==== 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 LYASE 24-JAN-05 1YNO . COMPND 2 MOLECULE: BENZOYLFORMATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR A.K.BERA,M.S.HASSON . 524 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20839.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 361 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 82 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.1 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 . 0 0.0 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 . 1 0.2 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 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.9 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 0 2 3 2 2 0 5 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 4 3 4 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 A 0 0 103 0, 0.0 165,-2.8 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 155.3 -32.1 35.2 8.8 2 3 A S B > -A 165 0A 40 163,-0.3 4,-2.6 1,-0.1 163,-0.2 -0.431 360.0-110.7 -83.3 165.7 -29.9 38.1 9.6 3 4 A V H > S+ 0 0 0 161,-2.5 4,-2.6 158,-0.4 5,-0.2 0.901 120.6 55.6 -58.9 -40.5 -26.2 38.4 8.8 4 5 A H H > S+ 0 0 16 158,-2.5 4,-2.4 160,-0.3 5,-0.2 0.967 110.9 42.0 -56.9 -54.5 -25.7 38.2 12.6 5 6 A G H > S+ 0 0 33 157,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.925 116.3 48.8 -64.9 -38.2 -27.6 35.0 13.1 6 7 A T H X S+ 0 0 11 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.898 111.5 50.1 -66.5 -40.5 -26.1 33.4 10.0 7 8 A T H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.929 110.3 47.4 -66.8 -45.1 -22.6 34.3 11.0 8 9 A Y H X S+ 0 0 4 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.890 111.7 52.5 -64.9 -35.8 -22.9 33.0 14.5 9 10 A E H X S+ 0 0 53 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.932 109.3 49.4 -64.8 -42.4 -24.3 29.7 13.0 10 11 A L H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.935 111.3 49.4 -55.8 -49.9 -21.4 29.5 10.7 11 12 A L H <>S+ 0 0 0 -4,-2.7 5,-2.8 1,-0.2 3,-0.5 0.952 113.8 44.7 -56.7 -50.9 -19.0 30.0 13.6 12 13 A R H ><5S+ 0 0 79 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.913 112.1 52.1 -62.0 -41.7 -20.6 27.4 15.8 13 14 A R H 3<5S+ 0 0 102 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.759 109.4 51.3 -67.9 -24.3 -20.9 24.9 12.8 14 15 A Q T 3<5S- 0 0 46 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.227 126.6-100.7 -96.9 12.5 -17.1 25.4 12.2 15 