==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-OCT-01 1K5Q . COMPND 2 MOLECULE: PENICILLIN G ACYLASE ALPHA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.M.H.HENSGENS,E.KEIZER,H.J.SNIJDER,B.W.DIJKSTRA . 763 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28093.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 490 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 121 15.9 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.7 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 . 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 . 36 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 200 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.9 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 3 1 2 0 2 2 2 2 2 1 0 2 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 2 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 8 4 3 3 2 3 3 1 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 . 3 1 0 0 2 0 0 0 1 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 3 A S > 0 0 84 0, 0.0 3,-2.0 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 149.0 -12.8 -25.1 30.0 2 4 A S T 3 + 0 0 76 1,-0.3 19,-0.3 18,-0.1 18,-0.2 0.626 360.0 50.8 -49.2 -20.9 -13.8 -21.5 29.6 3 5 A S T 3 S+ 0 0 17 17,-0.1 759,-2.2 16,-0.1 2,-0.4 0.347 86.4 112.7-105.9 10.7 -10.3 -20.4 30.6 4 6 A E E < -A 761 0A 78 -3,-2.0 16,-0.5 757,-0.2 2,-0.5 -0.653 41.1-174.9 -88.3 132.8 -8.4 -22.7 28.2 5 7 A I E -A 760 0A 0 755,-2.7 755,-3.0 -2,-0.4 2,-0.5 -0.963 8.3-162.0-126.4 110.9 -6.3 -21.4 25.3 6 8 A K E -AB 759 18A 34 12,-2.4 12,-2.6 -2,-0.5 2,-0.5 -0.817 2.8-167.3 -96.2 133.7 -4.9 -23.9 23.0 7 9 A I E +AB 758 17A 4 751,-3.1 751,-1.0 -2,-0.5 2,-0.5 -0.972 7.2 179.3-120.8 115.3 -2.0 -22.9 20.7 8 10 A V E -AB 757 16A 0 8,-2.6 8,-2.3 -2,-0.5 2,-0.4 -0.972 10.9-158.4-118.0 125.0 -1.1 -25.3 17.9 9 11 A R E -AB 756 15A 24 747,-1.7 746,-3.3 -2,-0.5 747,-1.4 -0.851 10.7-142.4-104.3 137.1 1.7 -24.3 15.5 10 12 A D > - 0 0 0 4,-2.2 3,-1.7 -2,-0.4 744,-0.2 0.024 42.6 -74.3 -83.6-166.1 2.0 -25.9 12.1 11 13 A E T 3 S+ 0 0 95 742,-0.3 743,-0.1 1,-0.3 -1,-0.1 0.493 133.0 47.3 -75.9 -2.5 5.1 -27.0 10.1 12 14 A Y T 3 S- 0 0 65 2,-0.1 702,-0.5 701,-0.0 -1,-0.3 0.189 121.2-104.0-115.6 11.3 6.0 -23.4 9.3 13 15 A G < + 0 0 2 -3,-1.7 -2,-0.1 1,-0.3 714,-0.1 0.426 69.0 152.6 81.1 -1.3 5.5 -22.2 12.9 14 16 A M - 0 0 0 -5,-0.1 -4,-2.2 1,-0.1 2,-0.3 -0.457 40.2-131.3 -65.8 122.1 2.2 -20.5 12.0 15 17 A P E -B 9 0A 0 0, 0.0 228,-2.0 0, 0.0 2,-0.5 -0.582 18.3-166.0 -82.3 138.7 0.0 -20.4 15.2 16 18 A H E -Bc 8 243A 0 -8,-2.3 -8,-2.6 -2,-0.3 2,-0.4 -0.994 13.9-155.5-119.0 117.6 -3.6 -21.5 15.4 17 19 A I E -Bc 7 244A 0 226,-2.9 228,-1.8 -2,-0.5 2,-0.4 -0.775 5.9-164.7 -95.8 139.2 -5.4 -20.3 18.6 18 20 A Y E +Bc 6 245A 33 -12,-2.6 -12,-2.4 -2,-0.4 2,-0.3 -0.991 24.3 147.0-124.7 123.9 -8.4 -22.1 20.0 19 21 A A - 0 0 8 226,-1.9 228,-0.4 -2,-0.4 -14,-0.1 -0.993 44.9-134.4-155.6 157.1 -10.5 -20.4 22.6 20 22 A N S S+ 0 0 98 -16,-0.5 227,-1.1 -2,-0.3 2,-0.2 0.959 84.3 29.0 -79.9 -55.3 -14.1 -20.1 23.9 21 23 A D S > S- 0 0 69 -19,-0.3 4,-1.9 225,-0.1 227,-0.0 -0.547 85.3-102.2-107.4 172.7 -14.7 -16.3 24.3 22 24 A T H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 5,-0.4 0.939 114.9 50.3 -57.9 -56.6 -13.3 -13.2 22.7 23 25 A W H > S+ 0 0 10 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.893 112.8 48.3 -53.8 -42.2 -10.8 -12.1 25.3 24 26 A H H > S+ 0 0 3 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.885 109.1 53.7 -66.9 -38.0 -9.3 -15.5 25.5 25 27 A L H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.958 114.5 38.5 -60.5 -54.3 -9.0 -15.8 21.7 26 28 A F H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.691 109.3 63.4 -75.4 -16.8 -7.0 -12.5 21.2 27 29 A Y H X S+ 0 0 24 -4,-1.3 4,-2.2 -5,-0.4 -1,-0.2 0.941 106.0 45.7 -66.3 -45.2 -5.1 -13.3 24.4 28 30 A G H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.892 111.5 52.6 -61.5 -40.4 -3.8 -16.3 22.5 29 31 A Y H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.964 111.5 44.7 -61.6 -52.6 -3.1 -14.2 19.5 30 32 A G H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.843 109.7 58.4 -60.3 -33.8 -1.1 -11.6 21.4 31 33 A Y H X S+ 0 0 1 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.960 109.6 40.9 -60.7 -54.0 0.7 -14.4 23.2 32 34 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.811 112.7 55.7 -67.9 -32.0 2.1 -15.9 20.1 33 35 A V H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.909 106.8 50.1 -64.5 -45.6 2.8 -12.5 18.5 34 36 A A H X S+ 0 0 1 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.878 112.9 49.3 -59.4 -34.6 4.9 -11.7 21.6 35 37 A Q H < S+ 0 0 34 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.927 121.1 31.3 -71.1 -44.0 6.7 -15.0 21.0 36 38 A D H < S+ 0 0 10 -4,-2.5 680,-2.6 1,-0.1 681,-0.2 0.815 135.1 14.4 -86.7 -36.3 7.4 -14.5 17.3 37 39 A R H X S+ 0 0 5 -4,-3.0 4,-3.1 -5,-0.2 5,-0.3 -0.020 70.9 137.4-137.1 36.5 7.9 -10.8 16.7 38 40 A L H X S+ 0 0 5 -4,-0.8 4,-2.7 1,-0.2 5,-0.2 0.887 81.7 41.8 -54.5 -48.8 8.4 -9.0 20.1 39 41 A F H > S+ 0 0 6 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.945 115.1 52.1 -65.7 -45.1 11.2 -6.8 18.9 40 42 A Q H > S+ 0 0 5 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.933 113.8 43.3 -53.1 -48.1 9.4 -6.1 15.7 41 43 A M H X S+ 0 0 4 -4,-3.1 4,-2.8 2,-0.2 -1,-0.2 0.883 111.2 53.9 -69.0 -39.2 6.2 -5.1 17.5 42 44 A E H X S+ 0 0 2 -4,-2.7 4,-1.9 -5,-0.3 -1,-0.2 0.916 113.4 42.8 -60.0 -44.4 8.1 -3.1 20.1 43 45 A M H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.850 113.0 52.3 -73.4 -31.5 9.7 -1.0 17.4 44 46 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.3 -2,-0.2 0.899 107.8 53.0 -66.4 -39.8 6.5 -0.8 15.5 45 47 A R H X S+ 0 0 21 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.920 111.2 45.7 -58.5 -43.6 4.9 0.5 18.6 46 48 A R H X>S+ 0 0 15 -4,-1.9 5,-1.9 1,-0.2 4,-1.4 0.830 110.7 54.3 -71.4 -30.2 7.6 3.1 18.9 47 49 A S H <5S+ 0 0 0 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.934 111.9 43.2 -67.3 -45.7 7.2 3.9 15.2 48 50 A T H <5S+ 0 0 1 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.676 122.4 37.2 -78.6 -18.3 3.5 4.5 15.6 49 51 A Q H <5S- 0 0 33 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.516 108.4-118.6-107.7 -9.4 3.6 6.5 18.8 50 52 A G T <5S+ 0 0 0 -4,-1.4 -3,-0.2 -5,-0.2 -4,-0.1 0.942 74.0 124.5 73.8 50.2 6.9 8.4 18.0 51 53 A T < + 0 0 26 -5,-1.9 4,-0.4 -8,-0.1 -4,-0.2 -0.155 31.0 112.3-127.4 33.3 9.1 7.2 20.8 52 54 A V S >> S+ 0 0 0 -6,-0.5 4,-2.8 8,-0.2 3,-1.6 0.905 70.2 60.2 -74.6 -38.7 11.9 5.8 18.7 53 55 A A H 3> S+ 0 0 0 7,-0.4 263,-2.8 1,-0.3 4,-2.4 0.806 89.8 72.4 -58.1 -31.7 14.4 8.5 19.9 54 56 A E H 34 S+ 0 0 68 261,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.821 117.7 17.7 -55.9 -31.8 14.0 7.3 23.5 55 57 A V H <4 S+ 0 0 15 -3,-1.6 -2,-0.2 -4,-0.4 -1,-0.2 0.719 134.9 38.3-111.8 -29.7 15.9 4.2 22.5 56 58 A L H < S- 0 0 41 -4,-2.8 3,-0.3 1,-0.2 -3,-0.2 0.579 99.5-140.1-100.2 -11.1 17.7 5.0 19.3 57 59 A G >< - 0 0 6 -4,-2.4 3,-2.5 -5,-0.4 -1,-0.2 -0.246 46.0 -14.9 91.3-174.4 18.7 8.7 20.0 58 60 A K G > S+ 0 0 164 258,-0.5 3,-1.4 1,-0.3 4,-0.4 0.625 115.1 70.7 -42.4 -33.4 19.0 12.1 18.3 59 61 A D G 3 S+ 0 0 132 -3,-0.3 -1,-0.3 1,-0.2 4,-0.2 0.640 102.5 46.4 -67.9 -9.3 18.7 10.9 14.7 60 62 A F G <> S+ 0 0 41 -3,-2.5 4,-2.5 2,-0.1 -7,-0.4 0.270 80.1 97.5-114.3 11.0 15.0 10.0 15.3 61 63 A V H <> S+ 0 0 14 -3,-1.4 4,-2.9 2,-0.2 5,-0.2 0.931 88.0 46.4 -64.5 -45.3 13.8 13.2 17.0 62 64 A K H > S+ 0 0 180 -4,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.910 111.8 51.5 -64.1 -41.4 12.4 14.6 13.8 63 65 A F H > S+ 0 0 31 -4,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.915 112.0 47.4 -60.1 -44.5 10.8 11.3 13.0 64 66 A D H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.944 110.8 49.7 -62.8 -50.8 9.2 11.2 16.4 65 67 A K H X S+ 0 0 44 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.878 110.7 52.0 -56.2 -40.9 8.0 14.8 16.3 66 68 A D H < S+ 0 0 87 -4,-2.4 4,-0.4 -5,-0.2 -1,-0.2 0.904 109.1 49.3 -64.8 -42.0 6.5 14.1 12.9 67 69 A I H >< S+ 0 0 14 -4,-2.0 3,-2.0 1,-0.2 4,-0.3 0.971 112.9 45.0 -61.2 -54.9 4.6 11.0 14.1 68 70 A R H >< S+ 0 0 21 -4,-2.4 3,-1.0 1,-0.3 -1,-0.2 0.846 110.9 55.5 -61.1 -33.4 3.1 12.8 17.1 69 71 A R T 3< S+ 0 0 55 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.529 101.3 60.3 -73.4 -9.5 2.2 15.8 15.0 70 72 A N T < S+ 0 0 20 -3,-2.0 2,-0.3 -4,-0.4 -1,-0.2 0.387 109.5 30.9-103.2 4.3 0.2 13.6 12.6 71 73 A Y < - 0 0 11 -3,-1.0 260,-0.0 -4,-0.3 67,-0.0 -0.955 66.9-126.8-151.7 171.8 -2.3 12.2 15.1 72 74 A W >> - 0 0 24 -2,-0.3 3,-1.4 1,-0.1 4,-1.2 -0.854 16.4-165.8-126.9 96.1 -4.3 13.0 18.2 73 75 A P H 3> S+ 0 0 12 0, 0.0 4,-2.7 0, 0.0 3,-0.3 0.828 86.7 58.7 -50.0 -44.1 -3.9 10.3 20.9 74 76 A D H 3> S+ 0 0 98 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.855 102.6 54.6 -58.8 -34.8 -6.8 11.4 23.0 75 77 A A H <> S+ 0 0 29 -3,-1.4 4,-1.5 2,-0.2 -1,-0.3 0.870 108.7 48.3 -67.8 -36.1 -9.1 10.9 20.1 76 78 A I H X S+ 0 0 2 -4,-1.2 4,-2.0 -3,-0.3 -2,-0.2 0.933 111.6 50.0 -67.7 -43.7 -7.9 7.3 19.8 77 79 A R H X S+ 0 0 98 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.903 108.1 52.4 -61.0 -43.5 -8.4 6.8 23.5 78 80 A A H X S+ 0 0 60 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.875 107.5 52.9 -61.9 -37.4 -11.9 8.1 23.4 79 81 A Q H < S+ 0 0 30 -4,-1.5 4,-0.5 1,-0.2 -1,-0.2 0.923 110.1 47.9 -64.6 -39.8 -12.7 5.8 20.6 80 82 A I H >< S+ 0 0 16 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.918 108.3 54.3 -66.2 -40.2 -11.4 2.9 22.7 81 83 A A H 3< S+ 0 0 87 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.789 107.0 52.2 -64.3 -30.0 -13.4 4.0 25.7 82 84 A A T 3< S+ 0 0 86 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.531 84.5 114.6 -83.3 -9.0 -16.6 4.0 23.6 83 85 A L S < S- 0 0 32 -3,-1.3 -3,-0.0 -4,-0.5 -4,-0.0 -0.320 72.8-113.1 -63.5 143.5 -16.0 0.4 22.4 84 86 A S > - 0 0 53 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.287 33.8-101.4 -67.7 162.7 -18.5 -2.1 23.6 85 87 A P H > S+ 0 0 109 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.883 122.1 52.2 -52.6 -42.2 -17.3 -4.8 26.0 86 88 A E H > S+ 0 0 98 2,-0.2 4,-0.7 1,-0.2 -3,-0.0 0.938 112.4 42.5 -63.1 -49.6 -17.0 -7.4 23.2 87 89 A D H >> S+ 0 0 35 1,-0.2 4,-1.1 