==== 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 4JUA . COMPND 2 MOLECULE: BENZOYLFORMATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR M.J.MCLEISH,H.R.BRODKIN . 525 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21224.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 363 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 81 15.4 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 . 46 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.7 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 5 2 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 0 106 0, 0.0 165,-2.9 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 152.1 49.1 34.9 146.0 2 3 A S B > -A 165 0A 41 163,-0.3 4,-2.7 1,-0.1 163,-0.2 -0.503 360.0-111.5 -86.3 162.8 51.2 37.9 146.8 3 4 A V H > S+ 0 0 0 161,-2.6 4,-2.6 158,-0.4 5,-0.2 0.903 120.8 55.5 -57.2 -40.4 54.9 38.2 146.0 4 5 A H H > S+ 0 0 17 158,-2.5 4,-2.2 160,-0.3 5,-0.2 0.959 111.0 41.9 -54.9 -56.2 55.5 38.2 149.8 5 6 A G H > S+ 0 0 34 157,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.902 115.8 49.3 -61.7 -41.8 53.6 34.9 150.2 6 7 A T H X S+ 0 0 10 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.885 110.4 50.8 -66.6 -38.3 55.1 33.3 147.1 7 8 A T H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.923 110.2 47.4 -69.6 -44.5 58.7 34.2 148.1 8 9 A Y H X S+ 0 0 4 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.884 111.5 52.6 -64.0 -35.0 58.4 32.8 151.6 9 10 A E H X S+ 0 0 53 -4,-1.9 4,-2.8 -5,-0.2 -2,-0.2 0.934 109.2 49.4 -63.9 -43.8 57.0 29.6 150.2 10 11 A L H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.939 111.1 50.2 -57.7 -47.8 59.9 29.4 147.8 11 12 A L H ><>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 3,-0.5 0.953 113.4 44.1 -57.6 -50.6 62.3 29.9 150.7 12 13 A R H ><5S+ 0 0 77 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.900 111.5 53.2 -64.9 -37.6 60.7 27.2 152.8 13 14 A R H 3<5S+ 0 0 101 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.745 108.9 51.6 -67.4 -22.3 60.4 24.8 149.9 14 15 A Q T <<5S- 0 0 44 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.234 126.9-100.2 -97.8 11.5 64.2 25.3 149.3 15 16 A G T < 5S+ 0 0 44 -3,-1.6 2,-0.4 1,-0.3 -3,-0.2 0.542 77.2 135.9 89.2 8.4 65.0 24.6 153.0 16 17 A I < + 0 0 8 -5,-2.7 -1,-0.3 -6,-0.2 -2,-0.1 -0.767 8.7 149.8 -93.5 131.2 65.4 28.1 154.3 17 18 A D + 0 0 64 -2,-0.4 22,-2.3 1,-0.2 2,-0.4 0.318 52.6 68.9-140.2 4.6 63.8 28.8 157.7 18 19 A T E -b 39 0B 5 20,-0.2 47,-0.6 2,-0.0 2,-0.5 -0.993 