==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 24-MAR-13 4JU9 . COMPND 2 MOLECULE: BENZOYLFORMATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR M.J.MCLEISH,H.R.BRODKIN . 524 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20902.0 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 . 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 . 43 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 11.6 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 2 1 1 3 2 1 1 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 0 105 0, 0.0 165,-3.1 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 154.8 49.1 35.1 146.2 2 3 A S B > -A 165 0A 40 163,-0.3 4,-2.7 1,-0.1 163,-0.2 -0.495 360.0-111.9 -85.1 163.0 51.4 38.1 147.0 3 4 A V H > S+ 0 0 0 161,-2.6 4,-2.6 158,-0.4 5,-0.2 0.903 120.7 56.1 -57.5 -40.2 55.0 38.3 146.2 4 5 A H H > S+ 0 0 17 158,-2.5 4,-2.3 160,-0.3 5,-0.2 0.963 110.6 41.7 -53.9 -56.6 55.6 38.2 150.0 5 6 A G H > S+ 0 0 32 157,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.913 115.9 49.1 -62.5 -43.6 53.7 34.9 150.4 6 7 A T H X S+ 0 0 11 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.887 110.9 50.3 -64.1 -39.3 55.2 33.3 147.3 7 8 A T H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.927 110.5 47.6 -69.4 -44.2 58.8 34.3 148.3 8 9 A Y H X S+ 0 0 3 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.892 111.7 52.1 -63.8 -35.5 58.5 32.9 151.8 9 10 A E H X S+ 0 0 54 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.940 109.8 49.0 -64.1 -44.0 57.0 29.7 150.4 10 11 A L H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.940 111.2 50.3 -57.6 -47.4 59.9 29.4 148.0 11 12 A L H <>S+ 0 0 0 -4,-2.7 5,-2.8 1,-0.2 3,-0.5 0.952 113.6 43.7 -57.4 -50.9 62.4 30.0 150.9 12 13 A R H ><5S+ 0 0 77 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.909 111.7 53.3 -66.1 -37.5 60.8 27.3 153.0 13 14 A R H 3<5S+ 0 0 98 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.765 109.0 51.3 -66.4 -23.7 60.5 24.8 150.1 14 15 A Q T 3<5S- 0 0 43 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.225 126.8-100.6 -97.3 12.0 64.2 25.4 149.5 15 16 A G T < 5S+ 0 0 43 -3,-1.7 2,-0.5 1,-0.3 -3,-0.2 0.532 77.3 135.8 88.5 7.9 65.1 24.6 153.2 16 17 A I < + 0 0 8 -5,-2.8 -1,-0.3 -6,-0.2 -2,-0.1 -0.778 8.8 149.5 -94.4 129.3 65.5 28.2 154.4 17 18 A D + 0 0 62 -2,-0.5 22,-2.1 1,-0.1 2,-0.4 0.287 52.0 69.8-139.5 5.0 