16 A G T < 5S+ 0 0 44 -3,-1.7 2,-0.5 1,-0.3 -3,-0.2 0.539 76.0 137.8 87.1 7.9 -16.3 24.7 15.9 16 17 A I < + 0 0 8 -5,-2.8 -1,-0.3 -6,-0.2 -2,-0.1 -0.764 7.5 149.6 -91.5 130.1 -15.9 28.2 17.2 17 18 A D + 0 0 64 -2,-0.5 22,-2.2 1,-0.2 2,-0.4 0.291 52.6 68.3-138.4 4.2 -17.4 28.9 20.6 18 19 A T E -b 39 0B 5 20,-0.2 47,-0.7 2,-0.0 2,-0.5 -0.995 55.5-159.6-134.1 135.5 -15.2 31.6 22.2 19 20 A V E -bc 40 65B 0 20,-2.9 22,-3.1 -2,-0.4 2,-0.5 -0.987 6.0-158.8-117.8 119.1 -14.7 35.3 21.3 20 21 A F E +bc 41 66B 2 45,-2.6 47,-2.4 -2,-0.5 2,-0.3 -0.884 38.4 148.0 -90.4 124.4 -11.5 36.9 22.6 21 22 A G E -bc 42 67B 0 20,-2.5 22,-1.6 -2,-0.5 47,-0.2 -0.976 56.1-151.7-156.1 163.1 -12.2 40.7 22.6 22 23 A N - 0 0 34 45,-1.5 47,-0.2 -2,-0.3 22,-0.1 -0.940 48.0-134.8-130.7 115.6 -12.0 44.2 23.7 23 24 A P + 0 0 59 0, 0.0 2,-0.3 0, 0.0 46,-0.1 -0.257 28.8 170.0 -80.3 161.5 -15.3 45.8 22.6 24 25 A G >> - 0 0 16 44,-0.1 3,-1.2 1,-0.0 4,-1.0 -0.931 48.6 -88.7-153.9-178.9 -16.1 49.1 21.0 25 26 A S G >4 S+ 0 0 79 1,-0.3 3,-0.6 -2,-0.3 -1,-0.0 0.872 121.3 55.1 -71.3 -33.5 -19.1 50.8 19.4 26 27 A N G 34 S+ 0 0 2 1,-0.2 71,-0.3 70,-0.2 -1,-0.3 0.666 112.0 48.0 -69.2 -13.3 -18.6 49.5 15.8 27 28 A E G X> S+ 0 0 1 -3,-1.2 4,-2.5 69,-0.2 3,-1.3 0.561 85.1 87.1-101.8 -18.0 -18.7 46.0 17.4 28 29 A L H < S+ 0 0 23 -4,-2.5 3,-0.6 3,-0.1 -3,-0.2 0.671 89.9 100.4 -81.0 -16.6 -21.8 41.5 20.1 32 33 A K T 3< S+ 0 0 67 -4,-2.1 0, 0.0 -5,-0.2 0, 0.0 -0.259 86.1 22.5 -64.9 157.2 -25.4 42.1 20.9 33 34 A D T 3 S- 0 0 128 1,-0.2 -1,-0.2 2,-0.0 3,-0.1 0.907 90.3-164.5 52.8 38.7 -27.7 39.1 21.4 34 35 A F < - 0 0 57 -3,-0.6 -1,-0.2 1,-0.1 -3,-0.1 -0.344 26.3-103.9 -59.0 127.0 -24.5 37.3 22.1 35 36 A P > - 0 0 19 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.273 17.1-132.2 -65.9 144.5 -25.3 33.6 21.8 36 37 A E T 3 S+ 0 0 202 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.712 105.2 57.5 -66.1 -22.3 -25.7 31.7 25.1 37 38 A D T 3 S+ 0 0 84 2,-0.0 -1,-0.3 -19,-0.0 2,-0.3 0.445 96.2 80.5 -88.1 -1.3 -23.5 28.8 23.8 38 39 A F < - 0 0 13 -3,-1.8 2,-0.4 -20,-0.0 -20,-0.2 -0.702 68.9-143.9-101.2 157.3 -20.6 31.2 23.2 39 40 A R E -b 18 0B 99 -22,-2.2 -20,-2.9 -2,-0.3 2,-0.5 -0.948 5.9-150.4-115.8 138.9 -18.1 32.6 25.7 40 41 A Y E -b 19 0B 48 -2,-0.4 2,-0.6 -22,-0.2 -20,-0.2 -0.958 6.1-162.8-108.6 127.2 -16.6 36.1 25.6 41 42 A I E -b 20 0B 4 -22,-3.1 -20,-2.5 -2,-0.5 2,-0.3 -0.933 12.2-156.4-111.7 107.7 -13.2 