55.3-159.6-134.6 136.3 66.0 31.5 159.3 19 20 A V E -bc 40 65B 0 20,-2.8 22,-3.0 -2,-0.4 2,-0.5 -0.979 6.3-159.5-115.4 118.3 66.6 35.1 158.4 20 21 A F E +bc 41 66B 2 45,-2.7 47,-2.3 -2,-0.5 2,-0.3 -0.883 38.4 143.4 -91.4 124.2 69.7 36.8 159.7 21 22 A G E -bc 42 67B 0 20,-2.4 22,-1.7 -2,-0.5 47,-0.2 -0.974 56.7-147.4-157.1 165.6 69.2 40.5 159.7 22 23 A N - 0 0 34 45,-1.5 47,-0.2 -2,-0.3 22,-0.1 -0.942 47.3-132.7-133.7 118.3 69.3 44.1 160.8 23 24 A P + 0 0 59 0, 0.0 2,-0.3 0, 0.0 46,-0.1 -0.317 28.8 171.4 -83.4 158.1 66.1 45.8 159.7 24 25 A G >> - 0 0 15 44,-0.1 3,-1.3 -2,-0.1 4,-0.8 -0.896 48.7 -88.0-148.5 179.1 65.4 49.0 158.0 25 26 A S G >4 S+ 0 0 63 1,-0.3 3,-0.8 -2,-0.3 -1,-0.0 0.868 121.6 54.5 -66.2 -36.0 62.5 50.9 156.4 26 27 A N G 34 S+ 0 0 1 1,-0.2 71,-0.3 70,-0.2 -1,-0.3 0.632 110.6 49.9 -70.1 -12.9 62.9 49.4 152.9 27 28 A E G X> S+ 0 0 0 -3,-1.3 4,-2.4 69,-0.2 3,-1.1 0.570 83.7 88.0-101.6 -10.9 62.7 45.9 154.5 28 29 A L H < S+ 0 0 23 -4,-2.4 3,-0.6 3,-0.1 -3,-0.2 0.664 90.1 101.7 -82.3 -18.1 59.5 41.4 157.2 32 33 A K T 3< S+ 0 0 68 -4,-1.9 0, 0.0 1,-0.2 0, 0.0 -0.247 85.8 21.8 -64.9 157.6 55.8 42.1 158.1 33 34 A D T 3 S- 0 0 126 1,-0.2 -1,-0.2 2,-0.0 3,-0.1 0.897 92.0-162.3 50.4 41.2 53.5 39.2 158.6 34 35 A F < - 0 0 56 -3,-0.6 -1,-0.2 1,-0.1 -3,-0.1 -0.308 25.3-102.0 -59.3 131.2 56.7 37.3 159.3 35 36 A P > - 0 0 18 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.272 19.1-134.0 -63.4 141.9 56.0 33.5 158.9 36 37 A E T 3 S+ 0 0 199 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.707 104.6 57.2 -68.6 -20.3 55.5 31.7 162.2 37 38 A D T 3 S+ 0 0 89 2,-0.0 -1,-0.3 -19,-0.0 2,-0.3 0.485 95.1 83.2 -87.1 -5.0 57.7 28.8 161.0 38 39 A F < - 0 0 14 -3,-1.6 2,-0.4 -20,-0.0 -20,-0.2 -0.697 68.7-142.1 -97.3 152.6 60.7 31.2 160.3 39 40 A R E -b 18 0B 104 -22,-2.3 -20,-2.8 -2,-0.3 2,-0.5 -0.900 7.1-154.2-104.5 142.0 63.3 32.4 162.8 40 41 A Y E -b 19 0B 50 -2,-0.4 2,-0.6 -22,-0.2 -20,-0.2 -0.985 5.8-163.6-113.8 125.7 64.6 36.0 162.7 41 42 A I E -b 20 0B 7 -22,-3.0 -20,-2.4 -2,-0.5 2,-0.3 -0.934 11.1-155.7-110.4 108.7 68.1 36.5 164.2 42 43 A L E -b 21 0B 42 -2,-0.6 2,-0.3 -22,-0.2 -20,-0.2 -0.669 13.0-178.6 -83.6 136.0 68.8 40.1 164.9 43 44 A A - 0 0 0 -22,-1.7 393,-0.1 -2,-0.3 6,-0.1 -0.947 30.1-127.6-127.7 158.6 72.4 41.5 165.1 44 45 A L S S+ 0 0 67 -2,-0.3 2,-0.3 391,-0.3 392,-0.1 0.547 89.2 25.7 -87.1 -11.6 73.2 45.1 165.9 45 46 A Q S >> S- 0 0 63 -24,-0.1 4,-1.9 388,-0.1 3,-0.6 -0.980 79.7-118.1-149.1 153.6 75.5 45.9 162.9 46 47 A E H 3> S+ 0 0 16 -2,-0.3 