==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-MAR-05 2BLN . COMPND 2 MOLECULE: PROTEIN YFBG; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.J.WILLIAMS,S.D.BREAZEALE,C.R.H.RAETZ,J.H.NAISMITH . 598 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26611.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 416 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 4 0.7 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 0.3 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 . 43 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 21.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.0 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 2 0 0 3 4 1 2 0 0 2 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 0 2 4 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 . 5 2 2 4 2 0 2 2 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 . 2 0 0 0 0 2 1 1 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 1 A M 0 0 64 0, 0.0 24,-2.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 123.9 5.5 63.5 5.5 2 2 A K E -a 25 0A 63 22,-0.2 70,-2.1 68,-0.2 71,-1.5 -0.765 360.0-177.4 -98.4 142.6 6.1 61.1 8.4 3 3 A T E -ab 26 73A 0 22,-2.8 24,-2.4 -2,-0.3 25,-0.7 -0.984 28.2-149.1-144.4 150.4 8.9 58.6 8.4 4 4 A V E -ab 28 74A 0 69,-1.2 71,-1.6 -2,-0.3 2,-0.4 -0.973 31.3-154.4-111.6 133.5 10.4 55.7 10.4 5 5 A V E -ab 29 75A 0 23,-2.3 25,-2.8 -2,-0.4 2,-0.5 -0.907 18.3-160.6-120.5 137.5 14.1 55.5 9.8 6 6 A F E +ab 30 76A 0 69,-2.8 71,-2.9 -2,-0.4 73,-0.5 -0.974 36.1 156.1-111.6 122.8 16.6 52.7 10.0 7 7 A A E + b 0 77A 0 23,-2.8 2,-0.3 -2,-0.5 25,-0.3 -1.000 22.1 173.2-156.9 148.3 20.1 54.1 10.3 8 8 A Y > - 0 0 22 69,-2.1 4,-1.8 -2,-0.3 3,-0.2 -0.989 50.8 -8.5-155.8 150.1 23.6 53.5 11.4 9 9 A H H > S- 0 0 20 -2,-0.3 4,-2.2 29,-0.2 5,-0.1 -0.105 108.5 -32.0 62.3-160.8 27.0 55.2 11.3 10 10 A D H > S+ 0 0 29 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.897 139.3 50.3 -65.2 -41.0 27.9 58.3 9.2 11 11 A M H > S+ 0 0 2 -3,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.892 111.3 52.2 -63.1 -37.8 25.5 57.6 6.4 12 12 A G H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.936 110.1 46.9 -61.7 -47.3 22.8 57.1 9.0 13 13 A C H X S+ 0 0 22 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.935 114.4 45.5 -62.1 -48.2 23.6 60.4 10.6 14 14 A L H X S+ 0 0 8 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.856 111.2 54.2 -68.2 -30.6 23.7 62.4 7.3 15 15 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.936 110.0 46.5 -66.4 -44.1 20.5 60.7 6.1 16 16 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.943 113.1 49.7 -61.0 -46.3 18.7 61.7 9.3 17 17 A E H X S+ 0 0 79 