==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-FEB-02 1KY4 . COMPND 2 MOLECULE: S-ADENOSYLHOMOCYSTEINE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR Y.TAKATA,F.TAKUSAGAWA . 1712 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57617.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1275 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 220 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 3.7 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 . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.5 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 . 2 0.1 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 . 85 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 194 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 583 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 44 2.6 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 16 0 0 12 4 9 8 8 11 0 0 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 20 8 12 12 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 4 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 . 4 0 0 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 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 4 A L 0 0 136 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 121.0 35.0 -41.7 34.9 2 5 A P - 0 0 81 0, 0.0 2,-0.3 0, 0.0 93,-0.0 0.794 360.0 -33.5 -79.5 -30.8 37.4 -39.4 33.1 3 6 A Y - 0 0 73 91,-0.2 2,-0.4 2,-0.1 93,-0.2 -0.956 52.5-124.8-175.4 172.2 34.8 -38.1 30.6 4 7 A K B +a 96 0A 89 91,-2.6 93,-1.5 -2,-0.3 2,-0.3 -0.845 36.5 160.3-141.3 101.5 31.8 -39.3 28.7 5 8 A V - 0 0 18 -2,-0.4 3,-0.3 91,-0.2 93,-0.2 -0.854 44.7-125.2-119.7 154.7 31.8 -38.9 24.9 6 9 A A S S- 0 0 61 91,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.968 97.1 -5.1 -62.0 -53.9 29.8 -40.6 22.2 7 10 A D > - 0 0 75 75,-0.1 3,-1.5 1,-0.1 -1,-0.3 -0.856 52.6-170.0-149.0 109.2 32.8 -41.8 20.2 8 11 A I G > S+ 0 0 64 -2,-0.3 3,-0.9 -3,-0.3 4,-0.2 0.508 84.5 78.7 -75.4 -3.5 36.4 -40.9 21.1 9 12 A G G 3 S+ 0 0 59 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.620 84.5 66.3 -76.8 -10.2 37.5 -42.5 17.8 10 13 A L G X> S+ 0 0 40 -3,-1.5 3,-1.5 1,-0.2 4,-1.4 0.615 72.2 95.7 -82.7 -17.0 36.2 -39.2 16.4 11 14 A A H X> S+ 0 0 7 -3,-0.9 4,-2.6 1,-0.3 3,-0.6 0.843 78.8 54.3 -42.1 -52.4 39.0 -37.1 18.1 12 15 A A H 3> S+ 0 0 67 -3,-0.3 4,-0.9 1,-0.3 -1,-0.3 0.792 110.5 47.1 -57.4 -31.2 41.3 -37.1 15.1 13 16 A W H <> S+ 0 0 151 -3,-1.5 4,-1.2 -4,-0.2 -1,-0.3 0.728 110.0 54.1 -83.0 -23.9 38.6 -35.6 12.9 14 17 A G H X S+ 0 0 22 -4,-1.2 4,-2.7 -3,-0.3 3,-2.0 0.962 110.3 54.2 -58.1 -54.1 38.0 -28.8 12.7 18 21 A L H 3X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.3 -1,-0.2 0.878 106.6 50.8 -47.8 -47.5 39.6 -27.1 15.7 19 22 A D H 3< S+ 0 0 61 -4,-2.5 4,-0.4 1,-0.2 -1,-0.3 0.602 113.1 46.3 -71.5 -10.4 42.7 -26.1 13.8 20 23 A I H << S+ 0 0 54 -3,-2.0 3,-0.5 -4,-0.6 4,-0.4 0.833 112.4 48.2 -94.3 -44.2 40.6 -24.6 11.0 21 24 A A H >< S+ 0 0 8 -4,-2.7 3,-2.0 1,-0.2 4,-0.4 0.858 100.1 68.6 -62.6 -37.6 38.2 -22.7 13.3 22 25 A E G >< S+ 0 0 31 -4,-2.3 3,-1.9 -5,-0.3 7,-0.2 0.886 93.0 57.3 -51.0 -43.0 41.2 -21.3 15.3 23 26 A N G 3 S+ 0 0 46 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 0.722 109.8 46.0 -62.4 -21.6 42.2 -19.2 12.3 24 27 A E G < S+ 0 0 33 -3,-2.0 331,-0.3 -4,-0.4 -1,-0.3 0.322 104.4 65.4-103.1 5.3 38.7 -17.6 12.4 25 28 A M <> + 0 0 0 -3,-1.9 4,-1.5 -4,-0.4 3,-0.2 -0.576 54.4 159.5-126.6 72.2 38.7 -17.1 16.1 26 29 A P H > + 0 0 20 0, 0.0 4,-3.7 0, 0.0 5,-0.4 0.836 68.1 65.5 -61.3 -37.8 41.5 -14.5 16.8 27 30 A G H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.960 107.0 40.7 -50.7 -56.1 40.1 -13.4 20.2 28 31 A L H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.877 117.0 50.4 -61.1 -38.6 40.8 -16.8 21.7 29 32 A M H X S+ 0 0 53 -4,-1.5 4,-1.9 -7,-0.2 -1,-0.2 0.886 110.1 47.7 -69.4 -39.5 44.1 -17.1 19.9 30 33 A R H X S+ 0 0 82 -4,-3.7 4,-2.1 2,-0.2 5,-0.3 0.828 105.7 61.5 -70.5 -28.1 45.3 -13.7 21.0 31 34 A M H X S+ 0 0 2 -4,-1.9 4,-2.0 -5,-0.4 5,-0.4 0.933 109.1 40.8 -60.0 -45.6 44.2 -14.6 24.5 32 35 A R H X S+ 0 0 39 -4,-1.5 4,-1.4 3,-0.2 -1,-0.2 0.832 109.1 63.6 -69.9 -34.4 46.7 -17.5 24.4 33 36 A E H < S+ 0 0 149 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.889 118.1 22.4 -58.0 -42.8 49.2 -15.2 22.7 34 37 A M H < S+ 0 0 96 -4,-2.1 4,-0.3 -3,-0.1 -1,-0.2 0.645 134.0 32.1-103.4 -16.0 49.5 -12.9 25.7 35 38 A Y H X S+ 0 0 64 -4,-2.0 4,-3.2 -5,-0.3 -3,-0.2 0.642 88.1 88.0-116.0 -17.9 48.4 -15.0 28.6 36 39 A S T < S+ 0 0 47 -4,-1.4 -3,-0.1 -5,-0.4 -4,-0.1 0.737 100.2 42.7 -55.0 -20.9 49.4 -18.5 27.9 37 40 A A T 4 S+ 0 0 85 -5,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.877 116.7 43.4 -91.1 -44.8 52.7 -17.6 29.5 38 41 A S T 4 S- 0 0 82 -4,-0.3 -2,-0.2 1,-0.0 4,-0.2 0.693 91.6-150.9 -73.0 -20.6 51.4 -15.6 32.5 39 42 A K >< - 0 0 89 -4,-3.2 3,-2.3 26,-0.2 -3,-0.1 0.939 17.4-175.8 47.8 56.7 48.7 -18.3 33.1 40 43 A P T 3 S+ 0 0 26 0, 0.0 27,-0.1 0, 0.0 -1,-0.1 0.785 81.1 49.7 -53.5 -31.5 46.3 -15.7 34.6 41 44 A L T > S+ 0 0 0 25,-1.7 3,-2.5 22,-0.1 28,-0.3 0.253 79.0 142.3 -93.3 12.3 43.7 -18.4 35.4 42 45 A K T < S+ 0 0 140 -3,-2.3 26,-0.2 24,-0.4 3,-0.1 -0.368 71.3 21.3 -55.6 119.7 46.4 -20.5 37.0 43 46 A G T 3 S+ 0 0 22 24,-1.1 -1,-0.3 1,-0.4 25,-0.1 0.049 95.2 117.5 108.9 -26.0 44.7 -22.1 40.0 44 47 A A < - 