4,-2.5 1,-0.3 5,-0.2 0.760 110.1 60.0 -74.1 -25.9 75.7 44.3 159.5 47 48 A A H 3> S+ 0 0 18 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.885 110.7 46.6 -61.6 -35.6 79.2 42.9 159.7 48 49 A C H <> S+ 0 0 0 -3,-0.6 4,-2.6 2,-0.2 5,-0.2 0.914 109.2 52.9 -70.9 -45.4 77.9 40.9 162.6 49 50 A V H X S+ 0 0 2 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.951 115.0 41.0 -51.8 -52.7 74.7 39.9 160.7 50 51 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.908 113.1 53.6 -70.7 -38.7 76.7 38.5 157.9 51 52 A G H X S+ 0 0 2 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.910 110.7 47.0 -59.1 -44.1 79.4 36.9 160.1 52 53 A I H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.952 113.8 46.9 -61.2 -49.3 76.8 35.1 162.1 53 54 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.878 111.1 53.6 -60.3 -38.6 75.0 33.9 158.9 54 55 A D H X S+ 0 0 1 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.949 109.3 46.2 -63.3 -50.9 78.4 32.9 157.5 55 56 A G H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.918 113.7 50.9 -55.9 -43.5 79.3 30.7 160.5 56 57 A Y H X S+ 0 0 20 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.932 112.8 44.8 -59.9 -47.6 75.8 29.2 160.4 57 58 A A H X>S+ 0 0 1 -4,-2.8 4,-1.5 2,-0.2 5,-1.1 0.909 114.0 48.7 -64.2 -45.2 76.1 28.4 156.6 58 59 A Q H <5S+ 0 0 7 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.928 117.3 40.6 -64.2 -43.8 79.7 27.0 156.9 59 60 A A H <5S+ 0 0 4 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.871 119.5 44.6 -73.1 -37.1 78.8 24.7 159.9 60 61 A S H <5S- 0 0 36 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.634 98.5-136.5 -80.1 -16.2 75.4 23.7 158.5 61 62 A R T <5S+ 0 0 80 -4,-1.5 -3,-0.2 1,-0.2 -4,-0.1 0.893 71.7 93.8 57.0 43.8 76.7 23.0 155.0 62 63 A K S - 0 0 22 -2,-0.2 4,-2.6 -47,-0.2 5,-0.3 -0.737 60.6 -81.2 -97.7 96.1 69.0 47.7 155.0 70 71 A S H > S- 0 0 4 -2,-1.0 4,-2.1 26,-0.4 5,-0.2 0.029 88.9 -29.1 49.8-150.7 69.6 49.3 151.5 71 72 A A H > S+ 0 0 33 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.887 137.8 50.2 -68.1 -42.4 73.1 50.6 150.5 72 73 A A H > S+ 0 0 75 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.910 113.4 46.3 -67.9 -40.1 74.4 51.5 154.0 73 74 A G H X S+ 0 0 2 -4,-2.6 4,-0.8 2,-0.2 -1,-0.2 0.928 115.3 46.6 -64.9 -45.2 73.5 48.1 155.5 74 75 A T H >< S+ 0 0 0 -4,-2.1 3,-1.2 -5,-0.3 4,-0.3 0.947 112.3 51.3 -59.8 -46.9 74.9 46.3 152.5 75 76 A G H >< S+ 0 0 32 -4,-3.2 3,-1.8 1,-0.3 4,-0.3 0.893 103.0 57.3 -59.9 -42.2 78.0 48.5 152.7 76 77 A N H 3< S+ 