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.906 110.8 49.8 -58.8 -43.7 20.0 65.2 9.0 18 18 A A H X S+ 0 0 11 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.896 110.2 50.3 -64.5 -41.4 18.9 65.4 5.3 19 19 A L H <>S+ 0 0 0 -4,-2.4 5,-2.4 2,-0.2 4,-0.2 0.930 111.8 47.6 -60.5 -46.1 15.4 64.2 6.2 20 20 A L H ><5S+ 0 0 56 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.920 111.7 50.3 -64.3 -41.7 15.1 66.8 8.9 21 21 A A H 3<5S+ 0 0 92 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.815 107.7 53.9 -65.1 -29.6 16.3 69.5 6.6 22 22 A A T 3<5S- 0 0 25 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.381 122.7-107.0 -85.8 2.8 13.8 68.4 3.9 23 23 A G T < 5 + 0 0 43 -3,-1.5 -3,-0.2 1,-0.3 2,-0.2 0.582 65.7 151.4 84.2 16.1 11.0 68.8 6.5 24 24 A Y < - 0 0 7 -5,-2.4 2,-0.7 -6,-0.2 -1,-0.3 -0.495 44.3-129.2 -74.7 148.8 10.2 65.1 7.1 25 25 A E E -a 2 0A 116 -24,-2.7 -22,-2.8 -2,-0.2 2,-0.7 -0.896 18.7-154.6 -99.3 115.1 8.9 64.2 10.6 26 26 A I E +a 3 0A 14 -2,-0.7 -22,-0.2 -24,-0.2 3,-0.1 -0.820 15.8 178.8 -95.4 113.2 10.9 61.4 12.0 27 27 A S E - 0 0 22 -24,-2.4 2,-0.3 -2,-0.7 -23,-0.2 0.738 66.8 -4.0 -85.1 -25.6 8.8 59.4 14.5 28 28 A A E -a 4 0A 0 -25,-0.7 -23,-2.3 21,-0.1 2,-0.4 -0.956 56.0-146.4-165.4 147.8 11.4 56.8 15.4 29 29 A I E -ac 5 51A 0 21,-2.1 23,-2.4 -2,-0.3 2,-0.5 -0.987 9.8-157.5-121.8 133.6 14.9 55.7 14.5 30 30 A F E +ac 6 52A 3 -25,-2.8 -23,-2.8 -2,-0.4 23,-0.2 -0.934 28.9 149.3-106.9 132.5 16.0 52.1 14.5 31 31 A T - 0 0 4 21,-2.7 2,-0.3 -2,-0.5 -23,-0.2 -0.663 38.7 -95.7-143.6-166.3 19.7 51.5 14.9 32 32 A H - 0 0 22 -25,-0.3 9,-0.2 -2,-0.2 2,-0.1 -0.893 30.3-110.5-121.2 154.5 22.3 49.1 16.2 33 33 A T 0 0 111 -2,-0.3 0, 0.0 20,-0.3 0, 0.0 -0.504 360.0 360.0 -70.8 150.0 24.3 48.9 19.5 34 34 A D 0 0 158 -2,-0.1 -1,-0.1 5,-0.0 5,-0.0 -0.674 360.0 360.0 -81.9 360.0 28.0 49.6 18.9 35 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 36 41 A F 0 0 125 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -16.0 35.3 56.8 14.3 37 42 A Y - 0 0 74 1,-0.1 -28,-0.1 -27,-0.0 2,-0.0 -0.393 360.0-101.8 -72.4 148.9 31.8 56.9 12.9 38 43 A G - 0 0 18 -2,-0.1 2,-0.7 1,-0.1 -29,-0.2 -0.335 38.1-114.7 -57.3 149.6 29.0 59.3 14.1 39 44 A S > - 0 0 23 1,-0.2 4,-2.1 -31,-0.1 5,-0.1 -0.815 18.9-165.4 -97.5 112.3 26.5 57.9 16.4 40 45 A V H > S+ 0 0 2 -2,-0.7 4,-2.9 2,-0.2 5,-0.2 0.904 92.8 55.1 -57.8 -43.3 22.9 57.7 15.1 41 46 A A H > S+ 0 0 39 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.922 107.8 47.8 -59.5 -44.6 21.7 57.1 18.7 42 47 A R H > S+ 0 0 137 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.906 112.5 49.8 -63.7 -41.0 23.4 60.3 20.0 43 48 A L H X S+ 0 0 10 