==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-JUL-09 3I76 . COMPND 2 MOLECULE: PUTATIVE HAD-HYDROLASE YFNB; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR J.B.BONANNO,M.DICKEY,K.T.BAIN,B.K.TANG,R.ROMERO,J.M.SAUDER, . 680 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32838.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 510 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 0 0.0 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 . 42 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 249 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 4.4 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 0 3 0 1 3 3 3 2 0 3 1 2 0 0 3 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 3 12 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 3 0 0 3 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 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 2 A K 0 0 127 0, 0.0 2,-0.4 0, 0.0 173,-0.1 0.000 360.0 360.0 360.0 175.4 -16.1 -2.6 -36.8 2 3 A R - 0 0 72 0, 0.0 220,-0.1 0, 0.0 221,-0.0 -0.859 360.0-158.5-130.4 96.2 -17.5 1.0 -37.0 3 4 A Y - 0 0 11 -2,-0.4 172,-0.2 1,-0.1 3,-0.1 -0.322 11.2-176.0 -62.5 149.7 -15.9 3.3 -39.7 4 5 A R + 0 0 126 170,-3.4 112,-2.5 1,-0.3 2,-0.4 0.603 68.0 49.2-116.3 -23.7 -16.2 7.1 -39.2 5 6 A T E -ab 116 175A 9 169,-2.3 171,-2.2 110,-0.2 2,-0.5 -0.982 61.0-167.6-128.8 125.8 -14.7 8.4 -42.5 6 7 A L E -ab 117 176A 0 110,-2.8 112,-2.7 -2,-0.4 2,-0.6 -0.965 5.5-160.1-119.8 124.4 -15.5 7.2 -46.1 7 8 A L E -ab 118 177A 0 169,-2.8 171,-2.9 -2,-0.5 2,-0.5 -0.940 15.4-164.6-104.9 118.1 -13.4 8.2 -49.1 8 9 A F E -ab 119 178A 0 110,-2.9 112,-2.3 -2,-0.6 171,-0.2 -0.937 15.1-142.2-109.0 127.4 -15.2 7.9 -52.4 9 10 A D - 0 0 11 169,-2.5 5,-0.2 -2,-0.5 112,-0.2 -0.404 16.2-148.9 -59.3 155.4 -13.8 7.8 -55.8 10 11 A V >>> + 0 0 0 110,-0.4 5,-2.3 3,-0.2 4,-2.1 0.891 68.0 69.1 -93.3 -65.8 -16.0 9.7 -58.3 11 12 A D B 345S-f 15 0B 30 1,-0.3 169,-0.3 2,-0.2 5,-0.2 -0.449 121.5 -7.9 -81.8 123.4 -15.8 8.2 -61.8 12 13 A D T 345S+ 0 0 27 3,-2.9 -1,-0.3 -2,-0.3 4,-0.1 0.530 128.4 73.1 62.2 17.8 -17.4 4.7 -62.2 13 14 A T T <45S- 0 0 0 -3,-1.6 -2,-0.2 2,-0.4 -3,-0.2 0.696 124.9 -11.4-112.0 -57.7 -17.9 4.6 -58.4 14 15 A I T <5S+ 0 0 0 -4,-2.1 87,-2.1 -5,-0.2 2,-0.4 0.634 133.0 55.1-115.9 -23.1 -20.7 7.1 -57.8 15 16 A L B + 0 0 50 83,-2.7 4,-1.8 -2,-0.4 83,-0.2 -0.609 39.9 167.3 -85.1 82.3 -21.5 6.8 -64.4 17 18 A F H > S+ 0 0 28 -2,-1.6 4,-3.2 1,-0.2 5,-0.3 0.853 70.2 63.4 -69.8 -33.6 -18.4 8.0 -66.2 18 19 A Q H > S+ 0 0 85 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.918 106.4 45.6 -55.4 -44.0 -18.7 5.3 -68.9 19 20 A A H > S+ 0 0 29 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.927 113.5 