 67 0A 41 -2,-0.2 78,-2.5 23,-0.2 79,-2.0 -0.917 18.0-169.0-121.3 98.6 -43.8 -28.5 -0.6 44 50 A I E -bc 68 122A 0 23,-2.7 25,-1.9 -2,-0.5 2,-0.7 -0.795 19.6-159.1-105.4 129.6 -40.7 -27.7 1.5 45 51 A S E -bc 69 123A 0 77,-2.1 79,-2.4 -2,-0.4 2,-0.5 -0.934 20.8-162.4-103.9 112.7 -37.6 -29.9 2.0 46 52 A G E +bc 70 124A 0 23,-2.5 25,-2.3 -2,-0.7 2,-0.4 -0.856 20.4 177.6-108.0 129.3 -35.9 -28.8 5.1 47 53 A S E +bc 71 125A 0 77,-2.5 79,-1.2 -2,-0.5 2,-0.3 -0.853 38.5 119.8-129.1 90.8 -32.3 -29.6 6.0 48 54 A L S S- 0 0 3 23,-2.0 23,-0.1 -2,-0.4 3,-0.1 -0.952 75.6 -68.4-161.0 132.6 -31.6 -27.8 9.3 49 55 A H - 0 0 15 -2,-0.3 2,-2.8 23,-0.2 5,-0.3 0.145 48.3-130.6 -26.6 109.1 -30.6 -29.0 12.9 50 56 A M + 0 0 0 24,-0.2 29,-2.5 4,-0.1 33,-0.4 -0.352 56.4 142.6 -76.3 67.3 -33.6 -30.9 14.2 51 57 A T S > S- 0 0 7 -2,-2.8 4,-1.8 27,-0.2 5,-0.1 -0.439 70.8 -95.8 -95.5 171.5 -33.8 -29.0 17.6 52 58 A I H > S+ 0 0 4 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.876 126.7 54.2 -52.5 -38.4 -36.7 -27.8 19.7 53 59 A Q H >> S+ 0 0 8 1,-0.2 4,-1.7 2,-0.2 3,-0.5 0.937 106.4 48.9 -66.6 -45.3 -36.3 -24.4 17.9 54 60 A T H 3> S+ 0 0 2 -5,-0.3 4,-3.0 1,-0.2 -1,-0.2 0.815 106.0 60.4 -62.2 -30.4 -36.5 -25.9 14.5 55 61 A A H 3X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.837 102.9 49.4 -66.1 -35.4 -39.6 -27.7 15.7 56 62 A V H S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 -2,-0.2 0.844 111.8 48.1 -63.3 -34.0 -44.6 -23.3 8.3 62 68 A K H ><5S+ 0 0 65 -4,-1.7 3,-1.6 -5,-0.2 -2,-0.2 0.854 105.2 56.2 -76.4 -36.7 -47.5 -25.8 8.7 63 69 A V H 3<5S+ 0 0 56 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.884 105.6 55.4 -59.7 -33.3 -49.7 -23.2 10.3 64 70 A L T 3<5S- 0 0 0 -4,-1.6 -25,-2.3 -5,-0.1 -24,-0.4 0.383 129.8 -94.7 -82.8 4.0 -49.0 -21.2 7.1 65 71 A G T < 5S+ 0 0 12 -3,-1.6 -24,-0.8 1,-0.3 -3,-0.2 0.263 77.7 137.1 109.3 -11.0 -50.2 -23.9 4.8 66 72 A A < - 0 0 7 -5,-2.2 2,-0.4 -26,-0.2 -1,-0.3 -0.303 44.4-146.0 -72.9 149.9 -47.0 -25.7 3.9 67 73 A E E -b 43 0A 114 -25,-2.5 -23,-2.7 -28,-0.2 2,-0.3 -0.927 30.1-174.2 -99.4 139.8 -46.3 -29.4 3.7 68 74 A V E -b 44 0A 5 -2,-0.4 2,-0.3 -25,-0.2 -23,-0.2 -0.922 27.2-161.7-134.0 158.5 -42.8 -30.3 4.8 69 75 A R E -b 45 0A 19 -25,-1.9 -23,-2.5 -2,-0.3 2,-0.3 -0.978 28.8-158.3-134.2 134.2 -40.3 -33.2 5.0 70 76 A W E +bd 46 93A 0 22,-2.5 24,-2.3 -2,-0.3 2,-0.3 -0.868 23.5 167.1-129.0 147.0 -37.4 -32.6 7.3 71 77 A A E -bd 47 94A 1 -25,-2.3 -23,-2.0 -2,-0.3 24,-0.2 -0.952 37.5-108.0-143.8 157.3 -33.8 -33.8 8.1 72 78 A S - 0 0 0 22,-0.8 -23,-0.2 -2,-0.3 3,-0.1 -0.469 16.8-137.8 -82.1 162.6 -31.1 -32.4 10.3 73 79 A C S S+ 0 0 4 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.123 86.8 44.5-108.0 18.0 -28.0 -30.8 8.7 74 80 A N S > S- 0 0 13 -26,-0.1 3,-0.7 297,-0.0 4,-0.4 -0.953 76.8-130.5-157.7 141.0 -25.5 -32.4 11.1 75 81 A I T 3 S+ 0 0 11 -2,-0.3 23,-2.3 1,-0.2 24,-1.4 0.697 107.9 35.1 -67.9 -18.7 -25.2 -35.9 12.4 76 82 A F T 3 S+ 0 0 11 21,-0.2 -1,-0.2 22,-0.2 21,-0.1 0.426 98.2 79.6-112.6 -1.0 -24.9 -34.8 16.1 77 83 A S < + 0 0 2 -3,-0.7 -2,-0.1 19,-0.1 20,-0.1 0.593 62.9 107.0 -95.2 -11.8 -27.2 -31.8 16.2 78 84 A T - 0 0 1 -4,-0.4 2,-0.7 18,-0.2 -27,-0.2 -0.398 59.6-144.8 -62.6 139.9 -30.7 -33.4 16.5 79 85 A Q >> - 0 0 18 -29,-2.5 4,-2.3 1,-0.1 3,-1.3 -0.945 13.2-149.7-101.0 109.3 -32.6 -33.3 19.8 80 86 A D H 3> S+ 0 0 32 -2,-0.7 4,-2.7 1,-0.3 -75,-0.2 0.828 93.7 54.7 -55.1 -36.3 -34.3 -36.7 19.8 81 87 A H H 3> S+ 0 0 14 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.830 109.8 47.8 -67.7 -30.0 -37.3 -35.4 21.8 82 88 A A H <> S+ 0 0 0 -3,-1.3 4,-2.1 -32,-0.2 5,-0.2 0.938 111.3 49.8 -69.9 -49.2 -37.9 -32.6 19.3 83 89 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 -33,-0.4 -2,-0.2 0.928 112.0 50.2 -50.8 -47.0 -37.6 -35.0 16.4 84 90 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.925 107.5 51.1 -60.3 -48.5 -40.1 -37.2 18.1 85 91 A A H X S+ 0 0 2 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.887 113.0 46.7 -58.4 -40.4 -42.7 -34.5 18.8 86 92 A I H ><>S+ 0 0 0 -4,-2.1 5,-1.1 1,-0.2 3,-1.0 0.919 111.0 50.9 -68.4 -44.7 -42.6 -33.5 15.2 87 93 A A H ><5S+ 0 0 17 -4,-2.6 3,-1.7 1,-0.3 -2,-0.2 0.866 103.1 61.4 -58.6 -38.0 -42.9 -37.0 13.9 88 94 A A H 3<5S+ 0 0 65 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.753 95.9 60.1 -65.1 -22.5 -45.9 -37.5 16.2 89 95 A T T <<5S- 0 0 54 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.667 121.6-106.5 -76.9 -14.0 -47.7 -34.8 14.3 90 96 A G T < 5S+ 0 0 63 -3,-1.7 -3,-0.2 -4,-0.4 -2,-0.1 0.299 76.9 136.8 100.7 -7.7 -47.5 -36.8 11.1 91 97 A T < - 0 0 9 -5,-1.1 -1,-0.4 1,-0.1 2,-0.4 -0.622 62.0-115.4 -70.0 124.3 -44.8 -34.6 9.6 92 98 A P + 0 0 36 0, 0.0 -22,-2.5 0, 0.0 2,-0.4 -0.510 44.3 171.8 -65.9 119.2 -42.1 -36.8 8.0 93 99 A V E - d 0 70A 0 -2,-0.4 -91,-2.7 -24,-0.2 2,-0.4 -0.980 22.1-169.5-132.1 143.4 -38.8 -36.3 9.8 94 100 A F E +ad 2 71A 10 -24,-2.3 -22,-0.8 -2,-0.4 2,-0.3 -0.830 39.5 121.7-133.6 93.1 -35.5 -38.2 9.5 95 101 A A E +a 3 0A 0 -93,-2.5 -91,-0.5 -2,-0.4 2,-0.4 -0.889 25.2 171.4-164.8 121.7 -33.1 -37.2 12.2 96 102 A V > - 0 0 19 -2,-0.3 3,-1.3 -93,-0.2 2,-0.4 -0.997 37.9-116.6-135.4 133.3 -31.3 -39.0 15.0 97 103 A K T 3 S+ 0 0 55 -2,-0.4 -21,-0.2 1,-0.3 -22,-0.1 -0.626 106.2 22.4 -68.1 123.9 -28.6 -37.7 17.3 98 104 A G T 3 S+ 0 0 40 -23,-2.3 -1,-0.3 -2,-0.4 -22,-0.2 0.721 85.5 165.5 87.4 25.8 -25.5 -39.7 16.4 99 105 A E < - 0 0 4 -24,-1.4 -1,-0.2 -3,-1.3 2,-0.1 -0.274 36.5-113.0 -64.9 155.3 -26.5 -40.8 12.9 100 106 A T > - 0 0 71 1,-0.1 4,-3.1 4,-0.0 5,-0.2 -0.482 26.8-108.2 -81.9 165.9 -23.8 -42.2 10.6 101 107 A L H > S+ 0 0 21 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.928 122.9 51.3 -59.5 -45.2 -22.6 -40.5 7.4 102 108 A E H > S+ 0 0 118 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.922 111.3 47.8 -56.2 -46.3 -24.5 -43.0 5.3 103 109 A E H > S+ 0 0 75 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.930 107.3 56.9 -61.6 -46.1 -27.6 -42.4 7.4 104 110 A Y H X S+ 0 0 4 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.926 110.5 42.9 -48.2 -50.8 -27.3 -38.7 7.0 105 111 A W H X S+ 0 0 4 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.781 109.8 56.2 -76.8 -24.1 -27.3 -38.8 3.3 106 112 A T H X S+ 0 0 41 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.902 110.9 46.3 -64.8 -42.3 -30.1 -41.3 3.2 107 113 A Y H X S+ 0 0 23 -4,-2.6 4,-1.2 2,-0.2 -2,-0.2 0.891 107.1 55.4 -70.0 -39.8 -32.1 -38.9 5.2 108 114 A T H < S+ 0 0 0 -4,-2.4 3,-0.4 -5,-0.2 4,-0.3 0.917 111.0 46.5 -57.5 -41.8 -31.2 -35.9 3.0 109 115 A D H >< S+ 0 0 4 -4,-1.6 3,-1.6 1,-0.2 4,-0.3 0.885 105.0 62.5 -64.9 -40.3 -32.5 -37.8 -0.0 110 116 A Q H >< S+ 0 0 60 -4,-1.9 3,-1.4 1,-0.3 -1,-0.2 0.783 89.3 67.0 -57.2 -30.0 -35.6 -38.8 1.9 111 117 A I T 3< S+ 0 0 0 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.681 103.2 47.7 -70.4 -12.7 -36.8 -35.1 2.3 112 118 A F T < S+ 0 0 3 -3,-1.6 2,-1.1 -4,-0.3 -1,-0.3 0.429 88.5 92.9-102.4 -3.2 -37.3 -35.0 -1.5 113 119 A Q < - 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