==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 23-FEB-13 4JD5 . COMPND 2 MOLECULE: BENZOYLFORMATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR W.R.P.NOVAK,F.H.ANDREWS,A.R.TOM,P.R.GUNDERMAN,M.J.MCLEISH . 525 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20921.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 361 68.8 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 . 41 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 28.6 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 2 3 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 0 106 0, 0.0 165,-3.0 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 152.5 -73.0 -12.5 8.9 2 3 A S B > -A 165 0A 41 163,-0.3 4,-2.5 1,-0.1 163,-0.2 -0.510 360.0-113.4 -82.3 162.9 -70.8 -9.5 9.7 3 4 A V H > S+ 0 0 0 161,-2.5 4,-2.6 158,-0.4 5,-0.2 0.916 120.4 55.3 -58.3 -40.7 -67.1 -9.3 8.9 4 5 A H H > S+ 0 0 19 158,-2.6 4,-2.2 160,-0.3 5,-0.2 0.959 110.9 42.3 -56.3 -56.1 -66.6 -9.4 12.8 5 6 A G H > S+ 0 0 33 157,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.911 115.8 49.1 -61.4 -39.9 -68.5 -12.7 13.1 6 7 A T H X S+ 0 0 10 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.901 110.7 50.3 -67.7 -37.8 -66.9 -14.2 10.1 7 8 A T H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.922 110.5 47.2 -71.4 -44.9 -63.4 -13.3 11.1 8 9 A Y H X S+ 0 0 3 -4,-2.2 4,-2.6 -5,-0.2 5,-0.2 0.888 112.1 52.4 -64.0 -34.2 -63.7 -14.7 14.6 9 10 A E H X S+ 0 0 51 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.935 109.6 48.9 -64.7 -45.1 -65.2 -17.9 13.1 10 11 A L H X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.935 111.4 50.1 -56.8 -45.8 -62.2 -18.2 10.8 11 12 A L H ><>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 3,-0.6 0.952 113.3 44.0 -60.1 -51.4 -59.8 -17.7 13.6 12 13 A R H ><5S+ 0 0 77 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.904 112.0 53.1 -64.0 -36.6 -61.4 -20.4 15.8 13 14 A R H 3<5S+ 0 0 103 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.760 108.9 51.2 -69.3 -21.6 -61.7 -22.8 12.9 14 15 A Q T <<5S- 0 0 44 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.236 126.8-100.3 -97.6 10.4 -58.0 -22.3 12.3 15 16 A G T < 5S+ 0 0 44 -3,-1.6 2,-0.4 1,-0.3 -3,-0.2 0.530 77.3 135.5 90.3 8.6 -57.1 -23.0 15.9 16 17 A I < + 0 0 9 -5,-2.7 -1,-0.3 -6,-0.2 -2,-0.1 -0.756 9.2 149.9 -95.7 130.9 -56.7 -19.5 17.3 17 18 A D + 0 0 66 -2,-0.4 22,-2.3 1,-0.2 2,-0.4 0.290 52.3 69.8-140.3 4.7 -58.3 -18.8 20.6 18 19 A T E -b 39 0B 15 20,-0.2 47,-0.6 2,-0.0 2,-0.5 -0.995 54.9-160.0-134.1 136.9 -56.1 -16.1 22.2 19 20 A V E -bc 40 65B 0 20,-2.9 22,-3.0 -2,-0.4 2,-0.5 -0.978 6.1-159.7-116.1 121.1 -55.6 -12.4 21.4 20 21 A F E +bc 41 66B 2 45,-2.7 47,-2.4 -2,-0.5 2,-0.3 -0.875 38.0 147.5 -93.9 123.5 -52.4 -10.8 22.7 21 22 A G E -bc 42 67B 0 20,-2.5 22,-1.8 -2,-0.5 47,-0.2 -0.974 55.7-151.3-154.7 164.2 -53.1 -7.0 22.6 22 23 A N - 0 0 33 45,-1.5 47,-0.2 -2,-0.3 22,-0.1 -0.944 47.3-134.6-134.9 117.8 -52.8 -3.5 23.8 23 24 A P + 0 0 60 0, 0.0 2,-0.3 0, 0.0 46,-0.1 -0.300 28.5 171.0 -82.2 161.3 -56.1 -1.8 22.7 24 25 A G >> - 0 0 18 44,-0.1 3,-1.2 -2,-0.1 4,-0.7 -0.904 49.7 -89.7-152.1 179.7 -56.8 1.5 21.0 25 26 A S G >4 S+ 0 0 62 -2,-0.3 3,-0.7 1,-0.3 44,-0.0 0.847 120.9 58.0 -72.4 -28.3 -59.8 3.2 19.5 26 27 A N G 34 S+ 0 0 0 1,-0.2 71,-0.3 70,-0.2 -1,-0.3 0.680 110.2 48.0 -68.6 -14.6 -59.3 1.8 15.9 27 28 A E G X> S+ 0 0 2 -3,-1.2 4,-2.3 69,-0.2 3,-1.1 0.550 84.8 88.4-102.3 -12.7 -59.5 -1.7 17.5 28 29 A L H < S+ 0 0 23 -4,-2.3 3,-0.7 3,-0.1 -3,-0.2 0.668 90.7 101.8 -82.2 -19.4 -62.7 -6.2 20.2 32 33 A K T 3< S+ 0 0 68 -4,-2.1 0, 0.0 1,-0.3 0, 0.0 -0.214 86.2 21.0 -62.8 155.2 -66.3 -5.5 21.0 33 34 A D T 3 S- 0 0 131 1,-0.2 -1,-0.3 2,-0.0 3,-0.1 0.887 91.8-162.3 53.2 41.9 -68.6 -8.4 21.6 34 35 A F < - 0 0 57 -3,-0.7 -1,-0.2 1,-0.1 -3,-0.1 -0.281 24.8-102.9 -61.4 133.9 -65.4 -10.4 22.2 35 36 A P > - 0 0 19 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.281 17.5-131.3 -69.0 146.5 -66.3 -14.1 21.9 36 37 A E T 3 S+ 0 0 201 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.741 105.3 56.8 -67.9 -21.3 -66.7 -16.1 25.1 37 38 A D T 3 S+ 0 0 88 2,-0.0 -1,-0.3 -19,-0.0 2,-0.3 0.508 96.2 80.4 -89.0 -2.2 -64.4 -18.8 23.8 38 39 A F < - 0 0 15 -3,-1.7 2,-0.4 -20,-0.0 -20,-0.2 -0.673 67.2-144.5 -99.5 156.8 -61.5 -16.5 23.3 39 40 A R E -b 18 0B 114 -22,-2.3 -20,-2.9 -2,-0.3 2,-0.5 -0.929 5.4-151.6-113.5 143.9 -59.0 -15.1 25.8 40 41 A Y E -b 19 0B 47 -2,-0.4 2,-0.6 -22,-0.2 -20,-0.2 -0.978 5.5-162.5-113.4 127.3 -57.5 -11.6 25.7 41 42 A I E -b 20 0B 3 -22,-3.0 -20,-2.5 -2,-0.5 2,-0.3 -0.945 12.4-155.6-111.0 108.3 -54.0 -11.1 27.2 42 43 A L E -b 21 0B 41 -2,-0.6 2,-0.3 -22,-0.2 -20,-0.2 -0.675 12.7-177.7 -83.7 135.3 -53.3 -7.4 27.9 43 44 A A - 0 0 0 -22,-1.8 393,-0.1 -2,-0.3 6,-0.1 -0.942 29.7-128.3-126.6 156.8 -49.8 -6.1 28.1 44 45 A L S S+ 0 0 68 -2,-0.3 2,-0.3 391,-0.3 -22,-0.1 0.550 89.6 26.9 -84.6 -11.5 -49.0 -2.4 28.9 45 46 A Q S >> S- 0 0 62 -24,-0.1 4,-2.0 388,-0.1 3,-0.6 -0.986 79.2-119.9-148.3 151.5 -46.6 -1.7 25.9 46 47 A E H 3> S+ 0 0 16 -2,-0.3 4,-2.6 1,-0.3 5,-0.3 0.790 109.6 59.9 -73.3 -26.3 -46.5 -3.3 22.4 47 48 A A H 3> S+ 0 0 19 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.877 111.1 46.3 -61.7 -35.8 -42.9 -4.7 22.6 48 49 A C H <> S+ 0 0 0 -3,-0.6 4,-2.7 2,-0.2 5,-0.3 0.905 109.4 52.8 -70.8 -44.5 -44.3 -6.6 25.6 49 50 A V H X S+ 0 0 2 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.952 115.2 41.1 -53.2 -51.5 -47.4 -7.7 23.7 50 51 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.908 113.5 52.9 -70.3 -40.6 -45.4 -9.1 20.8 51 52 A G H X S+ 0 0 2 -4,-2.2 4,-2.6 -5,-0.3 5,-0.2 0.908 111.0 47.2 -59.6 -43.9 -42.7 -10.6 23.1 52 53 A I H X S+ 0 0 2 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.949 114.0 46.8 -59.8 -50.2 -45.4 -12.5 25.1 53 54 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.3 -2,-0.2 0.883 111.2 53.6 -58.7 -37.6 -47.1 -13.7 21.9 54 55 A D H X S+ 0 0 1 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.947 109.5 45.9 -66.4 -49.4 -43.7 -14.7 20.4 55 56 A G H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.926 114.1 50.7 -58.7 -40.9 -42.8 -16.9 23.5 56 57 A Y H X S+ 0 0 30 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.938 113.1 44.5 -61.1 -48.7 -46.3 -18.4 23.3 57 58 A A H X>S+ 0 0 1 -4,-2.8 4,-1.3 2,-0.2 5,-1.1 0.905 114.1 49.2 -63.4 -43.7 -46.0 -19.2 19.6 58 59 A Q H <5S+ 0 0 7 -4,-2.9 -2,-0.2 2,-0.2 -1,-0.2 0.930 117.0 40.6 -65.9 -41.6 -42.4 -20.6 19.9 59 60 A A H <5S+ 0 0 3 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.875 120.3 43.1 -74.9 -36.4 -43.3 -22.9 22.8 60 61 A S H <5S- 0 0 36 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.586 99.3-136.4 -84.7 -11.4 -46.7 -24.0 21.5 61 62 A R T <5S+ 0 0 77 -4,-1.3 -3,-0.2 1,-0.2 -4,-0.1 0.882 70.7 95.7 54.1 46.2 -45.4 -24.5 18.0 62 63 A K S > - d 0 96B 32 -2,-0.3 4,-2.8 26,-0.2 5,-0.5 -0.772 58.1 -80.0 -97.8 106.0 -53.1 0.1 17.7 70 71 A S H >5S- 0 0 4 -2,-0.8 4,-1.9 26,-0.7 5,-0.2 0.102 89.3 -30.1 48.6-149.3 -52.4 1.7 14.4 71 72 A A H >5S+ 0 0 33 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.890 137.4 50.7 -72.6 -41.5 -48.9 3.0 13.5 72 73 A A H >5S+ 0 0 69 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.905 114.2 44.4 -66.6 -41.1 -47.7 4.0 17.0 73 74 A G H X5S+ 0 0 1 -4,-2.8 4,-0.9 2,-0.2 -3,-0.2 0.924 116.4 46.4 -68.4 -46.0 -48.6 0.6 