48.2 -64.3 -48.9 -22.0 6.9 -70.0 20 21 A A H X S+ 0 0 2 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.921 113.9 47.4 -56.1 -47.6 -20.7 10.5 -69.9 21 22 A E H X S+ 0 0 19 -4,-3.2 4,-2.7 2,-0.2 5,-0.3 0.908 107.9 55.4 -62.8 -46.9 -17.6 9.4 -71.9 22 23 A A H X S+ 0 0 57 -4,-2.5 4,-1.6 -5,-0.3 -2,-0.2 0.940 113.9 40.8 -53.5 -48.5 -19.8 7.6 -74.5 23 24 A L H X S+ 0 0 58 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.931 113.9 51.7 -66.0 -44.2 -21.8 10.7 -75.2 24 25 A A H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.895 108.8 51.3 -66.1 -37.6 -18.9 13.1 -75.1 25 26 A L H X S+ 0 0 7 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.910 110.9 48.4 -62.5 -45.6 -16.9 11.0 -77.6 26 27 A R H X S+ 0 0 124 -4,-1.6 4,-2.6 -5,-0.3 5,-0.2 0.949 113.1 47.2 -59.4 -48.8 -19.8 10.9 -80.0 27 28 A L H X S+ 0 0 47 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.882 111.6 51.8 -63.4 -35.0 -20.3 14.7 -79.7 28 29 A L H X S+ 0 0 3 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.954 112.7 44.3 -63.7 -47.3 -16.6 15.3 -80.2 29 30 A F H X>S+ 0 0 7 -4,-2.7 5,-2.3 2,-0.2 4,-0.6 0.900 111.9 51.9 -70.8 -36.1 -16.5 13.2 -83.3 30 31 A E H ><5S+ 0 0 102 -4,-2.6 3,-1.0 2,-0.2 -1,-0.2 0.921 109.7 52.5 -56.0 -48.1 -19.7 14.8 -84.7 31 32 A D H 3<5S+ 0 0 62 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.882 113.7 42.1 -53.0 -42.8 -18.1 18.2 -84.0 32 33 A Q H 3<5S- 0 0 65 -4,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.459 106.9-125.4 -87.6 -2.2 -15.1 17.2 -86.0 33 34 A N T <<5 + 0 0 146 -3,-1.0 -3,-0.2 -4,-0.6 -4,-0.1 0.877 64.1 139.3 54.6 39.8 -17.0 15.5 -88.8 34 35 A I < - 0 0 23 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.959 57.8-118.8-112.7 121.9 -15.0 12.3 -88.2 35 36 A P - 0 0 92 0, 0.0 2,-0.6 0, 0.0 -5,-0.0 -0.346 24.9-148.9 -58.6 133.2 -16.7 8.9 -88.4 36 37 A L - 0 0 45 -10,-0.0 2,-0.2 4,-0.0 -6,-0.0 -0.941 16.1-167.3-110.2 113.4 -16.4 7.1 -85.0 37 38 A T > - 0 0 64 -2,-0.6 4,-2.2 1,-0.1 5,-0.1 -0.532 34.6-113.0 -98.8 164.1 -16.3 3.3 -85.3 38 39 A N H > S+ 0 0 132 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.912 120.4 53.5 -63.9 -36.3 -16.7 0.7 -82.6 39 40 A D H > S+ 0 0 82 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.925 106.5 52.1 -61.9 -42.0 -13.0 -0.3 -83.3 40 41 A M H > S+ 0 0 7 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.894 108.3 51.2 -63.4 -42.6 -12.0 3.4 -82.7 41 42 A K H X S+ 0 0 90 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.917 109.8 49.7 -56.7 -46.0 -13.9 3.5 -79.4 42 43 A A H X S+ 0 0 43 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.888 112.3 47.0 -60.7 -43.0 -12.1 0.3 -78.2 43 44 A Q H X S+ 0 0 59 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.916 