==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-JUN-99 1CP9 . COMPND 2 MOLECULE: PENICILLIN AMIDOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PROVIDENCIA RETTGERI; . AUTHOR M.A.MCDONOUGH,H.E.KLEI,J.A.KELLY . 750 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27378.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 486 64.8 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 . 131 17.5 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 . 1 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 . 40 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.1 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 5 1 1 0 2 1 4 2 0 1 0 1 0 0 0 0 1 0 0 1 0 0 0 1 1 0 0 RESIDUES PER ALPHA HELIX . 4 1 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 . 7 2 5 3 3 2 3 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 1 0 1 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 1 A X 0 0 152 0, 0.0 750,-2.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 150.1 17.5 5.9 12.3 2 2 A S E -A 750 0A 61 748,-0.3 2,-0.3 749,-0.0 748,-0.2 -0.891 360.0-138.5-147.7 173.1 14.3 8.0 12.0 3 3 A T E -A 749 0A 31 746,-2.0 746,-3.2 -2,-0.3 2,-0.5 -0.969 19.6-127.8-135.2 153.0 12.3 10.8 13.7 4 4 A Q E -A 748 0A 98 -2,-0.3 2,-0.4 744,-0.2 16,-0.3 -0.931 19.5-172.8-112.0 126.6 8.5 11.1 14.0 5 5 A I E -A 747 0A 0 742,-2.7 742,-3.6 -2,-0.5 2,-0.5 -0.906 7.9-157.2-112.0 136.8 6.6 14.3 13.0 6 6 A K E -AB 746 18A 61 12,-2.2 12,-2.1 -2,-0.4 2,-0.6 -0.962 2.9-164.4-118.0 128.4 2.9 14.7 13.8 7 7 A I E -AB 745 17A 1 738,-2.9 738,-1.3 -2,-0.5 2,-0.5 -0.913 8.4-178.0-117.4 105.0 0.7 17.1 11.8 8 8 A E E -AB 744 16A 44 8,-2.2 8,-1.8 -2,-0.6 2,-0.4 -0.894 8.3-160.5-103.5 125.4 -2.6 18.0 13.3 9 9 A R E -AB 743 15A 22 734,-2.6 733,-2.9 -2,-0.5 734,-1.4 -0.881 8.8-147.7-107.3 133.3 -4.9 20.4 11.4 10 10 A D > - 0 0 3 4,-1.9 3,-2.0 -2,-0.4 731,-0.2 -0.039 42.6 -73.0 -85.4-168.8 -7.8 22.3 13.1 11 11 A N T 3 S+ 0 0 62 729,-0.3 730,-0.1 1,-0.3 -1,-0.1 0.754 135.0 46.4 -60.0 -23.7 -11.2 23.3 11.9 12 12 A Y T 3 S- 0 0 49 2,-0.1 689,-0.5 728,-0.1 -1,-0.3 0.341 120.9-108.8 -99.4 10.5 -9.8 26.1 9.7 13 13 A G < + 0 0 0 -3,-2.0 -2,-0.1 1,-0.3 701,-0.1 0.579 63.2 159.5 75.9 13.3 -7.2 23.6 8.4 14 14 A V - 0 0 5 1,-0.1 -4,-1.9 219,-0.1 2,-0.3 -0.526 37.6-127.6 -70.4 127.0 -4.3 25.3 10.3 15 15 A P E -B 9 0A 0 0, 0.0 219,-1.6 0, 0.0 2,-0.5 -0.604 19.0-166.3 -82.8 132.9 -1.3 22.9 10.7 16 16 A H E -Bc 8 234A 0 -8,-1.8 -8,-2.2 -2,-0.3 2,-0.4 -0.993 14.8-149.7-120.6 115.6 0.2 22.3 14.2 17 17 A I E -Bc 7 235A 0 217,-3.1 219,-2.9 -2,-0.5 2,-0.5 -0.752 12.1-170.2 -94.2 129.9 