18.4 74 75 A T H ><< S+ 0 0 33 -4,-3.1 3,-1.8 1,-0.3 4,-0.4 0.899 103.6 56.2 -61.4 -40.5 -44.1 0.9 15.7 76 77 A N H 3< S+ 0 0 79 -4,-2.3 -1,-0.3 1,-0.3 3,-0.3 0.754 109.4 50.3 -60.9 -22.7 -43.6 0.3 19.4 77 78 A A T S+ 0 0 35 -3,-1.8 4,-1.6 -4,-0.3 -1,-0.2 0.837 79.7 52.5 -70.0 -34.3 -40.9 -3.3 15.7 79 80 A G H > S+ 0 0 48 -4,-0.4 4,-1.3 -3,-0.3 -1,-0.2 0.910 110.4 50.4 -63.2 -41.1 -37.9 -4.3 17.7 80 81 A A H > S+ 0 0 13 -4,-0.2 4,-2.2 1,-0.2 3,-0.3 0.899 107.1 54.7 -62.3 -37.1 -39.8 -7.4 18.9 81 82 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.844 99.8 61.0 -65.8 -30.9 -40.7 -8.1 15.2 82 83 A S H X S+ 0 0 31 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.897 108.2 43.3 -63.7 -38.1 -36.9 -8.1 14.4 83 84 A N H X S+ 0 0 4 -4,-1.3 4,-2.0 -3,-0.3 -2,-0.2 0.933 112.3 53.5 -68.2 -42.7 -36.4 -11.0 16.8 84 85 A A H <>S+ 0 0 0 -4,-2.2 5,-2.5 1,-0.2 4,-0.4 0.854 105.2 54.7 -62.7 -35.5 -39.5 -12.8 15.5 85 86 A W H ><5S+ 0 0 77 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.949 111.1 44.8 -61.5 -48.5 -38.3 -12.5 11.9 86 87 A N H 3<5S+ 0 0 31 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.808 114.0 48.7 -68.0 -29.2 -35.0 -14.3 12.9 87 88 A S T 3<5S- 0 0 6 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.396 106.9-124.0 -90.1 5.2 -36.7 -17.0 15.0 88 89 A H T < 5 + 0 0 16 -3,-1.1 -3,-0.2 -4,-0.4 63,-0.2 0.904 45.0 179.8 54.2 41.9 -39.2 -17.8 12.2 89 90 A S < - 0 0 0 -5,-2.5 2,-1.6 -6,-0.1 -1,-0.2 -0.628 30.5-130.7 -82.8 128.3 -42.0 -17.1 14.8 90 91 A P + 0 0 4 0, 0.0 -26,-2.1 0, 0.0 2,-0.5 -0.551 44.4 162.8 -80.6 88.2 -45.5 -17.5 13.3 91 92 A L E -d 64 0B 0 -2,-1.6 62,-2.4 -28,-0.2 2,-0.8 -0.926 31.9-156.2-114.1 129.0 -47.1 -14.3 14.4 92 93 A I E -de 65 153B 0 -28,-2.9 -26,-3.1 -2,-0.5 2,-0.7 -0.883 18.8-167.4-102.4 102.0 -50.3 -12.8 13.0 93 94 A V E -de 66 154B 0 60,-2.6 62,-2.6 -2,-0.8 2,-0.4 -0.845 6.6-177.5 -98.2 114.6 -50.0 -9.1 13.7 94 95 A T E -de 67 155B 7 -28,-2.5 -26,-2.9 -2,-0.7 2,-0.4 -0.874 2.6-174.5-109.6 146.2 -53.2 -7.1 13.2 95 96 A A E -de 68 156B 2 60,-2.2 62,-2.3 -2,-0.4 2,-0.2 -1.000 24.2-119.0-138.0 141.6 -53.5 -3.3 13.7 96 97 A G E -de 69 157B 3 -28,-1.7 -26,-0.7 -2,-0.4 2,-0.3 -0.554 26.7-160.7 -82.8 144.2 -56.5 -1.1 13.5 97 98 A Q E - e 0 158B 2 60,-2.5 62,-2.2 -71,-0.3 13,-0.2 -0.730 29.0 -87.2-113.3 162.2 -56.8 1.6 10.9 98 99 A Q - 0 0 18 11,-0.3 62,-0.2 -2,-0.3 -1,-0.2 -0.162 61.5 -76.3 -58.7 162.6 -58.9 4.7 10.8 99 100 A T >> - 0 0 22 