36.6 27.1 42 43 A L E -b 21 0B 42 -2,-0.6 2,-0.3 -22,-0.2 -20,-0.2 -0.672 12.5-178.2 -83.0 137.7 -12.4 40.2 27.8 43 44 A A - 0 0 0 -22,-1.6 393,-0.1 -2,-0.3 6,-0.1 -0.938 30.2-127.3-130.2 157.7 -9.0 41.6 28.0 44 45 A L S S+ 0 0 67 -2,-0.3 2,-0.3 391,-0.3 392,-0.1 0.539 89.8 24.8 -87.6 -9.1 -8.1 45.3 28.8 45 46 A Q S >> S- 0 0 63 -24,-0.1 4,-2.0 388,-0.1 3,-0.7 -0.981 80.0-117.7-152.2 152.7 -5.8 46.0 25.8 46 47 A E H 3> S+ 0 0 17 -2,-0.3 4,-2.5 1,-0.3 5,-0.2 0.756 110.4 60.5 -74.8 -24.4 -5.6 44.4 22.3 47 48 A A H 3> S+ 0 0 17 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.871 110.6 46.2 -61.4 -34.8 -2.1 43.1 22.6 48 49 A C H <> S+ 0 0 1 -3,-0.7 4,-2.6 2,-0.2 5,-0.3 0.921 109.2 53.2 -71.2 -43.4 -3.5 41.1 25.5 49 50 A V H X S+ 0 0 2 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.954 115.0 40.8 -53.6 -52.4 -6.6 40.0 23.6 50 51 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.915 113.1 53.4 -71.9 -37.1 -4.6 38.6 20.8 51 52 A G H X S+ 0 0 2 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.895 110.5 47.5 -59.7 -43.0 -1.9 37.1 23.0 52 53 A I H X S+ 0 0 2 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.944 113.8 47.2 -60.9 -50.6 -4.6 35.2 25.0 53 54 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.3 -2,-0.2 0.883 111.0 53.4 -57.9 -38.9 -6.3 34.0 21.8 54 55 A D H X S+ 0 0 1 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.954 108.9 46.8 -62.9 -51.0 -2.9 33.0 20.4 55 56 A G H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.923 113.7 50.5 -56.6 -42.2 -2.0 30.9 23.4 56 57 A Y H X S+ 0 0 20 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.932 113.1 44.6 -60.6 -47.9 -5.4 29.3 23.3 57 58 A A H X>S+ 0 0 1 -4,-2.8 4,-1.6 2,-0.2 5,-1.1 0.911 113.7 49.6 -63.0 -45.0 -5.2 28.5 19.6 58 59 A Q H <5S+ 0 0 7 -4,-2.9 -2,-0.2 2,-0.2 -1,-0.2 0.935 117.6 39.2 -62.6 -44.9 -1.6 27.2 19.8 59 60 A A H <5S+ 0 0 2 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.888 119.1 46.6 -74.9 -36.8 -2.4 24.9 22.7 60 61 A S H <5S- 0 0 33 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.650 98.0-136.9 -78.2 -17.0 -5.9 23.9 21.4 61 62 A R T <5S+ 0 0 73 -4,-1.6 -3,-0.2 1,-0.2 -4,-0.1 0.867 71.9 93.4 59.7 44.2 -4.6 23.2 17.9 62 63 A K S > - d 0 96B 32 -2,-0.3 4,-2.7 -47,-0.2 5,-0.5 -0.763 59.1 -80.6 -94.2 107.5 -12.3 47.8 17.7 70 71 A S H >5S- 0 0 4 -2,-0.8 4,-1.7 26,-0.6 5,-0.2 0.118 88.9 -30.5 44.7-146.5 -11.6 49.4 14.3 71 72 A A H >5S+ 0 0 33 2,-0.2 