3.6 20.7 14.0 18 18 A Y E +Bc 6 236A 58 -12,-2.1 -12,-2.2 -2,-0.4 2,-0.3 -0.989 24.7 140.4-121.2 118.0 4.9 18.4 16.7 19 19 A A - 0 0 4 217,-1.5 219,-0.2 -2,-0.5 -14,-0.1 -0.967 46.9-137.2-151.5 162.7 8.6 17.3 16.5 20 20 A N S S+ 0 0 146 -2,-0.3 2,-0.3 -16,-0.3 218,-0.1 0.445 85.1 40.6-105.5 -3.1 11.5 16.7 18.9 21 21 A D S > S- 0 0 40 1,-0.1 4,-2.6 216,-0.1 5,-0.1 -0.975 82.1-113.2-144.1 155.9 14.3 18.3 17.0 22 22 A T H > S+ 0 0 15 -2,-0.3 4,-2.4 1,-0.2 5,-0.3 0.903 113.8 51.3 -54.6 -52.6 14.7 21.4 14.8 23 23 A Y H > S+ 0 0 30 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.920 114.7 44.0 -56.4 -41.1 15.3 19.7 11.5 24 24 A S H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.916 110.1 56.1 -69.2 -41.8 12.1 17.6 12.1 25 25 A L H X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.932 114.2 37.8 -55.6 -50.3 10.0 20.5 13.3 26 26 A F H X S+ 0 0 0 -4,-2.4 4,-3.3 2,-0.2 -1,-0.2 0.780 109.1 61.5 -77.1 -25.6 10.6 22.6 10.2 27 27 A Y H X S+ 0 0 33 -4,-1.7 4,-2.0 -5,-0.3 -1,-0.2 0.915 107.4 46.4 -63.7 -42.9 10.5 19.6 7.9 28 28 A G H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.886 112.0 51.7 -65.1 -37.6 6.8 19.1 9.1 29 29 A Y H X S+ 0 0 0 -4,-1.4 4,-1.8 1,-0.2 -2,-0.2 0.945 110.7 47.0 -63.9 -51.9 6.2 22.9 8.6 30 30 A G H X S+ 0 0 0 -4,-3.3 4,-1.7 1,-0.2 -1,-0.2 0.853 111.1 53.2 -59.0 -36.0 7.5 22.8 5.1 31 31 A Y H X S+ 0 0 13 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.883 107.8 48.7 -64.9 -45.3 5.4 19.7 4.3 32 32 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.859 110.8 53.0 -63.7 -34.5 2.2 21.3 5.5 33 33 A V H X S+ 0 0 0 -4,-1.8 4,-3.2 1,-0.2 -2,-0.2 0.857 106.8 50.6 -68.5 -39.7 3.0 24.4 3.4 34 34 A A H X S+ 0 0 1 -4,-1.7 4,-0.6 2,-0.2 -1,-0.2 0.770 112.1 49.4 -68.9 -28.9 3.5 22.3 0.2 35 35 A Q H < S+ 0 0 30 -4,-1.3 3,-0.3 -5,-0.1 -2,-0.2 0.974 121.8 32.3 -72.5 -51.7 0.2 20.7 1.0 36 36 A D H < S+ 0 0 12 -4,-2.7 667,-3.1 1,-0.2 668,-0.3 0.761 134.9 12.6 -73.6 -38.2 -1.6 24.1 1.4 37 37 A R H X + 0 0 5 -4,-3.2 4,-3.0 665,-0.2 5,-0.3 -0.022 68.4 141.4-140.4 39.5 0.1 26.5 -0.9 38 38 A L H X S+ 0 0 3 -4,-0.6 4,-3.1 -3,-0.3 5,-0.2 0.870 79.4 42.6 -54.3 -50.2 2.3 24.8 -3.3 39 39 A F H > S+ 0 0 7 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.920 114.4 52.4 -64.0 -41.2 1.6 27.0 -6.4 40 40 A Q H > S+ 0 0 5 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.968 114.4 43.0 -57.8 -50.1 1.7 30.2 -4.3 41 41 A M H X S+ 0 0 1 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.905 110.2 55.1 -63.8 -41.3 5.1 29.1 -3.0 42 42 A E H X S+ 0 0 1 -4,-3.1 4,-1.8 -5,-0.3 -1,-0.2 0.899 112.7 42.8 -59.8 -37.1 6.4 28.0 -6.3 43 