109.2 55.5 -68.7 -40.1 -8.7 1.7 -79.2 44 45 A Y H X S+ 0 0 1 -4,-2.8 4,-3.5 1,-0.2 5,-0.3 0.939 107.3 49.6 -52.3 -46.2 -9.5 5.0 -77.4 45 46 A K H X S+ 0 0 80 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.916 112.1 46.2 -68.9 -37.3 -10.2 3.2 -74.3 46 47 A T H X S+ 0 0 85 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.934 117.0 45.5 -67.3 -42.0 -6.9 1.2 -74.4 47 48 A I H X S+ 0 0 28 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.946 115.2 46.2 -64.9 -48.5 -5.0 4.4 -75.2 48 49 A N H X S+ 0 0 13 -4,-3.5 4,-2.7 -5,-0.3 5,-0.2 0.958 113.6 47.8 -62.1 -49.7 -6.7 6.4 -72.6 49 50 A Q H X S+ 0 0 108 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.846 111.8 51.5 -56.6 -39.0 -6.3 3.7 -69.9 50 51 A G H X S+ 0 0 42 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.883 110.7 48.1 -66.4 -42.6 -2.6 3.3 -70.8 51 52 A L H X S+ 0 0 24 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.939 112.0 48.0 -63.5 -48.5 -2.1 7.1 -70.5 52 53 A W H X S+ 0 0 46 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.908 110.7 52.2 -59.3 -43.0 -3.8 7.3 -67.1 53 54 A R H X S+ 0 0 33 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.911 108.0 51.4 -59.2 -42.7 -1.8 4.3 -65.9 54 55 A A H <>S+ 0 0 22 -4,-2.3 5,-2.8 2,-0.2 6,-0.7 0.877 111.6 47.6 -59.2 -44.2 1.5 6.1 -67.0 55 56 A F H ><5S+ 0 0 7 -4,-2.3 3,-2.0 4,-0.2 -2,-0.2 0.946 109.5 52.9 -59.7 -50.4 0.3 9.2 -65.0 56 57 A E H 3<5S+ 0 0 29 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.811 109.5 49.7 -54.0 -35.9 -0.5 7.0 -62.0 57 58 A E T 3<5S- 0 0 149 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.348 118.8-113.1 -87.1 0.4 3.0 5.5 -62.2 58 59 A G T < 5S+ 0 0 44 -3,-2.0 -3,-0.2 2,-0.2 -2,-0.1 0.672 86.3 113.4 79.6 22.0 4.6 9.0 -62.4 59 60 A K S - 0 0 89 -2,-0.3 4,-1.9 1,-0.1 -6,-0.1 -0.402 29.7-118.9 -76.1 161.1 1.7 14.6 -66.4 62 63 A R H > S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.877 114.6 60.3 -68.5 -32.8 -2.1 14.7 -66.4 63 64 A D H > S+ 0 0 105 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.920 104.5 48.9 -58.8 -43.7 -1.9 17.4 -69.0 64 65 A E H > S+ 0 0 91 2,-0.2 4,-1.5 1,-0.2 5,-0.3 0.929 108.2 54.6 -62.5 -43.8 -0.1 15.1 -71.3 65 66 A V H >X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 3,-0.6 0.970 116.9 35.5 -50.7 -57.5 -2.7 12.3 -70.7 66 67 A V H 3< S+ 0 0 8 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.868 118.7 49.2 -73.4 -33.9 -5.6 14.6 -71.7 67 68 A N H 3< S+ 0 0 54 -4,-3.0 -1,-0.2 -5,-0.3 4,-0.2 0.544 118.4 36.2 -86.7 -4.1 -3.9 16.6 -74.4 68 69 A T H S+ 0 0 0 -4,-0.5 4,-2.4 13,-0.2 -1,-0.2 0.861 115.8 48.9 -75.9 -36.5 -7.1 12.2 -79.1 71 72 A S H > S+ 0 0 31 2,-0.2 4,-1.7 -4,-0.2 -1,-0.2 0.912 113.7 48.6 -65.7 -42.9 -4.1 13.1 -81.3 72 73 