63.9 28.9 157.8 18 19 A T E -b 39 0B 5 20,-0.2 47,-0.6 2,-0.0 2,-0.5 -0.994 55.1-159.7-134.7 136.3 66.0 31.6 159.4 19 20 A V E -bc 40 65B 0 20,-2.9 22,-2.9 -2,-0.4 2,-0.6 -0.978 5.9-159.8-116.3 119.7 66.6 35.3 158.6 20 21 A F E +bc 41 66B 1 45,-2.7 47,-2.3 -2,-0.5 2,-0.3 -0.879 38.0 145.5 -93.8 123.8 69.8 36.9 159.9 21 22 A G E -bc 42 67B 0 20,-2.4 22,-1.7 -2,-0.6 47,-0.2 -0.971 56.7-146.7-155.8 163.8 69.1 40.6 159.9 22 23 A N - 0 0 34 45,-1.5 47,-0.3 -2,-0.3 22,-0.1 -0.949 48.6-128.7-130.5 116.6 69.3 44.2 161.0 23 24 A P + 0 0 59 0, 0.0 2,-0.3 0, 0.0 46,-0.1 -0.252 31.5 170.8 -76.7 156.5 66.0 45.8 160.1 24 25 A G >> - 0 0 15 44,-0.1 3,-1.6 1,-0.0 4,-0.8 -0.934 47.7 -93.9-151.4 173.4 65.4 49.0 158.2 25 26 A S G >4 S+ 0 0 62 -2,-0.3 3,-0.8 1,-0.3 -1,-0.0 0.865 119.4 57.1 -65.4 -35.0 62.5 50.8 156.6 26 27 A N G 34 S+ 0 0 0 1,-0.2 71,-0.3 70,-0.2 -1,-0.3 0.595 110.4 47.2 -70.5 -10.5 62.9 49.4 153.1 27 28 A E G X> S+ 0 0 2 -3,-1.6 4,-2.6 69,-0.2 3,-1.2 0.519 83.2 90.9-106.7 -8.3 62.6 45.9 154.6 28 29 A L H < S+ 0 0 24 -4,-2.6 3,-0.8 3,-0.1 -3,-0.2 0.664 89.8 101.7 -82.3 -18.7 59.4 41.4 157.5 32 33 A K T 3< S+ 0 0 67 -4,-2.0 0, 0.0 -5,-0.3 0, 0.0 -0.260 87.3 20.6 -63.8 155.7 55.8 42.2 158.3 33 34 A D T 3 S- 0 0 128 1,-0.2 -1,-0.3 2,-0.0 3,-0.1 0.888 91.7-162.6 51.6 39.6 53.6 39.2 158.8 34 35 A F < - 0 0 53 -3,-0.8 -1,-0.2 1,-0.1 -3,-0.1 -0.289 26.3-101.7 -58.2 130.0 56.8 37.3 159.5 35 36 A P > - 0 0 18 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.234 18.7-133.9 -63.7 141.8 56.0 33.6 159.1 36 37 A E T 3 S+ 0 0 202 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.717 105.0 56.9 -66.1 -22.0 55.6 31.7 162.4 37 38 A D T 3 S+ 0 0 87 2,-0.0 -1,-0.3 -19,-0.0 2,-0.3 0.476 96.0 81.9 -87.6 -3.6 57.8 28.9 161.1 38 39 A F < - 0 0 14 -3,-1.7 2,-0.4 -20,-0.0 -20,-0.2 -0.683 68.7-143.3 -98.9 156.5 60.7 31.2 160.5 39 40 A R E -b 18 0B 99 -22,-2.1 -20,-2.9 -2,-0.3 2,-0.5 -0.936 6.2-152.8-112.5 140.4 63.2 32.5 163.0 40 41 A Y E -b 19 0B 48 -2,-0.4 2,-0.6 -22,-0.2 -20,-0.2 -0.975 5.2-163.4-113.8 127.4 64.7 36.1 162.9 41 42 A I E -b 20 0B 5 -22,-2.9 -20,-2.4 -2,-0.5 2,-0.3 -0.942 12.0-155.7-111.6 108.5 68.1 36.5 164.4 42 43 A L E -b 21 0B 42 -2,-0.6 2,-0.3 -22,-0.2 -20,-0.2 -0.670 12.7-178.1 -83.3 136.4 68.9 40.2 165.1 43 44 A A - 0 0 0 -22,-1.7 393,-0.1 -2,-0.3 6,-0.1 -0.949 30.2-127.1-128.9 158.6 72.4 41.6 165.3 44 45 A L S S+ 0 0 67 -2,-0.3 2,-0.3 391,-0.3 392,-0.1 0.550 89.3 25.3 -86.6 -11.5 73.2 45.2 166.1 45 46 A Q S >> S- 0 0 63 -24,-0.1 4,-1.9 388,-0.1 3,-0.7 -0.981 79.7-117.4-150.1 152.8 75.5 46.0 163.1 46 47 A E H 3> S+ 0 0 16 -2,-0.3 4,-2.4 1,-0.3 5,-0.2 0.758 110.7 59.4 -72.8 -25.9 75.7 44.4 159.6 47 48 A A H 3> S+ 0 0 18 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.874 110.8 46.8 -61.9 -35.1 79.2 43.0 159.8 48 49 A C H <> S+ 0 0 1 -3,-0.7 4,-2.6 2,-0.2 5,-0.2 0.907 108.9 53.2 -70.8 -45.1 77.8 41.1 162.8 49 50 A V H X S+ 0 0 2 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.946 114.9 40.8 -52.3 -53.0 74.7 40.0 160.9 50 51 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.902 112.8 53.8 -70.0 -38.2 76.7 38.6 158.1 51 52 A G H X S+ 0 0 2 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.900 110.8 47.2 -60.3 -42.5 79.4 37.1 160.3 52 53 A I H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.948 113.8 46.9 -63.8 -48.9 76.8 35.2 162.3 53 54 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.875 111.1 53.9 -58.7 -39.1 75.0 34.0 159.1 54 55 A D H X S+ 0 0 1 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.952 109.1 45.9 -62.9 -52.4 78.4 33.0 157.7 55 56 A G H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.914 113.7 51.3 -55.9 -42.1 79.4 30.8 160.6 56 57 A Y H X S+ 0 0 19 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.928 112.6 44.8 -60.9 -47.4 75.9 29.3 160.5 57 58 A A H X>S+ 0 0 1 -4,-2.8 4,-1.6 2,-0.2 5,-1.1 0.911 113.8 49.2 -63.3 -45.7 76.2 28.5 156.8 58 59 A Q H <5S+ 0 0 7 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.920 117.4 40.0 -63.2 -43.4 79.7 27.1 157.1 59 60 A A H <5S+ 0 0 3 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.877 119.4 44.9 -74.2 -39.0 78.9 24.8 160.0 60 61 A S H <5S- 0 0 35 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.636 98.3-136.8 -78.0 -17.4 75.4 23.8 158.7 61 62 A R T <5S+ 0 0 78 -4,-1.6 -3,-0.2 1,-0.2 -4,-0.1 0.877 71.6 94.6 58.2 41.4 76.7 23.2 155.2 62 63 A K S > - d 0 96B 26 -2,-0.3 4,-2.7 -47,-0.3 5,-0.5 -0.759 59.7 -83.5 -92.1 104.0 68.9 47.9 154.8 70 71 A S H >5S- 0 0 3 26,-0.9 4,-1.7 -2,-0.9 5,-0.2 0.130 89.9 -25.7 48.3-144.9 69.8 49.3 151.3 71 72 A A H >5S+ 0 0 34 2,-0.2 4,-3.1 3,-0.2 -1,-0.2 0.877 136.4 51.2 -75.1 -40.5 73.3 50.7 150.6 72 73 A A H >5S+ 0 0 67 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.929 114.1 43.4 -67.9 -42.8 74.3 51.6 