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.955 111.8 47.7 -61.5 -47.5 21.9 62.2 17.1 44 49 A A H X>S+ 0 0 0 -4,-2.9 5,-2.7 1,-0.2 4,-0.6 0.935 112.3 50.2 -56.5 -45.8 18.5 60.9 17.7 45 50 A A H ><5S+ 0 0 68 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.919 111.5 47.1 -62.0 -46.5 18.8 61.7 21.4 46 51 A E H 3<5S+ 0 0 121 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.866 114.0 48.6 -63.4 -35.0 20.0 65.3 20.7 47 52 A R H 3<5S- 0 0 109 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.453 114.2-116.4 -85.8 -1.8 17.1 65.8 18.2 48 53 A G T <<5 + 0 0 63 -3,-0.9 -3,-0.2 -4,-0.6 -4,-0.1 0.805 65.9 141.9 73.3 31.3 14.5 64.4 20.6 49 54 A I < - 0 0 16 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.894 57.3-112.0-108.2 130.4 13.6 61.4 18.5 50 55 A P - 0 0 63 0, 0.0 -21,-2.1 0, 0.0 2,-0.4 -0.342 38.9-165.4 -57.6 138.2 12.8 58.0 20.0 51 56 A V E -c 29 0A 46 -23,-0.2 2,-0.3 -21,-0.0 -21,-0.2 -0.982 10.1-175.4-136.2 141.2 15.6 55.6 19.2 52 57 A Y E -c 30 0A 60 -23,-2.4 -21,-2.7 -2,-0.4 -24,-0.0 -0.985 14.5-170.2-139.1 144.0 15.6 51.8 19.4 53 58 A A + 0 0 40 -2,-0.3 -20,-0.3 -23,-0.2 -23,-0.1 -0.319 18.2 168.1-133.4 54.1 18.2 49.2 18.9 54 59 A P - 0 0 23 0, 0.0 3,-0.3 0, 0.0 -2,-0.1 -0.375 41.4-127.1 -61.5 145.7 16.7 45.7 19.0 55 60 A D S S+ 0 0 70 1,-0.3 2,-0.4 -23,-0.1 388,-0.0 0.893 101.7 21.7 -60.4 -38.1 18.9 43.0 17.8 56 61 A N - 0 0 61 386,-0.1 -1,-0.3 1,-0.1 386,-0.1 -0.924 62.1-174.6-136.3 108.6 16.2 41.9 15.4 57 62 A V + 0 0 0 -2,-0.4 2,-2.2 -3,-0.3 5,-0.1 0.633 67.1 93.7 -73.6 -14.6 13.5 44.3 14.5 58 63 A N + 0 0 14 24,-0.2 -1,-0.2 4,-0.1 3,-0.1 -0.407 58.7 121.1 -83.1 66.6 11.6 41.7 12.6 59 64 A H S >> S- 0 0 65 -2,-2.2 4,-2.4 1,-0.1 3,-0.9 -0.977 73.9-118.7-132.1 137.6 9.4 40.8 15.6 60 65 A P H 3> S+ 0 0 16 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.843 114.3 52.5 -44.3 -45.3 5.6 41.0 15.6 61 66 A L H 3> S+ 0 0 89 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.844 109.6 46.9 -70.6 -31.5 5.7 43.5 18.4 62 67 A W H <> S+ 0 0 48 -3,-0.9 4,-3.0 2,-0.2 5,-0.3 0.886 111.9 52.4 -73.3 -33.7 8.1 45.8 16.6 63 68 A V H X S+ 0 0 25 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.963 111.5 46.3 -61.0 -48.2 6.0 45.5 13.4 64 69 A E H X S+ 0 0 87 -4,-2.9 4,-2.1 -5,-0.2 -2,-0.2 0.932 113.1 49.7 -61.4 -44.5 2.9 46.4 15.5 65 70 A R H X S+ 0 0 110 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.911 111.0 47.7 -61.7 -48.5 4.8 49.3 17.0 66 71 A I H >< S+ 0 0 0 -4,-3.0 3,-0.9 1,-0.2 4,-0.4 0.914 110.1 54.1 -59.0 -42.9 6.1 50.7 13.7 67 72 A A H >< S+ 0 0 43 -4,-2.6 3,-1.8 -5,-0.3 -1,-0.2 0.915 103.7 55.6 -57.7 -41.2 2.5 50.4 12.3 68 73 A Q H 3< S+ 0 0 140 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.721 