59,-0.2 3,-2.2 60,-0.1 4,-0.9 -0.333 45.8-115.0 -60.8 146.6 -62.4 4.5 9.2 100 101 A R H >> S+ 0 0 72 1,-0.3 3,-0.8 2,-0.2 4,-0.5 0.856 111.8 64.7 -57.4 -34.0 -62.1 4.4 5.4 101 102 A A H 34 S+ 0 0 91 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.680 110.2 34.9 -67.6 -16.4 -63.9 7.8 5.1 102 103 A M H <>>S+ 0 0 79 -3,-2.2 5,-1.5 2,-0.1 4,-0.8 0.433 87.0 94.4-117.3 5.8 -61.1 9.7 6.9 103 104 A I H X<5S+ 0 0 43 -4,-0.9 3,-1.0 -3,-0.8 -2,-0.1 0.924 85.4 54.5 -56.4 -42.8 -58.0 7.8 5.7 104 105 A G T 3<5S+ 0 0 76 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.852 107.2 47.6 -62.6 -37.9 -57.4 10.3 2.9 105 106 A V T 345S- 0 0 113 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.2 0.623 110.5-124.3 -78.7 -7.0 -57.5 13.4 5.1 106 107 A E T <<5 - 0 0 122 -3,-1.0 -3,-0.2 -4,-0.8 -2,-0.1 0.964 35.4-165.1 55.9 58.5 -55.0 11.6 7.5 107 108 A A > < - 0 0 20 -5,-1.5 3,-2.0 1,-0.2 -9,-0.1 -0.224 40.0 -70.9 -55.9 156.5 -57.2 12.0 10.6 108 109 A L T 3 S+ 0 0 146 1,-0.3 -1,-0.2 3,-0.0 3,-0.1 -0.291 125.7 27.8 -48.0 137.8 -55.4 11.4 13.9 109 110 A L T 3 S+ 0 0 58 1,-0.3 2,-0.4 -3,-0.1 -11,-0.3 0.456 83.1 143.0 79.5 7.3 -54.7 7.6 14.2 110 111 A T < - 0 0 18 -3,-2.0 2,-1.0 -13,-0.2 -1,-0.3 -0.614 48.4-140.8 -73.2 131.9 -54.4 7.0 10.5 111 112 A N > - 0 0 3 -2,-0.4 3,-1.0 -3,-0.1 2,-0.3 -0.807 23.7-147.1 -93.7 98.9 -51.7 4.5 9.8 112 113 A V T 3 S- 0 0 75 -2,-1.0 5,-0.1 1,-0.3 4,-0.0 -0.521 74.7 -5.7 -76.5 133.4 -50.2 6.0 6.6 113 114 A D T >> S- 0 0 109 -2,-0.3 3,-1.8 1,-0.1 4,-0.6 0.909 87.6-177.5 54.3 44.6 -48.8 3.7 4.0 114 115 A A G X4 + 0 0 6 -3,-1.0 3,-1.4 1,-0.3 -2,-0.1 0.798 67.5 56.1 -51.6 -45.9 -49.5 1.0 6.6 115 116 A A G 34 S+ 0 0 20 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.797 105.1 54.5 -64.6 -25.3 -48.2 -2.1 4.8 116 117 A N G <4 S+ 0 0 71 -3,-1.8 3,-0.3 1,-0.2 -1,-0.3 0.706 89.9 79.8 -77.0 -19.4 -44.8 -0.5 4.4 117 118 A L S << S+ 0 0 62 -3,-1.4 -2,-0.2 -4,-0.6 -1,-0.2 0.946 98.3 34.8 -59.8 -53.9 -44.4 0.2 8.1 118 119 A P S > S+ 0 0 0 0, 0.0 3,-2.4 0, 0.0 -1,-0.2 0.636 96.6 142.1 -81.8 -7.3 -43.4 -3.2 9.4 119 120 A R T 3 + 0 0 120 -4,-0.4 4,-0.1 1,-0.3 -3,-0.0 -0.484 56.2 29.0 -64.9 140.8 -41.3 -4.0 6.3 120 121 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 -0.856 115.6 63.6-100.9 25.6 -38.7 -5.5 6.0 121 122 A L S < S+ 0 0 38 -3,-2.4 2,-0.3 30,-0.0 -2,-0.2 0.254 93.4 69.0 -97.3 15.5 -39.5 -7.6 9.2 122 123 A V - 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