4,-3.0 3,-0.2 -1,-0.2 0.882 136.7 51.6 -74.7 -41.6 -8.2 50.7 13.4 72 73 A A H >5S+ 0 0 69 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.925 113.9 43.9 -67.7 -40.8 -7.0 51.7 16.8 73 74 A G H X5S+ 0 0 1 -4,-2.7 4,-0.8 2,-0.2 -3,-0.2 0.925 115.3 48.4 -67.3 -43.8 -7.8 48.3 18.4 74 75 A T H ><< S+ 0 0 31 -4,-3.0 3,-1.7 1,-0.3 4,-0.3 0.909 103.0 57.0 -57.5 -44.7 -3.3 48.6 15.7 76 77 A N H 3< S+ 0 0 80 -4,-2.3 -1,-0.3 1,-0.3 3,-0.2 0.730 108.9 49.8 -57.6 -23.6 -2.8 48.0 19.3 77 78 A A T S+ 0 0 42 -3,-1.7 4,-1.4 -4,-0.3 -1,-0.2 0.816 80.2 53.9 -73.9 -27.3 -0.1 44.4 15.6 79 80 A G H > S+ 0 0 52 -4,-0.3 4,-1.4 -3,-0.2 -1,-0.3 0.892 109.4 51.0 -66.7 -38.5 2.9 43.4 17.7 80 81 A A H > S+ 0 0 13 1,-0.2 4,-2.4 -4,-0.2 -2,-0.2 0.892 107.1 53.9 -63.0 -37.5 0.9 40.3 18.8 81 82 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.836 98.8 62.6 -67.2 -29.4 0.2 39.6 15.2 82 83 A S H X S+ 0 0 41 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.936 109.2 41.3 -59.5 -45.0 4.0 39.7 14.4 83 84 A N H X S+ 0 0 5 -4,-1.4 4,-1.7 1,-0.2 -2,-0.2 0.950 111.6 55.3 -65.0 -45.1 4.4 36.7 16.7 84 85 A A H <>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 4,-0.4 0.836 105.3 53.7 -59.6 -35.4 1.3 35.0 15.5 85 86 A W H ><5S+ 0 0 72 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.956 110.1 46.5 -61.6 -47.7 2.6 35.1 11.9 86 87 A N H 3<5S+ 0 0 29 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.762 113.9 47.7 -69.1 -26.2 5.8 33.4 12.9 87 88 A S T 3<5S- 0 0 6 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.400 106.6-123.9 -90.4 2.2 4.1 30.7 14.9 88 89 A H T < 5 - 0 0 15 -3,-1.2 -3,-0.2 -4,-0.4 63,-0.2 0.895 44.9-179.7 53.7 43.2 1.6 29.9 12.2 89 90 A S < - 0 0 0 -5,-2.3 2,-1.5 -6,-0.1 -1,-0.2 -0.616 29.9-131.3 -82.2 127.1 -1.2 30.6 14.7 90 91 A P + 0 0 5 0, 0.0 -26,-2.1 0, 0.0 2,-0.5 -0.578 44.0 162.4 -82.0 88.4 -4.7 30.2 13.2 91 92 A L E -d 64 0B 0 -2,-1.5 62,-2.4 -28,-0.2 2,-0.8 -0.941 32.1-155.2-114.0 127.7 -6.3 33.4 14.4 92 93 A I E -de 65 153B 0 -28,-3.0 -26,-3.0 -2,-0.5 2,-0.7 -0.873 18.8-167.1-102.0 102.1 -9.4 34.9 12.9 93 94 A V E -de 66 154B 0 60,-2.5 62,-2.6 -2,-0.8 2,-0.3 -0.826 7.3-178.4 -97.4 116.3 -9.1 38.6 13.7 94 95 A T E -de 67 155B 5 -28,-2.4 -26,-2.8 -2,-0.7 2,-0.3 -0.866 3.4-176.0-112.0 148.4 -12.3 40.6 13.2 95 96 A A E -de 68 156B 2 60,-2.1 62,-2.3 -2,-0.3 2,-0.3 -0.996 24.9-117.8-142.3 139.8 -12.7 44.3 13.6 96 97 A G E -de 69 157B 3 -28,-1.6 -26,-0.6 -2,-0.3 2,-0.2 -0.605 26.0-159.5 -81.3 146.1 -15.7 46.5 13.4 97 98 A Q E - e 0 158B 2 60,-2.3 62,-2.0 -71,-0.3 13,-0.2 -0.723 29.4 -87.4-114.3 160.0 -16.0 49.3 10.8 98 99 A Q - 0 0 22 11,-0.3 62,-0.2 -2,-0.2 -1,-0.2 -0.160 61.6 -76.8 -58.6 162.2 -18.2 52.4 10.7 99 100 A T >> - 0 0 22 59,-0.2 3,-2.3 60,-0.1 4,-0.6 -0.358 45.8-115.1 -59.3 142.5 -21.6 52.2 9.2 100 101 A R H >> S+ 0 0 69 1,-0.3 3,-1.1 2,-0.2 4,-0.5 0.853 112.8 64.0 -57.0 -32.0 -21.3 52.1 5.4 101 102 A A H 34 S+ 0 0 87 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.705 109.8 37.5 -66.2 -19.5 -23.1 55.5 5.2 102 103 A M H <4>S+ 0 0 92 -3,-2.3 5,-1.7 2,-0.1 4,-0.4 0.341 87.9 91.1-116.3 10.7 -20.4 57.2 7.0 103 104 A I H X<5S+ 0 0 44 -3,-1.1 3,-1.2 -4,-0.6 -2,-0.1 0.895 84.4 56.5 -63.9 -41.3 -17.2 55.6 5.7 104 105 A G T 3<5S+ 0 0 71 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.885 106.9 46.7 -64.5 -40.1 -16.8 58.1 2.9 105 106 A V T 3 5S- 0 0 128 -4,-0.2 -1,-0.3 1,-0.0 -2,-0.2 0.578 110.4-124.7 -75.8 -8.4 -16.7 61.1 5.1 106 107 A E T < 5 - 0 0 121 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.957 35.6-165.6 57.8 58.0 -14.2 59.3 7.4 107 108 A A > < - 0 0 20 -5,-1.7 3,-2.0 1,-0.2 -9,-0.1 -0.259 39.8 -70.7 -55.9 156.4 -16.3 59.7 10.5 108 109 A L T 3 S+ 0 0 149 1,-0.3 -1,-0.2 3,-0.0 3,-0.1 -0.248 125.8 29.7 -49.6 137.8 -14.5 59.0 13.8 109 110 A L T 3 S+ 0 0 58 1,-0.3 2,-0.4 -3,-0.1 -11,-0.3 0.448 82.5 141.5 81.9 6.1 -13.9 55.3 14.1 110 111 A T < - 0 0 19 -3,-2.0 2,-1.0 -13,-0.2 -1,-0.3 -0.647 49.2-140.4 -73.0 131.0 -13.6 54.7 10.4 111 112 A N > - 0 0 4 -2,-0.4 3,-0.9 -3,-0.1 2,-0.3 -0.838 23.7-145.7 -92.2 98.8 -10.9 52.2 9.6 112 113 A V T 3 S- 0 0 78 -2,-1.0 5,-0.1 1,-0.3 4,-0.1 -0.522 74.9 -8.2 -74.2 132.4 -9.4 53.7 6.5 113 114 A D T >> S- 0 0 110 -2,-0.3 3,-1.7 1,-0.1 4,-0.7 0.921 87.4-176.7 51.2 47.1 -8.1 51.3 3.9 114 115 A A G X4 + 0 0 6 -3,-0.9 3,-1.3 1,-0.3 -2,-0.1 0.790 67.1 57.7 -54.1 -45.1 -8.7 48.7 6.5 115 116 A A G 34 S+ 0 0 20 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.795 104.8 54.1 -63.2 -25.3 -7.5 45.6 4.7 116 117 A N G <4 S+ 0 0 75 -3,-1.7 3,-0.4 1,-0.2 -1,-0.3 0.723 89.3 81.1 -78.5 -19.2 -4.0 47.2 4.4 117 118 A L S << S+ 0 0 54 -3,-1.3 -1,-0.2 -4,-0.7 -2,-0.2 0.935 97.5 35.3 -57.3 -56.3 -3.7 47.9 8.1 118 119 A P S > S+ 0 0 0 0, 0.0 3,-2.3 0, 0.0 -1,-0.2 0.614 96.4 144.6 -81.0 -5.7 -2.5 44.5 9.4 119 120 A R T 3 + 0 0 119 -3,-0.4 4,-0.1 -4,-0.4 -3,-0.0 -0.458 55.3 27.9 -66.3 143.6 -0.5 43.7 6.3 120 121 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 -0.866 115.2 63.9 -97.2 26.6 2.1 42.2 6.0 121 122 A L S < S+ 0 0 38 -3,-2.3 2,-0.3 30,-0.0 -2,-0.2 0.294 92.2 70.8 -98.4 11.1 1.3 40.1 9.1 122 123 A V - 0 0 15 29,-0.1 31,-0.2 1,-0.1 3,-0.1 -0.933 67.9-140.6-130.7 150.4 -1.8 38.3 7.9 123 124 A K S S+ 0 0 53 29,-3.1 2,-0.3 -2,-0.3 30,-0.2 0.736 93.7 7.4 -74.4 -27.4 -2.4 35.6 5.3 124 125 A W - 0 0 39 28,-0.5 30,-2.2 2,-0.0 2,-0.3 -0.960 65.4-175.0-156.9 140.5 -5.6 37.2 4.1 125 126 A S E +f 154 0B 2 -2,-0.3 2,-0.3 28,-0.2 30,-0.2 -0.990 18.1 156.4-148.5 132.6 -7.2 40.6 4.9 126 127 A Y E -f 155 0B 58 28,-1.8 30,-2.4 -2,-0.3 -2,-0.0 -1.000 35.2-156.2-161.3 150.3 -10.5 41.8 3.7 127 128 A E - 0 0 51 -2,-0.3 30,-0.1 28,-0.2 -12,-0.1 -0.989 38.7-121.2-127.8 121.2 -13.6 44.1 4.0 128 129 A P - 0 0 2 0, 0.0 6,-0.1 0, 0.0 3,-0.1 -0.274 6.3-135.7 -66.6 152.3 -16.7 42.8 2.3 129 130 A A S S+ 0 0 83 1,-0.1 2,-0.3 4,-0.0 3,-0.1 0.501 84.9 14.5 -82.9 -8.6 -18.5 44.8 -0.4 130 131 A S S > S- 0 0 55 1,-0.1 3,-0.9 28,-0.0 4,-0.4 -0.977 77.3-109.1-159.7 160.7 -22.0 44.2 1.0 131 132 A A G > S+ 0 0 11 -2,-0.3 3,-1.9 1,-0.2 -1,-0.1 0.893 114.5 57.7 -61.8 -43.1 -23.7 43.0 4.1 132 133 A A G 3 S+ 0 0 42 1,-0.3 35,-0.5 2,-0.2 4,-0.4 0.687 100.4 59.8 -67.9 -13.9 -24.9 39.7 2.5 133 134 A E G <> S+ 0 0 36 -3,-0.9 4,-2.8 1,-0.2 -1,-0.3 0.630 80.5 89.9 -80.7 -16.0 -21.3 38.9 1.7 134 135 A V H <> S+ 0 0 0 -3,-1.9 4,-2.6 -4,-0.4 5,-0.2 0.886 84.9 48.1 -56.5 -45.8 -20.3 38.9 5.4 135 136 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.923 113.6 48.5 -60.2 -42.1 -21.0 35.2 6.1 136 137 A H H > S+ 0 0 83 -4,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.921 111.4 49.3 -61.7 -42.6 -19.1 34.2 3.0 137 138 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.893 109.8 52.2 -64.7 -35.8 -16.2 36.4 4.0 138 139 A M H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.3 -2,-0.2 0.897 107.6 52.3 -65.9 -39.5 -16.2 34.9 7.5 139 140 A S H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.941 109.1 49.6 -57.8 -47.8 -16.1 31.5 5.9 140 141 A R H X S+ 0 0 90 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.913 110.2 51.6 -57.5 -43.8 -13.1 32.5 3.9 141 142 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.929 109.0 49.9 -60.8 -47.7 -11.4 33.9 7.0 142 143 A I H X S+ 0 0 2 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.946 116.5 40.5 -56.6 -49.5 -12.0 30.6 8.9 143 144 A H H X S+ 0 0 16 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.889 112.3 54.0 -73.2 -39.3 -10.5 28.4 6.2 144 145 A M H < S+ 0 0 57 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.884 112.2 46.0 -61.3 -36.6 -7.6 30.8 5.3 145 146 A A H < S+ 0 0 0 -4,-2.2 6,-1.5 -5,-0.2 -1,-0.2 0.872 117.8 44.2 -68.5 -33.9 -6.6 30.8 9.0 146 147 A S H < S+ 0 0 34 -4,-1.5 4,-0.2 -5,-0.2 -2,-0.2 0.714 90.8 89.5 -91.7 -24.7 -6.9 27.0 9.2 147 148 A M S < S- 0 0 54 -4,-2.3 4,-0.1 2,-0.2 32,-0.1 -0.458 91.6 -62.0 -73.2 143.0 -5.3 25.7 6.1 148 149 A A S S+ 0 0 33 1,-0.2 -1,-0.1 -2,-0.2 152,-0.1 -0.481 127.6 42.8 -61.7 137.0 -1.6 24.9 6.1 149 150 A P S S- 0 0 23 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.459 96.5-151.1 -76.5 125.8 0.4 27.0 6.7 150 151 A Q + 0 0 58 -4,-0.2 -4,-0.2 -62,-0.2 -5,-0.1 -0.153 30.5 140.9 -60.5 158.4 -1.9 28.2 9.4 151 152 A G - 0 0 1 -6,-1.5 -60,-0.2 -63,-0.2 -66,-0.1 -0.985 48.4 -61.0 178.6 174.4 -1.8 31.9 10.3 152 153 A P - 0 0 0 0, 0.0 -29,-3.1 0, 0.0 -28,-0.5 -0.427 43.0-172.7 -75.6 148.0 -3.7 35.0 11.2 153 154 A V E -e 92 0B 0 -62,-2.4 -60,-2.5 -31,-0.2 2,-0.4 -0.890 11.0-139.6-134.5 162.8 -6.3 36.6 9.0 154 155 A Y E -ef 93 125B 0 -30,-2.2 -28,-1.8 -2,-0.3 2,-0.4 -0.988 14.7-179.4-137.3 135.3 -8.3 39.8 9.2 155 156 A L E -ef 94 126B 0 -62,-2.6 -60,-2.1 -2,-0.4 2,-0.4 -0.988 9.2-161.9-135.2 121.6 -11.9 40.8 8.5 156 157 A S E -e 95 0B 0 -30,-2.4 -60,-0.2 -2,-0.4 -41,-0.1 -0.879 11.5-170.1-102.4 131.4 -13.3 44.2 8.8 157 158 A V E -e 96 0B 3 -62,-2.3 -60,-2.3 -2,-0.4 5,-0.1 -0.951 23.3-126.5-130.2 116.5 -17.2 44.5 9.0 158 159 A P E > -e 97 0B 0 0, 0.0 3,-2.1 0, 0.0 4,-0.4 -0.310 27.8-126.5 -52.9 135.7 -19.3 47.7 8.8 159 160 A Y G > S+ 0 0 81 -62,-2.0 3,-0.7 1,-0.3 4,-0.3 0.717 103.9 61.7 -68.2 -24.3 -21.5 47.7 11.8 160 161 A D G 3 S+ 0 0 36 1,-0.2 3,-0.4 -62,-0.2 4,-0.3 0.539 87.9 77.2 -75.1 -8.3 -24.7 48.2 9.9 161 162 A D G X S+ 0 0 1 -3,-2.1 3,-1.4 1,-0.2 -158,-0.4 0.840 78.5 69.2 -68.4 -33.5 -24.2 44.9 8.1 162 163 A W T < S+ 0 0 9 -3,-0.7 -158,-2.5 -4,-0.4 -159,-0.3 0.820 98.6 46.6 -62.4 -35.3 -25.2 42.6 11.0 163 164 A D T 3 S+ 0 0 102 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.581 92.3 101.2 -84.9 -7.1 -28.9 43.4 11.1 164 165 A K S < S- 0 0 103 -3,-1.4 -161,-2.5 -4,-0.3 -160,-0.3 -0.302 85.4 -88.0 -75.1 162.5 -29.3 43.1 7.3 165 166 A D B -A 2 0A 134 -163,-0.2 -163,-0.3 -162,-0.1 2,-0.2 -0.421 41.5-136.0 -69.0 136.4 -30.8 40.0 5.7 166 167 A A - 0 0 14 -165,-2.8 -34,-0.1 -2,-0.2 -33,-0.1 -0.496 26.0 -98.1 -82.6 159.7 -28.5 37.2 4.8 167 168 A D > - 0 0 78 -35,-0.5 3,-2.4 -2,-0.2 4,-0.2 -0.687 27.6-140.9 -70.0 124.0 -28.4 35.3 1.6 168 169 A P G > S+ 0 0 104 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.806 100.6 67.9 -58.0 -26.8 -30.4 32.0 2.3 169 170 A Q G > S+ 0 0 105 1,-0.3 3,-1.4 2,-0.1 4,-0.2 0.567 74.2 86.7 -73.6 -3.2 -27.8 30.3 0.2 170 171 A S G X + 0 0 8 -3,-2.4 3,-2.1 1,-0.2 4,-0.5 0.657 67.0 83.8 -65.2 -11.4 -25.2 31.0 2.9 171 172 A H G X S+ 0 0 93 -3,-1.7 3,-1.3 1,-0.3 4,-0.5 0.818 76.8 68.5 -59.8 -28.7 -26.4 27.7 4.5 172 173 A H G < S+ 0 0 114 -3,-1.4 -1,-0.3 1,-0.3 3,-0.2 0.725 92.5 60.4 -62.9 -19.2 -24.0 26.0 2.1 173 174 A L G X S+ 0 0 18 -3,-2.1 3,-1.2 -4,-0.2 -1,-0.3 0.775 85.0 79.8 -72.1 -26.9 -21.1 27.5 4.1 174 175 A F T < S+ 0 0 25 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.1 0.855 101.3 26.7 -60.6 -46.4 -22.0 25.9 7.4 175 176 A D T 3 S+ 0 0 108 -4,-0.5 -1,-0.3 -3,-0.2 -2,-0.1 0.207 79.9 143.1-105.5 18.7 -20.6 22.4 7.1 176 177 A R < - 0 0 121 -3,-1.2 2,-0.5 -4,-0.1 -3,-0.0 -0.346 35.4-155.6 -60.3 132.6 -17.8 22.9 4.6 177 178 A H - 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0 0 40 -5,-2.5 3,-0.3 -6,-0.2 2,-0.2 -0.639 15.6-166.8 -81.6 119.1 28.9 49.4 22.4 470 471 A E + 0 0 150 -2,-0.6 -5,-0.0 1,-0.2 -1,-0.0 -0.689 59.9 25.5-104.7 162.9 29.3 52.0 25.0 471 472 A N S S+ 0 0 159 -2,-0.2 -1,-0.2 1,-0.2 -2,-0.0 0.817 71.5 163.0 55.8 41.4 26.9 54.7 26.1 472 473 A V - 0 0 65 -3,-0.3 3,-0.4 -11,-0.0 -1,-0.2 -0.794 25.7-147.5 -87.0 123.5 23.7 52.9 25.1 473 474 A P + 0 0 110 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.331 65.9 34.7 -81.8 165.3 20.7 54.4 26.8 474 475 A G S S+ 0 0 62 1,-0.1 -2,-0.0 -2,-0.1 -17,-0.0 0.632 71.5 120.0 78.3 20.3 17.5 52.8 28.0 475 476 A L + 0 0 19 -3,-0.4 -18,-3.3 -19,-0.1 2,-0.4 0.570 57.0 74.7 -98.2 -6.9 18.7 49.4 29.2 476 477 A D B -S 456 0F 84 -20,-0.2 -20,-0.3 -15,-0.0 -21,-0.1 -0.868 49.3-174.7-111.5 142.9 17.7 49.5 32.8 477 478 A V + 0 0 22 -22,-2.1 3,-0.3 -2,-0.4 -22,-0.2 -0.402 24.1 162.2-130.6 57.9 14.2 49.2 34.3 478 479 A P + 0 0 100 0, 0.0 -2,-0.0 0, 0.0 -22,-0.0 -0.219 48.1 44.5 -69.0 159.9 14.5 49.9 38.0 479 480 A G + 0 0 87 1,-0.2 2,-0.5 0, 0.0 0, 0.0 0.788 67.5 135.9 87.6 28.1 11.7 50.7 40.3 480 481 A I - 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