97.7 63.6 -69.0 -18.6 1.2 52.5 15.1 69 74 A L T << S- 0 0 52 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.581 98.9-140.6 -78.4 -9.0 3.7 55.2 14.2 70 75 A S < - 0 0 67 -3,-1.8 -68,-0.2 -4,-0.4 -3,-0.1 0.864 23.2-167.2 56.2 45.9 1.9 55.7 10.9 71 76 A P - 0 0 3 0, 0.0 -68,-0.2 0, 0.0 -1,-0.2 -0.367 19.9-160.2 -64.2 139.7 4.9 56.2 8.6 72 77 A D S S+ 0 0 54 -70,-2.1 21,-2.8 1,-0.3 22,-0.4 0.824 80.3 7.9 -73.9 -36.9 4.2 57.5 5.2 73 78 A V E -b 3 0A 0 -71,-1.5 -69,-1.2 20,-0.2 2,-0.4 -0.975 67.3-141.1-147.7 151.9 7.6 56.3 4.0 74 79 A I E -bd 4 95A 0 20,-2.2 22,-2.5 -2,-0.3 2,-0.4 -0.959 15.4-166.6-119.3 140.7 10.5 54.3 5.4 75 80 A F E -bd 5 96A 0 -71,-1.6 -69,-2.8 -2,-0.4 2,-0.5 -0.975 7.8-160.8-124.8 145.0 14.2 55.0 4.8 76 81 A S E +bd 6 97A 2 20,-2.3 22,-2.2 -2,-0.4 2,-0.4 -0.992 8.3 179.1-122.1 126.8 17.3 52.9 5.4 77 82 A F E S-bd 7 98A 0 -71,-2.9 -69,-2.1 -2,-0.5 3,-0.1 -0.817 78.3 -37.6-128.1 85.5 20.6 54.6 5.7 78 83 A Y S S+ 0 0 62 20,-0.6 2,-0.2 -2,-0.4 -71,-0.2 0.635 83.6 158.5 68.9 23.0 23.3 51.9 6.4 79 84 A Y - 0 0 7 -73,-0.5 -1,-0.3 1,-0.1 -71,-0.1 -0.515 33.7-146.8 -65.3 140.4 21.1 49.8 8.6 80 85 A R + 0 0 104 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.1 0.696 64.4 74.5 -92.7 -20.8 22.7 46.4 8.5 81 86 A H S S- 0 0 60 1,-0.1 -2,-0.1 0, 0.0 -25,-0.0 -0.759 83.7-105.8-105.5 141.2 19.9 43.9 8.8 82 87 A L - 0 0 35 -2,-0.4 2,-0.5 1,-0.1 -24,-0.2 -0.338 32.0-142.0 -57.9 137.6 17.2 42.9 6.3 83 88 A I - 0 0 12 48,-0.2 -1,-0.1 -26,-0.1 5,-0.1 -0.909 22.8-119.6-106.6 124.4 13.9 44.4 7.1 84 89 A Y >> - 0 0 38 -2,-0.5 4,-2.1 1,-0.1 3,-1.8 -0.215 17.7-112.7 -69.3 156.9 11.0 42.1 6.4 85 90 A D H 3> S+ 0 0 59 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.807 113.1 70.0 -54.7 -33.2 8.2 42.8 4.0 86 91 A E H 34 S+ 0 0 54 1,-0.2 -1,-0.3 2,-0.2 -2,-0.0 0.789 108.6 35.4 -54.5 -35.5 5.9 43.0 7.0 87 92 A I H X4 S+ 0 0 0 -3,-1.8 3,-1.8 2,-0.1 4,-0.3 0.878 115.7 53.0 -82.5 -48.6 7.5 46.2 8.0 88 93 A L H >< S+ 0 0 16 -4,-2.1 3,-1.1 1,-0.3 -2,-0.2 0.855 104.1 57.2 -59.7 -36.0 8.3 47.7 4.6 89 94 A Q T 3< S+ 0 0 142 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.1 0.535 87.4 79.0 -75.0 -4.4 4.6 47.3 3.4 90 95 A L T < S+ 0 0 55 -3,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.734 79.6 76.4 -73.3 -23.4 3.4 49.4 6.3 91 96 A A X - 0 0 6 -3,-1.1 3,-1.7 -4,-0.3 -19,-0.2 -0.800 69.1-153.2 -98.0 117.8 4.3 52.7 4.5 92 97 A P T 3 S+ 0 0 110 0, 0.0 -19,-0.2 0, 0.0 -1,-0.1 0.808 97.5 47.7 -60.2 -33.2 2.0 53.8 1.7 93 98 A A T 3 S- 0 0 33 -21,-2.8 -20,-0.2 1,-0.3 2,-0.1 0.433 112.7-129.4 -88.5 3.4 4.8 55.7 -0.1 94 99 A G < - 0 0 17 -3,-1.7 -20,-2.2 -22,-0.4 2,-0.4 -0.437 