43 A M H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.796 108.9 57.6 -79.2 -29.0 5.7 31.5 -7.9 44 44 A A H X S+ 0 0 1 -4,-1.9 4,-2.5 -5,-0.3 -2,-0.2 0.894 108.3 49.2 -65.4 -38.5 7.0 33.3 -4.8 45 45 A K H X S+ 0 0 25 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.921 112.4 45.3 -66.3 -46.1 10.3 31.4 -5.5 46 46 A R H X>S+ 0 0 22 -4,-1.8 5,-1.9 -5,-0.2 4,-0.7 0.787 114.0 52.0 -66.7 -28.6 10.3 32.4 -9.1 47 47 A S H <5S+ 0 0 1 -4,-1.7 -2,-0.2 3,-0.2 -1,-0.2 0.899 112.3 42.8 -71.8 -45.0 9.4 36.0 -8.0 48 48 A T H <5S+ 0 0 3 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.557 124.3 37.6 -78.6 -9.6 12.3 36.3 -5.5 49 49 A Q H <5S- 0 0 26 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.435 106.5-120.4-121.3 -2.0 14.8 34.7 -7.9 50 50 A G T <5S+ 0 0 0 -4,-0.7 -3,-0.2 -3,-0.2 -4,-0.1 0.926 72.0 123.8 62.0 57.2 13.7 36.1 -11.2 51 51 A T < + 0 0 34 -5,-1.9 4,-0.4 -6,-0.1 -4,-0.1 -0.131 31.8 113.2-133.3 29.0 12.8 33.0 -13.2 52 52 A V S >> S+ 0 0 0 -6,-0.5 4,-2.4 8,-0.2 3,-1.0 0.835 70.6 60.2 -71.2 -38.4 9.2 33.9 -14.1 53 53 A S H 3> S+ 0 0 0 7,-0.3 254,-3.1 1,-0.3 4,-1.9 0.745 89.2 75.0 -60.3 -28.8 9.9 34.2 -17.8 54 54 A E H 34 S+ 0 0 72 252,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.917 116.2 16.0 -50.8 -42.6 10.9 30.6 -17.7 55 55 A V H <4 S+ 0 0 11 -3,-1.0 -2,-0.2 -4,-0.4 -1,-0.2 0.663 135.3 40.5-105.6 -21.5 7.2 29.6 -17.5 56 56 A F H < S- 0 0 40 -4,-2.4 3,-0.4 1,-0.2 -3,-0.2 0.384 97.9-131.3-112.2 -0.1 5.4 32.8 -18.6 57 57 A G >< - 0 0 9 -4,-1.9 3,-2.0 -5,-0.2 -1,-0.2 -0.132 49.0 -24.9 86.1-177.5 7.4 34.2 -21.5 58 58 A K G > S+ 0 0 119 249,-0.5 3,-2.3 1,-0.3 4,-0.4 0.676 113.5 76.1 -45.9 -35.3 8.9 37.5 -22.7 59 59 A D G 3 S+ 0 0 137 -3,-0.4 4,-0.3 1,-0.3 -1,-0.3 0.766 98.8 49.4 -54.2 -24.5 6.6 39.8 -20.8 60 60 A Y G <> S+ 0 0 49 -3,-2.0 4,-2.8 1,-0.1 -7,-0.3 0.377 79.2 98.8 -98.8 4.2 8.6 38.9 -17.7 61 61 A I H <> S+ 0 0 29 -3,-2.3 4,-2.6 1,-0.2 5,-0.3 0.969 86.5 45.1 -56.5 -57.6 12.2 39.5 -19.0 62 62 A S H > S+ 0 0 91 -4,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.894 112.1 53.3 -52.0 -48.8 12.6 42.9 -17.5 63 63 A F H > S+ 0 0 23 -4,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.955 111.5 45.6 -52.3 -50.5 11.1 41.7 -14.2 64 64 A D H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.905 112.8 48.2 -61.0 -47.1 13.6 38.8 -14.1 65 65 A K H X S+ 0 0 74 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.923 113.8 50.4 -56.3 -46.7 16.7 40.9 -15.0 66 66 A E H X S+ 0 0 106 -4,-2.7 4,-0.6 -5,-0.3 -2,-0.2 0.907 111.0 46.2 -59.1 -50.0 15.5 43.4 -12.4 67 67 A I H >< S+ 0 0 13 