0 0 0 -3,-2.5 25,-3.2 23,-0.2 2,-0.5 -0.433 50.8-154.2 -76.0 152.0 41.2 -21.8 38.8 45 48 A R E -b 69 0A 44 23,-0.2 77,-1.1 -2,-0.1 78,-1.1 -0.862 18.3-157.7-126.9 90.9 39.1 -24.9 38.3 46 49 A I E -bc 70 123A 0 23,-3.0 25,-2.8 -2,-0.5 2,-0.8 -0.616 10.4-162.2 -82.3 122.0 36.5 -23.9 35.7 47 50 A A E -bc 71 124A 0 76,-2.0 78,-1.9 -2,-0.5 2,-0.4 -0.896 21.8-164.8 -98.0 111.6 33.3 -25.9 35.5 48 51 A G E -bc 72 125A 0 23,-3.2 25,-1.6 -2,-0.8 2,-0.5 -0.853 22.5-172.9-109.5 140.9 31.8 -25.0 32.1 49 52 A C E +bc 73 126A 0 76,-2.2 78,-1.2 -2,-0.4 2,-0.3 -0.878 37.9 126.9-127.6 94.5 28.3 -25.5 30.7 50 53 A L S S- 0 0 1 23,-2.0 23,-0.1 -2,-0.5 26,-0.1 -0.970 71.4 -83.5-152.5 135.3 28.3 -24.5 27.1 51 54 A H - 0 0 58 -2,-0.3 2,-1.2 23,-0.2 5,-0.2 -0.058 50.5-123.2 -38.1 129.2 27.2 -26.4 23.9 52 55 A M + 0 0 0 24,-0.3 29,-4.0 4,-0.1 33,-0.3 -0.686 56.4 138.6 -88.4 95.4 30.2 -28.5 23.1 53 56 A T S > S- 0 0 19 -2,-1.2 4,-2.7 27,-0.3 5,-0.2 -0.719 70.2 -89.2-126.4 175.6 31.1 -27.5 19.5 54 57 A V H > S+ 0 0 13 -2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.905 128.4 47.7 -53.8 -44.9 34.3 -26.8 17.6 55 58 A E H > S+ 0 0 34 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.940 113.1 46.1 -62.2 -49.7 34.1 -23.2 18.6 56 59 A T H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.838 109.7 57.8 -62.2 -31.8 33.5 -24.0 22.3 57 60 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.935 103.4 50.5 -63.1 -48.0 36.3 -26.5 22.0 58 61 A V H X S+ 0 0 0 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.881 110.4 52.1 -57.9 -37.9 38.7 -23.8 20.9 59 62 A L H >X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 3,-1.4 0.963 106.8 50.7 -64.0 -53.3 37.6 -21.7 23.9 60 63 A I H 3X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.3 5,-0.2 0.926 108.2 51.8 -50.5 -52.5 38.2 -24.5 26.4 61 64 A E H 3X S+ 0 0 29 -4,-2.2 4,-1.7 1,-0.2 -1,-0.3 0.698 109.3 52.6 -60.3 -17.9 41.7 -25.1 25.2 62 65 A T H S+ 0 0 0 -4,-2.1 5,-1.4 -3,-0.2 3,-0.3 0.884 115.6 45.4 -63.8 -38.0 41.1 -21.4 29.2 64 67 A V H ><5S+ 0 0 53 -4,-2.6 3,-2.1 1,-0.2 -2,-0.2 0.899 107.1 57.0 -70.6 -43.4 43.4 -24.4 29.7 65 68 A A H 3<5S+ 0 0 25 -4,-1.7 -26,-0.2 1,-0.3 -1,-0.2 0.654 100.4 60.9 -63.5 -15.2 46.3 -22.6 27.9 66 69 A L T 3<5S- 0 0 0 -4,-0.8 -25,-1.7 -3,-0.3 -24,-0.4 0.220 128.6 -95.4 -96.4 13.7 45.9 -19.8 30.4 67 70 A G T < 5S+ 0 0 18 -3,-2.1 -24,-1.1 1,-0.2 2,-0.2 0.691 78.6 138.1 83.9 22.2 46.7 -22.2 33.3 68 71 A A < - 0 0 11 -5,-1.4 2,-0.5 -26,-0.2 -1,-0.2 -0.619 53.3-127.2-100.5 158.6 43.2 -23.2 34.4 69 72 A E E -b 45 0A 44 -25,-3.2 -23,-3.0 -28,-0.3 2,-0.4 -0.899 36.9-166.1 -99.2 130.5 41.8 -26.5 35.4 70 73 A V E +b 46 0A 10 -2,-0.5 2,-0.4 -25,-0.2 -23,-0.2 -0.972 24.1 179.8-131.0 138.6 38.6 -27.2 33.3 71 74 A R E -b 47 0A 44 -25,-2.8 -23,-3.2 -2,-0.4 2,-0.3 -0.995 23.6-161.4-128.1 132.2 35.7 -29.6 33.4 72 75 A W E +bd 48 95A 0 22,-2.6 24,-2.3 -2,-0.4 2,-0.3 -0.887 22.7 165.4-127.3 155.7 33.0 -29.3 30.7 73 76 A S E -bd 49 96A 1 -25,-1.6 -23,-2.0 -2,-0.3 24,-0.2 -0.965 38.6-107.2-155.2 147.0 29.5 -30.2 29.8 74 77 A S - 0 0 0 22,-0.7 -23,-0.2 -2,-0.3 3,-0.1 -0.184 13.4-141.2 -72.3 171.7 27.1 -28.9 27.1 75 78 A C S S+ 0 0 17 1,-0.2 2,-0.3 -26,-0.1 -1,-0.1 0.137 87.4 47.7-119.6 15.1 24.2 -26.6 27.9 76 79 A N S > S- 0 0 56 -26,-0.1 4,-0.7 1,-0.0 -24,-0.3 -0.954 79.7-130.2-153.7 135.8 21.9 -28.3 25.3 77 80 A I T 4 S+ 0 0 36 -2,-0.3 23,-1.7 1,-0.2 24,-1.1 0.755 107.1 22.7 -60.9 -26.6 21.3 -32.0 24.8 78 81 A F T 4 S+ 0 0 112 21,-0.3 -1,-0.2 22,-0.2 21,-0.0 0.740 99.2 84.6-110.4 -34.1 21.9 -31.8 21.1 79 82 A S T 4 + 0 0 31 20,-0.1 -2,-0.1 2,-0.1 2,-0.1 0.719 68.5 104.3 -42.5 -31.7 24.0 -28.7 20.4 80 83 A T < - 0 0 0 -4,-0.7 2,-0.5 18,-0.2 -27,-0.3 -0.325 64.9-143.2 -64.3 130.1 27.2 -30.6 21.1 81 84 A Q > - 0 0 63 -29,-4.0 4,-1.5 1,-0.1 5,-0.1 -0.817 10.0-151.8 -91.0 128.2 29.4 -31.6 18.2 82 85 A D H > S+ 0 0 35 -2,-0.5 4,-3.7 2,-0.2 5,-0.2 0.893 90.0 51.2 -73.0 -42.9 30.9 -35.0 18.9 83 86 A H H > S+ 0 0 23 1,-0.2 4,-1.4 2,-0.2 -69,-0.3 0.810 115.1 48.2 -64.8 -25.0 34.2 -35.0 17.0 84 87 A A H > S+ 0 0 0 -32,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.844 114.3 44.6 -80.3 -36.3 34.8 -31.7 18.8 85 88 A A H X S+ 0 0 0 -4,-1.5 4,-2.6 -33,-0.3 3,-0.4 0.907 111.8 53.2 -72.3 -42.9 33.9 -33.2 22.1 86 89 A A H X S+ 0 0 0 -4,-3.7 4,-3.5 1,-0.2 5,-0.2 0.901 105.8 52.9 -58.3 -45.4 36.0 -36.3 21.5 87 90 A A H X S+ 0 0 0 -4,-1.4 4,-0.8 -5,-0.2 -1,-0.2 0.789 110.6 48.9 -62.5 -29.0 39.1 -34.3 20.7 88 91 A I H <>S+ 0 0 0 -4,-0.8 5,-2.2 -3,-0.4 4,-0.3 0.950 113.7 43.5 -75.1 -51.1 38.7 -32.4 24.0 89 92 A A H ><5S+ 0 0 2 -4,-2.6 3,-1.7 1,-0.3 -2,-0.2 0.934 116.7 48.7 -57.0 -45.8 38.2 -35.6 26.0 90 93 A K H 3<5S+ 0 0 86 -4,-3.5 -1,-0.3 1,-0.3 -2,-0.2 0.758 99.7 66.8 -65.2 -25.3 41.1 -37.1 24.0 91 94 A A T 3<5S- 0 0 42 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.566 128.1 -99.6 -72.7 -5.3 43.1 -33.9 24.7 92 95 A G T < 5S+ 0 0 67 -3,-1.7 -3,-0.2 1,-0.4 -2,-0.2 0.595 85.7 129.4 95.9 13.4 43.0 -35.1 28.3 93 96 A I < - 0 0 17 -5,-2.2 2,-0.9 -6,-0.1 -1,-0.4 -0.854 62.6-121.0-105.5 135.1 40.1 -32.8 29.3 94 97 A P + 0 0 27 0, 0.0 -22,-2.6 0, 0.0 2,-0.4 -0.652 41.7 167.5 -77.9 103.8 37.1 -34.2 31.1 95 98 A V E - d 0 72A 0 -2,-0.9 -91,-2.6 -24,-0.2 2,-0.5 -0.955 22.0-165.6-119.1 136.7 34.0 -33.4 28.9 96 99 A F E +ad 4 73A 0 -24,-2.3 -22,-0.7 -2,-0.4 2,-0.3 -0.806 