154.1 73 74 A G H X5S+ 0 0 1 -4,-2.7 4,-0.8 2,-0.2 -3,-0.2 0.926 116.9 46.7 -66.2 -45.4 73.5 48.3 155.6 74 75 A T H ><< S+ 0 0 33 -4,-3.1 3,-1.7 1,-0.3 4,-0.4 0.903 103.0 55.9 -57.3 -43.5 78.1 48.6 152.9 76 77 A N H 3< S+ 0 0 80 -4,-2.3 -1,-0.3 1,-0.3 3,-0.2 0.735 110.1 49.2 -60.7 -21.3 78.6 47.9 156.6 77 78 A A T S+ 0 0 34 -3,-1.7 4,-1.5 -4,-0.3 -1,-0.1 0.822 80.5 53.4 -71.5 -28.0 81.2 44.3 152.9 79 80 A G H > S+ 0 0 48 -4,-0.4 4,-1.4 -3,-0.2 -1,-0.2 0.905 109.5 50.6 -65.1 -39.3 84.2 43.4 154.9 80 81 A A H > S+ 0 0 13 1,-0.2 4,-2.1 -4,-0.2 -2,-0.2 0.895 107.2 54.3 -64.4 -36.9 82.3 40.3 156.1 81 82 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.829 99.0 61.9 -67.0 -30.8 81.5 39.5 152.5 82 83 A S H X S+ 0 0 31 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.939 107.9 43.6 -60.7 -42.5 85.2 39.6 151.6 83 84 A N H X S+ 0 0 5 -4,-1.4 4,-1.8 1,-0.2 -2,-0.2 0.946 111.2 54.5 -63.5 -46.5 85.7 36.7 154.0 84 85 A A H <>S+ 0 0 0 -4,-2.1 5,-2.4 1,-0.2 4,-0.4 0.843 104.8 54.4 -58.3 -37.8 82.6 34.9 152.7 85 86 A W H ><5S+ 0 0 71 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.952 110.1 46.0 -59.8 -48.5 83.9 35.0 149.1 86 87 A N H 3<5S+ 0 0 30 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.759 114.2 47.7 -68.8 -25.0 87.2 33.4 150.1 87 88 A S T 3<5S- 0 0 5 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.367 106.8-124.2 -94.4 4.9 85.4 30.7 152.2 88 89 A H T < 5 - 0 0 15 -3,-1.2 63,-0.2 -4,-0.4 -3,-0.2 0.900 44.6-179.7 53.4 42.2 82.9 29.9 149.4 89 90 A S < - 0 0 0 -5,-2.4 2,-1.5 -6,-0.1 -1,-0.2 -0.615 30.1-130.1 -81.0 127.9 80.1 30.5 152.0 90 91 A P + 0 0 5 0, 0.0 -26,-2.0 0, 0.0 2,-0.5 -0.574 45.1 161.7 -80.0 90.2 76.6 30.1 150.5 91 92 A L E -d 64 0B 0 -2,-1.5 62,-2.4 60,-0.2 2,-0.8 -0.942 32.1-155.7-116.2 130.9 75.0 33.4 151.6 92 93 A I E -de 65 153B 0 -28,-3.0 -26,-3.0 -2,-0.5 2,-0.7 -0.897 17.3-167.1-104.3 104.5 71.9 34.9 150.2 93 94 A V E -de 66 154B 0 60,-2.5 62,-2.7 -2,-0.8 2,-0.4 -0.851 5.7-176.0 -98.7 115.1 72.1 38.6 150.9 94 95 A T E -de 67 155B 5 -28,-2.5 -26,-2.6 -2,-0.7 2,-0.4 -0.897 1.6-171.9-109.4 139.9 68.9 40.6 150.4 95 96 A A E -de 68 156B 1 60,-2.4 62,-2.0 -2,-0.4 2,-0.2 -0.996 23.6-120.8-132.3 131.1 68.8 44.4 150.8 96 97 A G E -de 69 157B 4 -28,-2.1 -26,-0.9 -2,-0.4 2,-0.2 -0.499 27.2-160.6 -74.4 138.2 65.7 46.5 150.7 97 98 A Q E - e 0 158B 2 60,-2.5 62,-2.1 -71,-0.3 13,-0.2 -0.661 28.9 -87.0-109.2 