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.964 116.3 44.0 -60.9 -53.5 15.1 40.9 -9.6 68 68 A R H >< S+ 0 0 19 -4,-2.8 3,-1.0 1,-0.2 -1,-0.2 0.807 108.1 60.5 -61.7 -32.1 18.5 39.2 -10.2 69 69 A N H 3< S+ 0 0 49 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.608 99.5 58.7 -69.8 -13.6 20.2 42.5 -10.6 70 70 A N T << S+ 0 0 32 -3,-1.4 2,-0.3 -4,-0.6 -1,-0.2 0.207 104.4 44.1-104.5 7.9 19.3 43.5 -7.1 71 71 A Y < - 0 0 16 -3,-1.0 3,-0.1 -4,-0.1 251,-0.0 -0.960 67.2-134.2-148.0 161.1 20.9 40.7 -5.1 72 72 A W >> - 0 0 22 -2,-0.3 4,-1.1 1,-0.1 3,-1.0 -0.908 12.4-163.8-120.6 97.5 24.1 38.9 -4.9 73 73 A P H 3> S+ 0 0 16 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.867 86.5 65.0 -47.7 -40.3 23.5 35.1 -4.6 74 74 A D H 3> S+ 0 0 75 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.883 100.7 50.7 -51.3 -44.1 27.1 34.4 -3.6 75 75 A S H <> S+ 0 0 17 -3,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.906 111.0 47.7 -60.8 -47.5 26.5 36.4 -0.4 76 76 A I H X S+ 0 0 2 -4,-1.1 4,-2.3 -3,-0.2 5,-0.2 0.951 111.1 48.9 -60.4 -55.5 23.3 34.5 0.5 77 77 A H H X S+ 0 0 88 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.928 114.3 48.5 -53.2 -44.8 24.8 31.0 -0.0 78 78 A K H X S+ 0 0 105 -4,-2.3 4,-1.3 -5,-0.3 -1,-0.2 0.892 108.0 51.9 -63.8 -41.2 27.8 32.0 2.1 79 79 A Q H X S+ 0 0 11 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.885 109.4 51.4 -63.3 -38.3 25.7 33.4 5.0 80 80 A I H >< S+ 0 0 11 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.875 108.3 51.0 -62.7 -41.6 23.8 30.2 5.1 81 81 A N H 3< S+ 0 0 115 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.724 109.6 52.9 -69.3 -23.4 27.0 28.2 5.3 82 82 A Q H 3< S+ 0 0 148 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.674 86.7 102.8 -86.0 -18.9 28.1 30.4 8.1 83 83 A L S << S- 0 0 11 -4,-0.9 5,-0.1 -3,-0.5 -3,-0.0 -0.161 86.8 -94.5 -61.2 155.1 24.9 29.9 10.2 84 84 A P > - 0 0 73 0, 0.0 4,-1.6 0, 0.0 3,-0.5 -0.418 40.3-109.3 -66.0 158.9 25.1 27.6 13.1 85 85 A S H > S+ 0 0 86 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.864 117.5 56.2 -55.9 -41.3 24.0 24.0 12.2 86 86 A Q H > S+ 0 0 70 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.891 110.9 45.8 -59.3 -37.8 20.8 24.1 14.2 87 87 A E H > S+ 0 0 13 -3,-0.5 4,-1.1 1,-0.2 -1,-0.2 0.759 109.2 55.0 -76.5 -25.2 19.8 27.2 12.2 88 88 A Q H X S+ 0 0 58 -4,-1.6 4,-2.7 1,-0.2 5,-0.2 0.829 102.2 57.6 -75.8 -29.7 20.8 25.5 9.1 89 89 A D H X S+ 0 0 57 -4,-2.1 4,-2.2 2,-0.2 5,-0.3 0.747 97.7 62.7 -68.1 -27.6 18.5 22.7 9.9 90 90 A I H X S+ 0 0 0 -4,-0.7 4,-1.7 2,-0.2 -1,-0.2 0.960 113.7 32.4 -60.7 -51.3 15.7 25.2 10.0 91 91 A L H X S+ 0 0 0 -4,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.900 122.4 46.3 -72.8 -46.3 16.1 26.0 6.3 92 92 A R H X S+ 0 0 79 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.932 113.1 51.7 -63.1 -44.4 17.3 22.6 5.1 93 93 A G H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.915 111.5 45.8 -57.8 -46.6 14.4 20.9 7.1 94 94 A Y H X S+ 0 0 3 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.920 112.4 51.7 -63.8 -45.2 11.8 23.2 5.6 95 95 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 32,-0.3 0.927 112.6 45.2 -58.4 -47.6 13.3 22.6 2.1 96 96 A D H X S+ 0 0 41 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.888 109.2 54.9 -66.8 -39.9 13.2 18.8 2.6 97 97 A G H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.908 108.4 49.9 -58.0 -43.7 9.6 18.8 4.0 98 98 A M H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.919 112.5 47.4 -59.4 -48.4 8.5 20.7 0.9 99 99 A N H X S+ 0 0 30 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.859 105.3 58.7 -63.2 -35.5 10.2 18.2 -1.3 100 100 A A H X S+ 0 0 19 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.893 109.1 44.7 -62.8 -41.6 8.7 15.2 0.6 101 101 A W H X S+ 0 0 33 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.870 107.7 56.6 -71.6 -34.2 5.2 16.4 -0.2 102 102 A I H X S+ 0 0 11 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.876 103.3 58.5 -62.6 -29.1 6.2 17.1 -3.8 103 103 A K H X S+ 0 0 148 -4,-1.7 4,-0.9 1,-0.2 -1,-0.2 0.934 104.8 47.8 -64.5 -47.8 7.2 13.4 -3.8 104 104 A Q H X S+ 0 0 79 -4,-1.3 4,-2.0 1,-0.2 3,-0.4 0.869 108.1 55.5 -60.6 -40.2 3.6 12.4 -2.8 105 105 A I H < S+ 0 0 1 -4,-2.2 7,-0.3 1,-0.2 -1,-0.2 0.934 106.6 50.0 -60.0 -43.4 2.1 14.5 -5.5 106 106 A N H < S+ 0 0 95 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.721 104.4 61.2 -68.8 -15.5 4.3 12.7 -8.0 107 107 A T H < S+ 0 0 98 -4,-0.9 -2,-0.2 -3,-0.4 -1,-0.2 0.983 128.6 5.6 -71.3 -62.5 3.0 9.5 -6.6 108 108 A K S >X S+ 0 0 106 -4,-2.0 4,-2.3 1,-0.1 3,-1.6 -0.579 72.3 163.4-126.2 74.4 -0.7 10.3 -7.4 109 109 A P H 3> + 0 0 46 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.647 66.9 74.2 -63.2 -17.3 -0.8 13.5 -9.5 110 110 A D H 34 S+ 0 0 124 1,-0.2 598,-0.2 2,-0.1 -4,-0.1 0.813 116.6 19.4 -69.7 -24.1 -4.3 13.0 -10.8 111 111 A D H <4 S+ 0 0 61 -3,-1.6 597,-0.2 -6,-0.2 -1,-0.2 0.775 131.2 41.0-110.9 -34.0 -5.5 13.9 -7.4 112 112 A L H < S+ 0 0 34 -4,-2.3 -2,-0.1 -7,-0.3 -7,-0.1 0.578 81.4 104.5 -95.2 -13.7 -2.7 15.8 -5.7 113 113 A M S < S- 0 0 11 -4,-1.2 5,-0.1 -5,-0.2 -11,-0.0 -0.592 76.9-119.4 -74.9 116.4 -1.3 18.1 -8.4 114 114 A P >> - 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