23.2 -65.1 89.0-162.1 7.1 52.7 0.2 95 100 A A E -d 74 0A 6 35,-0.2 35,-2.6 -22,-0.2 2,-0.3 -0.991 37.2-166.4-140.3 137.8 10.6 52.3 1.4 96 101 A F E -dE 75 129A 1 -22,-2.5 -20,-2.3 -2,-0.4 2,-0.4 -0.956 2.7-159.8-131.3 148.4 14.0 53.5 0.1 97 102 A N E -dE 76 128A 10 31,-2.8 31,-2.3 -2,-0.3 2,-0.6 -0.964 13.4-140.2-128.8 145.1 17.6 52.6 0.9 98 103 A L E -dE 77 127A 2 -22,-2.2 -20,-0.6 -2,-0.4 2,-0.4 -0.912 25.0-173.2-105.1 115.5 20.8 54.5 0.3 99 104 A H E - E 0 126A 11 27,-3.0 27,-2.7 -2,-0.6 2,-1.3 -0.908 26.9-129.8-115.8 136.8 23.6 52.2 -0.9 100 105 A G S S+ 0 0 0 -2,-0.4 2,-0.3 25,-0.2 24,-0.2 -0.230 78.5 60.9 -84.7 50.6 27.2 53.2 -1.4 101 106 A S S S- 0 0 0 -2,-1.3 2,-1.5 22,-0.1 -2,-0.2 -0.964 92.7 -90.1-154.7 174.5 27.8 51.9 -4.9 102 107 A L > - 0 0 20 -2,-0.3 3,-1.9 20,-0.1 5,-0.1 -0.643 69.4-118.5 -84.9 76.1 26.7 52.3 -8.5 103 108 A L T 3 S+ 0 0 3 -2,-1.5 3,-0.1 1,-0.4 87,-0.1 -0.248 96.7 39.9 -53.2 143.8 24.0 49.7 -8.4 104 109 A P T > S+ 0 0 14 0, 0.0 87,-2.0 0, 0.0 3,-0.7 -0.982 113.4 70.7 -83.9 4.0 23.5 47.2 -9.9 105 110 A K T < S+ 0 0 91 -3,-1.9 87,-0.1 85,-0.3 85,-0.1 -0.558 103.9 16.1 -75.3 145.3 27.3 46.8 -9.4 106 111 A Y T 3 S+ 0 0 16 -2,-0.2 -1,-0.2 1,-0.1 86,-0.2 0.801 75.7 171.5 60.5 39.7 28.5 46.2 -5.8 107 112 A R E < +h 192 0B 17 84,-2.7 86,-2.4 -3,-0.7 2,-0.2 -0.319 47.2 30.2 -58.0 156.7 25.3 45.1 -4.2 108 113 A G E S-h 193 0B 7 84,-0.2 86,-0.2 2,-0.0 2,-0.1 -0.560 98.7 -0.5 97.0-151.6 25.9 43.7 -0.7 109 114 A R S S+ 0 0 67 84,-2.1 5,-0.1 -2,-0.2 84,-0.1 -0.376 110.7 1.1 -86.4 153.4 28.4 44.4 2.0 110 115 A A >> + 0 0 31 1,-0.1 4,-2.5 -2,-0.1 3,-0.5 0.791 59.9 166.5 49.8 46.0 31.3 46.7 2.2 111 116 A P H 3> S+ 0 0 10 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.832 73.5 63.0 -62.0 -27.2 31.1 48.4 -1.2 112 117 A L H 3> S+ 0 0 14 2,-0.2 4,-0.9 1,-0.2 -2,-0.1 0.938 111.1 35.9 -54.4 -50.5 33.5 51.0 0.0 113 118 A N H <> S+ 0 0 13 -3,-0.5 4,-2.7 1,-0.2 3,-0.2 0.904 114.1 55.4 -76.2 -40.7 36.2 48.5 0.5 114 119 A W H X S+ 0 0 36 -4,-2.5 4,-2.2 1,-0.2 6,-0.2 0.873 102.6 54.9 -64.7 -37.6 35.4 46.2 -2.5 115 120 A V H <>S+ 0 0 1 -4,-2.0 5,-2.5 -5,-0.2 -1,-0.2 0.893 112.6 45.2 -64.6 -33.0 35.6 49.0 -5.1 116 121 A L H ><5S+ 0 0 0 -4,-0.9 3,-1.7 -5,-0.2 -2,-0.2 0.946 110.1 53.0 -70.6 -47.5 39.1 49.8 -3.8 117 122 A V H 3<5S+ 0 0 18 -4,-2.7 -2,-0.2 1,-0.3 98,-0.2 0.884 112.3 46.9 -50.2 -43.8 40.1 46.1 -3.7 118 123 A N T 3<5S- 0 0 76 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.439 112.2-118.3 -86.3 1.2 39.0 45.8 -7.3 119 124 A G T < 5 + 0 0 29 -3,-1.7 -3,-0.2 -4,-0.2 -2,-0.1 0.791 47.2 173.6 68.3 30.2 40.8 48.9 -8.5 120 125 A E < - 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