161.1 65.4 49.2 148.1 98 99 A Q - 0 0 20 11,-0.3 -1,-0.2 -2,-0.2 62,-0.2 -0.202 60.5 -78.4 -59.6 160.4 63.2 52.3 147.9 99 100 A T >> - 0 0 20 59,-0.2 3,-2.4 60,-0.1 4,-0.7 -0.338 46.0-114.0 -58.5 142.1 59.8 52.1 146.5 100 101 A R H >> S+ 0 0 69 1,-0.3 3,-1.0 2,-0.2 4,-0.6 0.859 114.1 59.9 -53.5 -35.8 60.0 52.0 142.7 101 102 A A H 34 S+ 0 0 93 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.649 110.1 41.6 -68.3 -14.0 58.2 55.4 142.4 102 103 A M H <4>S+ 0 0 83 -3,-2.4 5,-1.8 2,-0.1 4,-0.4 0.397 89.1 87.4-115.1 4.1 60.9 57.1 144.5 103 104 A I H X<5S+ 0 0 42 -3,-1.0 3,-1.3 -4,-0.7 -2,-0.1 0.907 84.1 57.2 -67.5 -41.0 64.0 55.5 143.0 104 105 A G T 3<5S+ 0 0 75 -4,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.875 106.8 46.4 -60.8 -41.4 64.4 58.1 140.2 105 106 A V T 3 5S- 0 0 118 -4,-0.2 -1,-0.3 1,-0.0 -2,-0.2 0.550 111.1-123.1 -76.8 -6.7 64.5 61.1 142.4 106 107 A E T < 5 - 0 0 125 -3,-1.3 -3,-0.2 -4,-0.4 3,-0.1 0.961 37.4-166.3 56.0 56.2 67.1 59.3 144.6 107 108 A A > < - 0 0 19 -5,-1.8 3,-2.0 1,-0.2 -9,-0.1 -0.231 40.0 -68.4 -57.1 156.2 65.0 59.6 147.8 108 109 A L T 3 S+ 0 0 150 1,-0.3 -1,-0.2 3,-0.0 3,-0.1 -0.255 126.1 26.6 -47.4 136.3 66.8 58.8 151.0 109 110 A L T 3 S+ 0 0 56 1,-0.3 2,-0.4 -3,-0.1 -11,-0.3 0.487 81.9 144.2 78.9 8.5 67.6 55.1 151.2 110 111 A T < - 0 0 18 -3,-2.0 2,-1.0 -13,-0.2 -1,-0.3 -0.657 48.4-139.6 -71.5 129.1 67.7 54.6 147.5 111 112 A N > - 0 0 5 -2,-0.4 3,-1.0 -3,-0.1 2,-0.2 -0.815 23.3-146.5 -90.2 98.9 70.5 52.1 146.8 112 113 A V T 3 S- 0 0 76 -2,-1.0 5,-0.1 1,-0.3 4,-0.1 -0.495 75.4 -6.9 -74.9 134.0 72.0 53.7 143.7 113 114 A D T >> S- 0 0 110 -2,-0.2 3,-1.8 1,-0.1 4,-0.7 0.912 88.3-176.5 50.0 46.5 73.4 51.3 141.1 114 115 A A G X4 + 0 0 6 -3,-1.0 3,-1.3 1,-0.3 -2,-0.1 0.792 67.7 56.5 -51.2 -46.4 72.6 48.6 143.7 115 116 A A G 34 S+ 0 0 21 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.782 105.1 54.5 -62.8 -26.1 73.9 45.5 141.9 116 117 A N G <4 S+ 0 0 73 -3,-1.8 3,-0.3 1,-0.2 -1,-0.3 0.708 89.0 80.5 -77.6 -19.3 77.4 47.1 141.6 117 118 A L S << S+ 0 0 61 -3,-1.3 -1,-0.2 -4,-0.7 -2,-0.2 0.942 97.8 35.1 -57.4 -56.1 77.7 47.9 145.3 118 119 A P S > S+ 0 0 0 0, 0.0 3,-2.4 0, 0.0 -1,-0.2 0.625 96.8 144.2 -78.8 -10.5 78.8 44.4 146.6 119 120 A R T 3 + 0 0 116 -4,-0.4 4,-0.1 1,-0.3 -3,-0.0 -0.458 55.2 27.7 -63.7 142.5 80.9 43.6 143.5 120 121 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 -0.878 