46.3 107.0-122.3 87.3 30.6 -35.0 29.5 97 100 A A + 0 0 0 -93,-1.5 -91,-0.4 -2,-0.5 2,-0.3 -0.864 29.2 167.4-167.0 131.7 28.6 -34.3 26.4 98 101 A W - 0 0 22 -2,-0.3 3,-0.3 -93,-0.2 2,-0.2 -0.977 46.9 -93.3-139.9 149.2 27.2 -36.2 23.4 99 102 A K S S+ 0 0 116 -2,-0.3 -21,-0.3 1,-0.2 -22,-0.1 -0.463 106.0 20.7 -66.1 129.8 24.6 -35.1 20.8 100 103 A G S S+ 0 0 34 -23,-1.7 -22,-0.2 -2,-0.2 -1,-0.2 0.974 80.6 169.9 79.7 60.3 21.1 -36.2 21.8 101 104 A E - 0 0 8 -24,-1.1 2,-0.3 -3,-0.3 -1,-0.1 -0.524 34.9-105.8 -98.4 169.6 21.2 -36.9 25.5 102 105 A T > - 0 0 45 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.667 29.9-113.5 -92.5 150.0 18.3 -37.5 27.9 103 106 A D H > S+ 0 0 108 -2,-0.3 4,-1.0 1,-0.2 -1,-0.1 0.714 122.5 52.3 -53.9 -17.0 17.2 -34.8 30.3 104 107 A E H > S+ 0 0 142 2,-0.2 4,-1.3 1,-0.1 -1,-0.2 0.897 108.4 43.6 -86.1 -47.3 18.6 -37.4 32.8 105 108 A E H > S+ 0 0 64 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.766 110.7 60.7 -69.7 -24.7 22.1 -37.9 31.3 106 109 A Y H X S+ 0 0 23 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.954 103.6 46.1 -66.1 -51.5 22.3 -34.2 30.9 107 110 A L H X S+ 0 0 79 -4,-1.0 4,-2.1 -5,-0.2 -1,-0.2 0.824 114.0 51.3 -61.0 -31.6 21.9 -33.4 34.6 108 111 A W H X S+ 0 0 68 -4,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.918 104.5 54.6 -71.0 -45.9 24.5 -36.1 35.3 109 112 A C H X S+ 0 0 1 -4,-2.4 4,-0.7 1,-0.2 3,-0.2 0.908 111.4 47.1 -53.1 -44.1 27.0 -34.7 32.8 110 113 A I H >< S+ 0 0 0 -4,-2.0 3,-2.0 1,-0.2 4,-0.3 0.963 104.9 57.8 -62.9 -53.0 26.8 -31.4 34.6 111 114 A E H >< S+ 0 0 76 -4,-2.1 3,-1.1 1,-0.3 4,-0.3 0.795 100.2 62.7 -47.6 -31.5 27.1 -32.9 38.0 112 115 A Q H >< S+ 0 0 49 -4,-1.6 3,-0.8 -3,-0.2 -1,-0.3 0.804 92.9 59.9 -66.7 -33.0 30.4 -34.3 36.8 113 116 A T T << S+ 0 0 0 -3,-2.0 -1,-0.2 -4,-0.7 -42,-0.2 0.387 87.7 79.5 -79.8 6.1 32.1 -30.9 36.2 114 117 A L T < S+ 0 0 1 -3,-1.1 7,-2.6 -4,-0.3 2,-0.5 0.713 86.0 54.2 -87.4 -23.1 31.7 -29.9 39.9 115 118 A H E < -I 120 0B 97 -3,-0.8 2,-0.2 5,-0.3 -1,-0.1 -0.953 62.0-170.7-125.0 128.8 34.6 -31.8 41.5 116 119 A F E > -I 119 0B 23 3,-4.2 3,-1.4 -2,-0.5 -71,-0.0 -0.508 42.0-100.1-104.2 172.9 38.3 -31.7 40.5 117 120 A K T 3 S+ 0 0 130 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.826 127.6 41.8 -60.9 -33.5 41.4 -33.7 41.6 118 121 A D T 3 S- 0 0 119 1,-0.3 -1,-0.3 2,-0.0 -73,-0.0 0.318 131.9 -75.2 -97.2 6.2 42.3 -30.9 43.9 119 122 A G E < S-I 116 0B 22 -3,-1.4 -3,-4.2 0, 0.0 -1,-0.3 -0.857 74.1 -24.0 133.3-169.1 38.8 -30.2 45.1 120 123 A P E S-I 115 0B 46 0, 0.0 -5,-0.3 0, 0.0 -6,-0.1 -0.290 76.9 -77.5 -77.8 163.9 35.5 -28.7 43.9 121 124 A L - 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