2,-0.2 3,-0.8 0.868 113.6 53.5 -64.5 -37.7 -14.9 -5.2 20.9 88 90 A M H 3X S+ 0 0 47 -4,-2.4 4,-3.6 1,-0.3 5,-0.4 0.900 97.9 64.5 -62.2 -42.2 -12.8 -4.0 23.9 89 91 A S H 3X S+ 0 0 9 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.794 97.7 58.4 -51.1 -31.0 -12.1 -7.7 24.7 90 92 A I H X S+ 0 0 87 -4,-1.6 4,-1.5 -5,-0.2 3,-0.5 0.873 112.1 52.9 -63.9 -34.7 7.9 -14.5 31.3 105 107 A V H 3< S+ 0 0 0 -4,-2.3 7,-0.3 1,-0.2 3,-0.2 0.930 109.6 45.5 -67.3 -45.6 10.5 -12.8 29.1 106 108 A N T 3< S+ 0 0 65 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.490 112.5 54.0 -80.0 1.6 11.5 -10.2 31.8 107 109 A T T <4 S+ 0 0 96 -3,-0.5 -1,-0.2 -4,-0.5 -2,-0.2 0.713 124.5 21.7 -98.5 -31.9 11.6 -13.0 34.4 108 110 A N S >X S+ 0 0 68 -4,-1.5 4,-2.3 -3,-0.2 3,-1.7 -0.415 71.5 151.5-133.5 55.9 14.0 -15.2 32.4 109 111 A P H 3> + 0 0 47 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.794 63.4 74.7 -61.3 -28.8 15.8 -12.8 30.0 110 112 A E H 34 S+ 0 0 125 1,-0.2 611,-0.1 2,-0.1 -5,-0.0 0.673 119.3 14.6 -59.3 -18.1 19.0 -15.0 29.9 111 113 A T H <4 S+ 0 0 82 -3,-1.7 -1,-0.2 -6,-0.2 610,-0.1 0.554 135.1 39.0-126.3 -23.2 17.0 -17.4 27.7 112 114 A L H < S+ 0 0 39 -4,-2.3 -2,-0.1 -7,-0.3 -7,-0.1 0.656 80.5 104.0-108.1 -18.3 13.9 -15.6 26.5 113 115 A L S < S- 0 0 4 -4,-1.6 5,-0.1 -5,-0.3 -11,-0.0 -0.531 77.3-118.0 -72.3 112.6 14.9 -12.0 25.7 114 116 A P >> - 0 0 8 0, 0.0 3,-1.8 0, 0.0 4,-0.8 -0.262 24.5-120.0 -49.2 133.1 15.2 -11.5 22.0 115 117 A K H 3> S+ 0 0 64 603,-3.0 4,-2.6 1,-0.3 3,-0.5 0.764 107.2 68.2 -48.0 -35.5 18.8 -10.7 21.2 116 118 A Q H 3> S+ 0 0 4 1,-0.2 4,-3.7 2,-0.2 -1,-0.3 0.829 93.7 57.8 -58.4 -33.8 17.9 -7.3 19.6 117 119 A F H <>>S+ 0 0 1 -3,-1.8 5,-2.3 2,-0.2 4,-0.5 0.899 109.7 44.7 -63.8 -39.8 16.9 -5.9 23.0 118 120 A N H ><5S+ 0 0 91 -4,-0.8 3,-0.8 -3,-0.5 -2,-0.2 0.948 115.4 48.7 -66.5 -46.5 20.3 -6.7 24.3 119 121 A T H 3<5S+ 0 0 80 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.927 115.3 41.3 -60.0 -49.6 21.8 -5.2 21.2 120 122 A F H 3<5S- 0 0 51 -4,-3.7 -1,-0.2 -5,-0.1 -2,-0.2 0.427 114.4-116.8 -84.1 1.2 19.8 -2.0 21.2 121 123 A G T <<5S+ 0 0 51 -3,-0.8 2,-0.3 -4,-0.5 -3,-0.2 0.817 74.1 79.9 76.8 35.4 20.2 -1.6 25.0 122 124 A F < - 0 0 32 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.950 62.5-119.9-156.4 178.1 16.7 -1.9 26.5 123 125 A T - 0 0 76 -2,-0.3 2,-0.1 -3,-0.1 -17,-0.0 -0.892 32.4 -99.2-127.0 155.6 14.0 -4.2 27.6 124 126 A P - 0 0 2 0, 0.0 2,-0.2 0, 0.0 -85,-0.0 -0.427 34.5-156.7 -75.8 149.1 10.3 -4.6 26.6 125 127 A K - 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