115.4 64.4 -98.7 25.9 83.4 42.1 143.2 121 122 A L S < S+ 0 0 38 -3,-2.4 2,-0.3 30,-0.0 -2,-0.2 0.246 92.0 69.6 -97.1 11.8 82.7 40.1 146.3 122 123 A V - 0 0 14 1,-0.1 31,-0.2 29,-0.1 3,-0.1 -0.947 68.4-138.9-130.9 152.0 79.6 38.2 145.1 123 124 A K S S+ 0 0 53 29,-3.1 2,-0.3 -2,-0.3 30,-0.2 0.741 94.1 7.3 -73.5 -28.6 78.8 35.5 142.6 124 125 A W - 0 0 39 28,-0.5 30,-2.3 2,-0.0 2,-0.3 -0.963 64.8-173.7-158.9 139.5 75.7 37.1 141.3 125 126 A S E +f 154 0B 3 -2,-0.3 2,-0.3 28,-0.2 30,-0.2 -0.984 19.1 156.4-146.3 130.4 74.2 40.5 142.1 126 127 A Y E -f 155 0B 58 28,-2.0 30,-2.5 -2,-0.3 -2,-0.0 -1.000 34.9-157.4-160.7 147.1 70.8 41.7 140.8 127 128 A E - 0 0 52 -2,-0.3 30,-0.1 28,-0.2 -12,-0.0 -0.993 38.4-121.7-125.1 125.0 67.7 43.9 141.2 128 129 A P - 0 0 2 0, 0.0 6,-0.1 0, 0.0 3,-0.1 -0.283 7.4-134.1 -68.8 153.0 64.5 42.7 139.5 129 130 A A S S+ 0 0 83 1,-0.1 2,-0.3 4,-0.0 3,-0.1 0.514 85.4 13.6 -83.2 -7.1 62.8 44.7 136.8 130 131 A S S > S- 0 0 55 1,-0.1 3,-0.9 28,-0.0 4,-0.4 -0.980 77.4-108.4-161.7 160.4 59.3 44.2 138.3 131 132 A A G > S+ 0 0 11 -2,-0.3 3,-1.9 1,-0.2 -1,-0.1 0.891 114.6 58.2 -60.2 -42.8 57.6 43.0 141.4 132 133 A A G 3 S+ 0 0 42 1,-0.3 35,-0.5 2,-0.1 4,-0.4 0.715 99.9 59.9 -65.6 -18.9 56.4 39.7 139.8 133 134 A E G <> S+ 0 0 37 -3,-0.9 4,-2.6 1,-0.2 -1,-0.3 0.617 80.0 91.1 -78.3 -15.4 60.0 38.8 139.0 134 135 A V H <> S+ 0 0 0 -3,-1.9 4,-2.6 -4,-0.4 5,-0.2 0.898 83.8 48.7 -54.9 -47.1 61.0 38.8 142.6 135 136 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.927 113.4 48.1 -60.7 -41.2 60.3 35.1 143.4 136 137 A H H > S+ 0 0 89 -4,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.914 111.4 50.0 -62.2 -42.8 62.2 34.1 140.3 137 138 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.890 109.9 51.3 -63.6 -37.6 65.1 36.3 141.2 138 139 A M H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.899 107.9 52.5 -64.4 -41.0 65.1 34.8 144.7 139 140 A S H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.937 109.1 49.7 -58.1 -47.5 65.2 31.3 143.1 140 141 A R H X S+ 0 0 90 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.905 110.3 50.9 -56.7 -43.2 68.2 32.4 141.1 141 142 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.930 109.1 50.4 -62.3 -46.5 69.9 33.8 144.3 142 143 A I H X S+ 0 0 2 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.945 116.2 40.7 -57.0 -49.9 69.3 30.5 146.2 143 144 A H H X S+ 0 0 16 