A A H X S+ 0 0 42 -4,-3.2 4,-1.1 1,-0.2 -2,-0.2 0.916 113.3 47.0 -62.4 -41.8 -2.6 9.6 -80.6 73 74 A L H >< S+ 0 0 0 -4,-2.3 3,-0.6 -5,-0.3 4,-0.3 0.957 113.4 46.9 -61.8 -53.1 -5.8 7.8 -81.4 74 75 A L H ><>S+ 0 0 5 -4,-2.4 5,-2.6 1,-0.2 3,-1.3 0.791 101.0 66.0 -67.5 -27.7 -6.5 9.7 -84.6 75 76 A K H ><5S+ 0 0 148 -4,-1.7 3,-1.4 1,-0.3 -1,-0.2 0.920 97.2 55.9 -58.0 -43.2 -2.9 9.2 -85.8 76 77 A E T <<5S+ 0 0 121 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.595 108.8 48.4 -62.7 -14.0 -3.7 5.4 -86.0 77 78 A Y T < 5S- 0 0 68 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.249 124.5 -98.0-114.4 10.3 -6.6 6.2 -88.3 78 79 A G T < 5S+ 0 0 70 -3,-1.4 2,-0.4 1,-0.3 -3,-0.2 0.592 84.1 120.4 92.1 11.5 -4.8 8.5 -90.7 79 80 A Y < - 0 0 91 -5,-2.6 2,-0.5 -8,-0.1 -1,-0.3 -0.895 52.0-146.9-107.5 136.8 -5.8 11.9 -89.3 80 81 A E + 0 0 188 -2,-0.4 2,-0.3 -3,-0.1 -8,-0.1 -0.906 32.3 178.0 -98.7 129.7 -3.4 14.5 -87.9 81 82 A A - 0 0 36 -2,-0.5 2,-1.0 -10,-0.2 3,-0.1 -0.944 40.4-116.1-134.5 153.0 -5.0 16.3 -85.1 82 83 A D > - 0 0 100 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 -0.814 29.9-163.2 -86.7 103.2 -4.3 19.0 -82.5 83 84 A G H > S+ 0 0 5 -2,-1.0 4,-2.3 1,-0.2 -13,-0.2 0.844 84.8 50.5 -54.3 -47.4 -4.6 17.0 -79.3 84 85 A A H > S+ 0 0 48 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.878 109.9 48.7 -60.1 -46.1 -5.0 20.0 -77.1 85 86 A L H > S+ 0 0 70 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.890 112.4 49.8 -62.0 -39.4 -7.8 21.6 -79.1 86 87 A L H X S+ 0 0 6 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.908 108.7 52.1 -70.3 -40.8 -9.7 18.3 -79.2 87 88 A E H X S+ 0 0 9 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.881 106.5 54.0 -60.1 -39.2 -9.4 17.8 -75.5 88 89 A Q H X S+ 0 0 116 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.928 113.2 42.9 -60.0 -45.2 -10.8 21.3 -74.9 89 90 A K H X S+ 0 0 41 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.948 115.4 49.2 -64.9 -46.5 -13.9 20.4 -77.1 90 91 A Y H X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.2 -2,-0.2 0.851 108.2 53.3 -60.1 -42.7 -14.2 17.0 -75.4 91 92 A R H X S+ 0 0 36 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.890 104.9 54.5 -64.1 -39.8 -14.0 18.4 -72.0 92 93 A R H < S+ 0 0 124 -4,-1.6 4,-0.3 1,-0.2 -1,-0.2 0.890 114.3 41.4 -63.6 -39.4 -16.8 20.9 -72.7 93 94 A F H >< S+ 0 0 53 -4,-1.6 3,-1.5 1,-0.2 4,-0.4 0.916 110.3 56.3 -72.5 -43.0 -19.0 17.9 -73.7 94 95 A L H >< S+ 0 0 2 -4,-3.1 3,-1.9 1,-0.3 -2,-0.2 0.882 98.4 62.1 -59.1 -38.3 -17.9 15.6 -70.9 95 96 A E T 3< S+ 0 0 37 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.665 94.3 63.2 -65.7 -15.9 -18.9 18.1 -68.2 96 97 A E T < S+ 0 0 121 -3,-1.5 2,-0.7 -4,-0.3 -1,-0.3 0.632 