0 0 79 -4,-2.4 -1,-0.3 1,-0.3 3,-0.2 0.739 108.8 49.9 -60.0 -22.1 78.6 47.8 156.4 77 78 A A T S+ 0 0 35 -3,-1.8 4,-1.5 -4,-0.3 -1,-0.2 0.822 80.2 53.6 -71.6 -27.6 81.2 44.2 152.7 79 80 A G H > S+ 0 0 49 -4,-0.3 4,-1.4 -3,-0.2 -1,-0.2 0.925 110.1 49.6 -65.3 -41.7 84.2 43.3 154.8 80 81 A A H > S+ 0 0 13 -4,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.887 107.1 55.4 -62.6 -37.0 82.3 40.2 155.9 81 82 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.840 99.1 61.4 -66.2 -30.5 81.5 39.4 152.3 82 83 A S H X S+ 0 0 33 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.939 107.5 43.8 -62.5 -42.2 85.2 39.5 151.4 83 84 A N H X S+ 0 0 5 -4,-1.4 4,-1.8 1,-0.2 -2,-0.2 0.941 111.6 54.0 -62.9 -45.9 85.7 36.6 153.8 84 85 A A H <>S+ 0 0 0 -4,-2.2 5,-2.4 1,-0.2 4,-0.4 0.857 105.0 54.6 -59.4 -36.3 82.6 34.8 152.5 85 86 A W H ><5S+ 0 0 72 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.949 110.3 45.5 -59.9 -49.9 83.9 35.0 149.0 86 87 A N H 3<5S+ 0 0 30 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.748 114.0 48.4 -68.6 -25.2 87.1 33.3 149.9 87 88 A S T 3<5S- 0 0 5 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.383 106.6-124.1 -94.2 4.3 85.4 30.6 152.0 88 89 A H T < 5 + 0 0 15 -3,-1.2 63,-0.2 -4,-0.4 -3,-0.2 0.904 45.1 179.5 54.4 42.4 82.9 29.7 149.2 89 90 A S < - 0 0 1 -5,-2.4 2,-1.6 -6,-0.1 -1,-0.2 -0.635 30.7-130.4 -81.6 128.0 80.1 30.4 151.8 90 91 A P + 0 0 5 0, 0.0 -26,-2.1 0, 0.0 2,-0.5 -0.556 44.2 162.6 -79.5 89.0 76.6 30.0 150.3 91 92 A L E -d 64 0B 0 -2,-1.6 62,-2.4 -28,-0.2 2,-0.8 -0.927 31.8-155.7-114.9 128.5 75.0 33.3 151.5 92 93 A I E -de 65 153B 0 -28,-3.0 -26,-2.9 -2,-0.5 2,-0.7 -0.877 18.7-167.1-101.1 102.0 71.9 34.8 150.0 93 94 A V E -de 66 154B 0 60,-2.5 62,-2.5 -2,-0.8 2,-0.4 -0.834 7.2-178.2 -97.3 115.4 72.2 38.5 150.8 94 95 A T E -de 67 155B 7 -28,-2.5 -26,-2.8 -2,-0.7 2,-0.3 -0.865 3.0-176.0-110.6 147.3 69.0 40.5 150.3 95 96 A A E -de 68 156B 2 60,-2.1 62,-2.3 -2,-0.4 2,-0.2 -0.998 25.4-116.8-140.1 142.5 68.6 44.2 150.7 96 97 A G E - e 0 157B 3 -28,-1.5 -26,-0.4 -2,-0.3 2,-0.3 -0.549 26.7-160.2 -81.1 144.7 65.6 46.4 150.5 97 98 A Q E - e 0 158B 2 60,-2.5 62,-2.1 -71,-0.3 13,-0.2 -0.752 30.0 -87.3-116.0 159.4 65.3 49.1 147.9 98 99 A Q - 0 0 24 11,-0.3 62,-0.1 -2,-0.3 -1,-0.1 -0.194 60.9 -78.5 -58.7 159.8 63.1 52.3 147.7 99 100 A T >> - 0 0 20 59,-0.2 3,-2.4 60,-0.1 4,-0.7 -0.343 45.5-113.9 -59.0 143.3 59.7 52.0 146.2 100 101 A R H >> S+ 0 0 71 1,-0.3 3,-0.9 2,-0.2 4,-0.5 0.843 114.8 60.2 -54.5 -34.1 59.9 52.0 142.5 101 