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.902 112.4 53.6 -71.9 -39.2 70.8 28.4 143.4 144 145 A M H < S+ 0 0 57 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.893 112.1 46.3 -60.9 -38.5 73.7 30.7 142.6 145 146 A A H < S+ 0 0 0 -4,-2.3 6,-1.5 -5,-0.2 -1,-0.2 0.857 117.8 44.1 -67.1 -34.1 74.7 30.7 146.2 146 147 A S H < S+ 0 0 33 -4,-1.5 4,-0.2 -5,-0.2 -2,-0.2 0.715 90.9 89.7 -91.1 -27.5 74.4 26.9 146.5 147 148 A M S < S- 0 0 53 -4,-2.3 32,-0.1 2,-0.2 4,-0.1 -0.469 91.6 -61.3 -71.3 144.7 76.0 25.6 143.3 148 149 A A S S+ 0 0 34 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.454 127.8 42.1 -64.0 138.1 79.7 24.8 143.4 149 150 A P S S- 0 0 23 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.461 96.4-151.3 -76.9 127.1 81.8 26.9 143.9 150 151 A Q + 0 0 58 -4,-0.2 -4,-0.2 -62,-0.2 -5,-0.1 -0.162 30.7 139.3 -62.9 157.6 79.5 28.1 146.6 151 152 A G - 0 0 2 -6,-1.5 -60,-0.2 -63,-0.2 -66,-0.1 -0.982 49.0 -59.3 178.5 176.1 79.5 31.8 147.5 152 153 A P - 0 0 0 0, 0.0 -29,-3.1 0, 0.0 -28,-0.5 -0.434 43.0-171.7 -76.9 148.6 77.6 34.9 148.5 153 154 A V E -e 92 0B 0 -62,-2.4 -60,-2.5 -31,-0.2 2,-0.4 -0.892 11.1-138.7-135.1 164.3 75.0 36.5 146.2 154 155 A Y E -ef 93 125B 0 -30,-2.3 -28,-2.0 -2,-0.3 2,-0.4 -0.989 14.7-179.2-136.6 130.4 73.0 39.8 146.4 155 156 A L E -ef 94 126B 0 -62,-2.7 -60,-2.4 -2,-0.4 2,-0.5 -0.990 10.0-160.6-131.5 123.4 69.4 40.7 145.7 156 157 A S E -e 95 0B 0 -30,-2.5 -60,-0.2 -2,-0.4 -41,-0.1 -0.891 12.4-171.3-102.3 127.7 68.0 44.2 145.9 157 158 A V E -e 96 0B 2 -62,-2.0 -60,-2.5 -2,-0.5 5,-0.1 -0.950 23.4-128.1-129.0 115.0 64.2 44.4 146.2 158 159 A P E > -e 97 0B 0 0, 0.0 3,-2.1 0, 0.0 4,-0.4 -0.349 27.6-125.8 -54.0 136.4 62.1 47.6 146.1 159 160 A Y G > S+ 0 0 75 -62,-2.1 3,-0.6 1,-0.3 4,-0.3 0.731 104.6 61.0 -67.5 -22.4 59.9 47.7 149.2 160 161 A D G 3 S+ 0 0 35 1,-0.2 3,-0.4 -62,-0.2 4,-0.4 0.585 87.4 76.9 -76.7 -9.3 56.7 48.1 147.3 161 162 A D G X S+ 0 0 0 -3,-2.1 3,-1.3 1,-0.2 -158,-0.4 0.840 79.3 69.4 -68.8 -33.3 57.2 44.8 145.4 162 163 A W T < S+ 0 0 8 -3,-0.6 -158,-2.5 -4,-0.4 -159,-0.3 0.830 98.4 47.0 -60.3 -37.2 56.2 42.5 148.4 163 164 A D T 3 S+ 0 0 103 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.578 92.2 103.1 -83.3 -9.4 52.5 43.4 148.4 164 165 A K S < S- 0 0 96 -3,-1.3 -161,-2.6 -4,-0.4 -160,-0.3 -0.284 85.1 -88.5 -72.2 159.3 52.0 43.0 144.6 165 166 A D B -A 2 0A 132 -163,-0.2 -163,-0.3 -162,-0.1 2,-0.2 -0.451 42.0-133.5 -66.4 134.5 50.4 40.0 143.0 166 167 A A - 0 0 14 -165,-3.1 -34,-0.1 -2,-0.2 -33,-0.1 -0.508 24.8-101.3 -81.7 157.3 52.7 37.1 142.3 167 168 A D > - 0 0 74 -35,-0.5 3,-2.3 -2,-0.2 4,-0.2 -0.683 25.0-139.3 -73.6 124.3 52.8 35.2 139.0 168 169 A P G > S+ 0 0 105 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.830 101.0 68.3 -56.8 -28.7 50.9 32.0 139.5 169 170 A Q G > S+ 0 0 108 1,-0.3 3,-1.4 2,-0.1 4,-0.2 0.573 75.2 86.4 -69.3 -7.0 53.6 30.3 137.4 170 171 A S G X> + 0 0 8 -3,-2.3 3,-2.1 1,-0.2 4,-0.5 0.681 66.5 82.8 -63.4 -15.2 56.1 31.0 140.2 171 172 A H G X4 S+ 0 0 97 -3,-1.7 3,-1.1 1,-0.3 4,-0.5 0.814 77.2 69.1 -61.1 -25.9 54.9 27.7 141.7 172 173 A H G <4 S+ 0 0 114 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.691 93.2 59.8 -64.7 -17.5 57.3 25.9 139.3 173 174 A L G X4 S+ 0 0 18 -3,-2.1 3,-1.3 -4,-0.2 -1,-0.3 0.778 84.9 79.9 -75.0 -29.7 60.2 27.4 141.4 174 175 A F T << S+ 0 0 25 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.1 0.847 101.8 26.1 -56.8 -47.3 59.3 25.9 144.7 175 176 A D T 3 S+ 0 0 108 -4,-0.5 -1,-0.3 -3,-0.1 -2,-0.1 0.183 79.9 143.5-107.2 17.2 60.7 22.4 144.3 176 177 A R < - 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0 0 41 -5,-2.8 3,-0.3 -6,-0.2 -1,-0.2 -0.719 15.1-167.7 -86.3 113.9 110.1 49.0 159.5 470 471 A E + 0 0 165 -2,-0.7 -5,-0.0 1,-0.2 0, 0.0 -0.622 58.5 24.5 -99.7 159.2 110.6 51.6 162.2 471 472 A N S S+ 0 0 163 -2,-0.2 -1,-0.2 1,-0.2 -2,-0.0 0.787 70.8 163.9 62.7 33.1 108.3 54.3 163.5 472 473 A V - 0 0 69 -3,-0.3 3,-0.4 -11,-0.0 -1,-0.2 -0.721 26.0-145.3 -80.3 124.8 105.0 52.7 162.4 473 474 A P + 0 0 107 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.368 67.7 35.3 -82.1 166.4 102.1 54.3 164.2 474 475 A G S S+ 0 0 64 1,-0.1 -2,-0.0 -2,-0.1 0, 0.0 0.642 70.6 120.7 75.3 21.3 98.9 52.8 165.5 475 476 A L + 0 0 20 -3,-0.4 -18,-3.1 -19,-0.1 2,-0.4 0.564 57.4 75.1 -95.5 -9.2 100.1 49.4 166.6 476 477 A D B -S 456 0F 85 -20,-0.2 -20,-0.3 1,-0.0 -21,-0.1 -0.856 48.6-176.4-110.4 140.4 99.1 49.5 170.3 477 478 A V + 0 0 23 -22,-2.2 3,-0.3 -2,-0.4 -22,-0.2 -0.414 23.0 163.6-129.0 57.4 95.5 49.2 171.7 478 479 A P + 0 0 101 0, 0.0 -2,-0.0 0, 0.0 -22,-0.0 -0.241 48.3 44.7 -68.3 161.4 95.9 49.8 175.4 479 480 A G + 0 0 87 1,-0.2 2,-0.5 0, 0.0 0, 0.0 0.798 67.0 136.2 83.6 30.8 93.0 50.6 177.7 480 481 A I - 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