85.1 87.3 -79.6 -14.6 -22.5 18.0 -69.4 97 98 A G < + 0 0 4 -3,-1.9 -77,-0.1 -4,-0.4 38,-0.1 -0.778 39.8 156.2 -95.3 112.9 -22.8 14.3 -68.4 98 99 A H + 0 0 74 -2,-0.7 -1,-0.1 36,-0.1 -81,-0.1 0.034 16.7 158.4-128.2 29.6 -23.8 13.8 -64.8 99 100 A Q - 0 0 64 -83,-0.2 -83,-2.7 -84,-0.1 2,-0.3 -0.196 33.2-134.2 -53.6 136.1 -25.3 10.3 -65.1 100 101 A L B -G 15 0B 68 -85,-0.3 -85,-0.3 1,-0.1 2,-0.2 -0.668 13.0-110.0 -96.1 149.6 -25.3 8.5 -61.7 101 102 A I > - 0 0 25 -87,-2.1 3,-2.4 -2,-0.3 4,-0.4 -0.500 60.6 -77.3 -66.5 144.3 -24.3 5.0 -60.7 102 103 A D T 3 S- 0 0 134 1,-0.3 113,-0.5 -2,-0.2 114,-0.2 -0.260 115.9 -0.7 -47.9 119.7 -27.4 2.9 -59.8 103 104 A G T 3> S+ 0 0 39 112,-0.1 4,-2.4 -3,-0.1 -1,-0.3 0.450 92.2 126.9 80.8 1.0 -28.5 3.9 -56.3 104 105 A A H <> + 0 0 0 -3,-2.4 4,-2.7 2,-0.2 5,-0.3 0.864 69.0 50.0 -60.5 -44.8 -25.7 6.4 -55.7 105 106 A F H > S+ 0 0 80 -4,-0.4 4,-2.9 2,-0.2 5,-0.2 0.980 113.7 43.9 -64.7 -54.1 -27.9 9.3 -54.7 106 107 A D H > S+ 0 0 102 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.916 115.8 49.3 -52.6 -48.1 -29.9 7.4 -52.2 107 108 A L H X S+ 0 0 1 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.937 113.7 43.3 -58.8 -52.2 -26.8 5.8 -50.7 108 109 A I H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.875 111.6 56.2 -65.7 -37.1 -24.8 8.9 -50.4 109 110 A S H X S+ 0 0 33 -4,-2.9 4,-0.5 -5,-0.3 -1,-0.2 0.901 113.1 40.3 -58.7 -41.9 -27.8 10.7 -48.9 110 111 A N H >X S+ 0 0 72 -4,-2.1 3,-1.3 -5,-0.2 4,-0.5 0.940 113.8 52.1 -75.7 -43.2 -28.2 8.1 -46.2 111 112 A L H >X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.3 3,-1.1 0.801 97.1 66.8 -65.9 -32.4 -24.5 7.7 -45.4 112 113 A Q H 3< S+ 0 0 79 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.813 95.0 59.7 -53.9 -33.0 -23.9 11.4 -45.0 113 114 A Q H << S+ 0 0 156 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.772 120.0 23.9 -69.2 -25.8 -26.2 11.2 -41.9 114 115 A Q H << S+ 0 0 124 -3,-1.1 2,-0.3 -4,-0.5 -2,-0.2 0.551 122.3 39.5-117.8 -13.2 -23.8 8.7 -40.1 115 116 A F S < S- 0 0 18 -4,-2.2 2,-0.6 -109,-0.0 -110,-0.2 -0.904 76.5-111.8-132.9 160.3 -20.3 9.1 -41.6 116 117 A D E -a 5 0A 67 -112,-2.5 -110,-2.8 -2,-0.3 2,-0.4 -0.900 38.5-153.6 -91.1 124.1 -18.0 11.9 -42.8 117 118 A L E +a 6 0A 1 -2,-0.6 25,-2.8 23,-0.4 26,-0.6 -0.815 15.3 179.8-106.7 132.5 -17.7 11.6 -46.6 118 119 A Y E -ac 7 143A 12 -112,-2.7 -110,-2.9 -2,-0.4 2,-0.4 -0.940 23.3-129.6-128.3 148.4 -14.7 12.8 -48.7 119 120 A I E -ac 8 144A 0 24,-1.8 26,-2.4 -2,-0.3 2,-0.4 -0.853 18.6-172.3 -95.2 135.9 -14.0 12.7 -52.4 120 121 A V E + c 0 145A 0 -112,-2.3 -110,-0.4 -2,-0.4 2,-0.3 -0.979 24.3 150.4-126.2 116.0 -10.7 11.3 -53.6 121 122 A T E - 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