102 A A H 34 S+ 0 0 89 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.675 110.1 41.3 -68.1 -15.4 58.1 55.3 142.3 102 103 A M H <4>S+ 0 0 80 -3,-2.4 5,-1.7 2,-0.1 4,-0.4 0.383 89.6 87.6-113.0 0.1 60.9 57.0 144.3 103 104 A I H X<5S+ 0 0 43 -3,-0.9 3,-1.2 -4,-0.7 -2,-0.1 0.911 83.9 56.3 -68.0 -41.0 64.0 55.4 142.8 104 105 A G T 3<5S+ 0 0 74 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.873 107.2 46.8 -60.7 -42.2 64.4 58.0 140.0 105 106 A V T 3 5S- 0 0 112 -4,-0.2 -1,-0.3 1,-0.0 -2,-0.2 0.564 110.6-124.0 -76.2 -8.1 64.5 61.0 142.2 106 107 A E T < 5 - 0 0 125 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.969 36.5-166.0 57.3 56.5 67.0 59.2 144.5 107 108 A A > < - 0 0 21 -5,-1.7 3,-2.1 1,-0.2 -9,-0.1 -0.229 39.9 -69.2 -57.0 157.0 65.0 59.6 147.6 108 109 A L T 3 S+ 0 0 151 1,-0.3 -1,-0.2 3,-0.0 3,-0.1 -0.278 126.3 27.5 -49.0 138.2 66.7 58.8 150.9 109 110 A L T 3 S+ 0 0 66 1,-0.3 2,-0.4 -3,-0.1 -11,-0.3 0.452 82.2 142.7 79.0 5.6 67.5 55.1 151.1 110 111 A T < - 0 0 18 -3,-2.1 2,-1.0 -13,-0.2 -1,-0.3 -0.642 48.7-140.3 -70.6 129.6 67.7 54.6 147.4 111 112 A N > - 0 0 5 -2,-0.4 3,-1.0 -3,-0.1 2,-0.3 -0.830 23.0-145.6 -92.2 100.5 70.4 52.1 146.7 112 113 A V T 3 S- 0 0 78 -2,-1.0 5,-0.1 1,-0.3 4,-0.1 -0.515 75.5 -6.6 -76.0 132.8 72.0 53.6 143.6 113 114 A D T >> S- 0 0 112 -2,-0.3 3,-1.8 1,-0.1 4,-0.7 0.918 87.4-177.4 52.5 46.5 73.3 51.2 141.0 114 115 A A G X4 + 0 0 6 -3,-1.0 3,-1.2 1,-0.3 -2,-0.1 0.794 67.7 57.5 -52.9 -45.3 72.5 48.5 143.6 115 116 A A G 34 S+ 0 0 21 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.779 105.4 52.9 -62.8 -25.0 73.8 45.5 141.7 116 117 A N G X4 S+ 0 0 72 -3,-1.8 3,-0.6 1,-0.2 -1,-0.3 0.702 88.7 82.6 -80.0 -19.5 77.2 47.0 141.4 117 118 A L T << S+ 0 0 60 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.924 95.9 36.1 -54.8 -53.7 77.6 47.7 145.1 118 119 A P T > S+ 0 0 0 0, 0.0 3,-2.3 0, 0.0 -1,-0.2 0.577 95.4 147.3 -81.7 -5.7 78.7 44.3 146.4 119 120 A R T < + 0 0 118 -3,-0.6 4,-0.1 1,-0.3 -3,-0.0 -0.460 55.2 25.6 -68.0 143.9 80.9 43.5 143.3 120 121 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 -0.860 115.3 65.6 -97.6 28.0 83.4 41.9 143.1 121 122 A L S < S+ 0 0 36 -3,-2.3 2,-0.3 30,-0.0 -2,-0.2 0.261 92.1 68.1 -98.3 12.2 82.6 39.9 146.2 122 123 A V - 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0 0 1 -6,-1.5 -60,-0.1 -63,-0.2 -66,-0.1 -0.982 48.5 -61.1 179.9 173.7 79.5 31.7 147.3 152 153 A P - 0 0 0 0, 0.0 -29,-3.2 0, 0.0 -28,-0.5 -0.409 42.4-171.8 -75.6 148.1 77.6 34.9 148.3 153 154 A V E -e 92 0B 0 -62,-2.4 -60,-2.5 -31,-0.2 2,-0.4 -0.903 11.1-139.4-133.8 164.1 75.0 36.4 146.1 154 155 A Y E -ef 93 125B 0 -30,-2.3 -28,-2.0 -2,-0.3 2,-0.4 -0.990 14.9-179.8-136.4 131.5 73.0 39.7 146.2 155 156 A L E -ef 94 126B 0 -62,-2.5 -60,-2.1 -2,-0.4 2,-0.4 -0.990 9.5-161.8-132.5 123.3 69.4 40.6 145.5 156 157 A S E -e 95 0B 0 -30,-2.4 -60,-0.2 -2,-0.4 -41,-0.1 -0.893 11.1-169.4-104.1 129.2 67.9 44.1 145.8 157 158 A V E -e 96 0B 3 -62,-2.3 -60,-2.5 -2,-0.4 5,-0.1 -0.953 22.8-127.6-128.6 116.1 64.1 44.4 146.1 158 159 A P E > -e 97 0B 0 0, 0.0 3,-2.1 0, 0.0 4,-0.4 -0.361 28.1-126.2 -55.3 135.3 62.0 47.6 145.8 159 160 A Y G > S+ 0 0 81 -62,-2.1 3,-0.7 1,-0.3 4,-0.3 0.722 103.9 62.0 -67.1 -22.0 59.8 47.6 148.9 160 161 A D G 3 S+ 0 0 35 1,-0.2 3,-0.4 -62,-0.1 4,-0.3 0.603 87.3 76.7 -76.1 -8.7 56.5 48.0 147.0 161 162 A D G X S+ 0 0 0 -3,-2.1 3,-1.4 1,-0.2 -158,-0.4 0.846 79.2 69.5 -69.9 -33.1 57.1 44.7 145.2 162 163 A W T < S+ 0 0 10 -3,-0.7 -158,-2.5 -4,-0.4 -159,-0.3 0.824 98.5 46.8 -61.7 -35.9 56.1 42.5 148.2 163 164 A D T 3 S+ 0 0 102 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.560 92.0 103.3 -84.3 -7.1 52.4 43.4 148.2 164 165 A K S < S- 0 0 95 -3,-1.4 -161,-2.6 -4,-0.3 -160,-0.3 -0.311 84.9 -88.7 -74.1 159.5 51.9 42.9 144.4 165 166 A D B -A 2 0A 135 -163,-0.2 -163,-0.3 -162,-0.1 2,-0.2 -0.447 42.3-133.0 -65.8 134.5 50.3 39.9 142.9 166 167 A A - 0 0 13 -165,-2.9 -34,-0.1 -2,-0.2 -33,-0.1 -0.511 24.9-100.8 -81.7 157.3 52.6 37.0 142.1 167 168 A D > - 0 0 75 -35,-0.4 3,-2.3 -2,-0.2 4,-0.2 -0.667 25.3-139.0 -72.7 124.6 52.7 35.2 138.8 168 169 A P G > S+ 0 0 104 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.820 100.9 68.0 -57.3 -27.4 50.8 31.9 139.3 169 170 A Q G > S+ 0 0 108 1,-0.3 3,-1.4 2,-0.1 4,-0.2 0.560 75.0 86.9 -70.3 -6.7 53.5 30.2 137.2 170 171 A S G X + 0 0 9 -3,-2.3 3,-2.1 1,-0.2 4,-0.5 0.680 66.3 82.9 -64.3 -15.8 56.0 30.9 140.0 171 172 A H G X S+ 0 0 97 -3,-1.5 3,-1.2 1,-0.3 4,-0.5 0.808 77.1 69.0 -60.3 -25.8 54.9 27.6 141.6 172 173 A H G < S+ 0 0 116 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.705 93.2 59.9 -65.7 -17.8 57.3 25.8 139.2 173 174 A L G X S+ 0 0 18 -3,-2.1 3,-1.3 -4,-0.2 -1,-0.3 0.777 85.0 79.8 -73.5 -29.0 60.1 27.3 141.2 174 175 A F T < S+ 0 0 25 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.1 0.847 101.6 26.4 -58.2 -45.5 59.3 25.8 144.5 175 176 A D T 3 S+ 0 0 105 -4,-0.5 -1,-0.3 -3,-0.2 -2,-0.1 0.203 79.8 144.3-108.0 16.1 60.7 22.3 144.2 176 177 A R < - 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