==== 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 20-AUG-12 4GPE . 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) . 21066.0 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 . 62 11.8 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 0 2 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 0 106 0, 0.0 165,-3.0 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 150.7 -73.1 -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 -0.515 360.0-112.0 -83.3 162.6 -70.9 -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 0.899 119.9 54.8 -57.9 -41.3 -67.2 -9.3 9.0 4 5 A H H > S+ 0 0 17 158,-2.5 4,-2.3 160,-0.3 5,-0.2 0.959 110.8 43.0 -55.1 -54.5 -66.6 -9.4 12.8 5 6 A G H > S+ 0 0 34 157,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.903 116.1 48.2 -62.5 -41.2 -68.6 -12.7 13.2 6 7 A T H X S+ 0 0 10 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.895 111.0 50.8 -68.3 -36.4 -67.0 -14.3 10.1 7 8 A T H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.930 110.4 46.9 -72.7 -42.3 -63.5 -13.3 11.1 8 9 A Y H X S+ 0 0 3 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.884 112.2 52.7 -64.6 -34.5 -63.8 -14.7 14.7 9 10 A E H X S+ 0 0 53 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.932 109.2 48.8 -62.5 -45.8 -65.3 -17.9 13.1 10 11 A L H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.930 111.3 50.8 -58.6 -45.3 -62.3 -18.2 10.7 11 12 A L H ><>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 3,-0.5 0.953 113.0 43.7 -59.4 -50.3 -59.9 -17.7 13.7 12 13 A R H ><5S+ 0 0 77 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.883 111.6 53.6 -65.3 -35.9 -61.5 -20.4 15.8 13 14 A R H 3<5S+ 0 0 101 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.752 108.6 51.7 -69.7 -21.6 -61.8 -22.8 12.9 14 15 A Q T <<5S- 0 0 45 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.229 126.5-100.7 -97.1 12.4 -58.1 -22.3 12.3 15 16 A G T < 5S+ 0 0 43 -3,-1.5 2,-0.4 1,-0.3 -3,-0.2 0.520 77.7 134.7 89.6 9.1 -57.2 -23.1 16.0 16 17 A I < + 0 0 9 -5,-2.7 -1,-0.3 -6,-0.2 -2,-0.1 -0.758 9.2 149.4 -96.7 132.3 -56.8 -19.5 17.3 17 18 A D + 0 0 63 -2,-0.4 22,-2.2 1,-0.2 2,-0.4 0.308 52.5 70.7-140.9 2.6 -58.4 -18.7 20.6 18 19 A T E -b 39 0B 5 20,-0.2 47,-0.6 2,-0.0 2,-0.5 -0.995 55.0-160.9-131.2 135.2 -56.2 -16.1 22.3 19 20 A V E -bc 40 65B 0 20,-2.6 22,-3.0 -2,-0.4 2,-0.5 -0.982 6.6-159.3-112.4 119.8 -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 -0.895 38.2 147.2 -91.7 125.0 -52.5 -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 -0.966 55.9-151.0-156.6 162.4 -53.1 -7.1 22.6 22 23 A N - 0 0 34 45,-1.6 47,-0.2 -2,-0.3 22,-0.1 -0.943 47.3-134.6-133.2 119.1 -52.9 -3.5 23.8 23 24 A P + 0 0 57 0, 0.0 2,-0.3 0, 0.0 46,-0.2 -0.307 28.0 171.0 -83.0 162.1 -56.1 -1.8 22.7 24 25 A G >> - 0 0 17 44,-0.1 3,-1.0 1,-0.1 4,-0.8 -0.904 49.2 -84.8-150.5-175.6 -56.9 1.5 21.0 25 26 A S G >4 S+ 0 0 74 -2,-0.3 3,-1.0 1,-0.3 -1,-0.1 0.894 122.6 52.1 -63.0 -42.6 -59.8 3.4 19.4 26 27 A N G 34 S+ 0 0 1 1,-0.3 71,-0.3 70,-0.2 -1,-0.3 0.665 111.1 50.6 -71.7 -13.4 -59.4 1.8 15.9 27 28 A E G X> S+ 0 0 2 -3,-1.0 4,-2.3 69,-0.2 3,-1.2 0.590 83.4 87.0-100.3 -12.9 -59.5 -1.6 17.5 28 29 A L H < S+ 0 0 24 -4,-2.3 3,-0.6 3,-0.1 -3,-0.2 0.657 90.3 101.4 -80.6 -18.7 -62.8 -6.2 20.2 32 33 A K T 3< S+ 0 0 67 -4,-2.1 0, 0.0 1,-0.2 0, 0.0 -0.162 85.8 21.9 -63.1 156.5 -66.4 -5.4 21.1 33 34 A D T 3 S- 0 0 132 1,-0.2 -1,-0.2 2,-0.0 3,-0.1 0.891 91.2-161.8 53.0 40.4 -68.7 -8.4 21.6 34 35 A F < - 0 0 58 -3,-0.6 -1,-0.2 1,-0.1 -3,-0.1 -0.255 23.9-104.3 -60.1 132.3 -65.5 -10.4 22.3 35 36 A P > - 0 0 19 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.290 17.6-130.6 -69.0 146.0 -66.4 -14.1 21.9 36 37 A E T 3 S+ 0 0 205 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.738 105.4 57.6 -65.0 -22.9 -66.8 -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 0.489 97.0 77.5 -87.6 -3.2 -64.5 -18.8 23.9 38 39 A F < - 0 0 15 -3,-1.7 2,-0.3 -20,-0.0 -20,-0.2 -0.665 66.6-146.6 -99.9 153.7 -61.6 -16.4 23.3 39 40 A R E -b 18 0B 102 -22,-2.2 -20,-2.6 -2,-0.3 2,-0.4 -0.907 3.6-148.8-112.2 156.8 -59.2 -14.9 25.8 40 41 A Y E -b 19 0B 49 -2,-0.3 2,-0.7 -22,-0.2 -20,-0.2 -0.992 5.6-161.8-121.2 126.0 -57.6 -11.6 25.7 41 42 A I E -b 20 0B 9 -22,-3.0 -20,-2.5 -2,-0.4 2,-0.3 -0.937 13.9-155.5-110.3 107.4 -54.1 -11.1 27.2 42 43 A L E -b 21 0B 42 -2,-0.7 2,-0.3 -22,-0.2 -20,-0.2 -0.658 12.6-177.3 -80.4 136.2 -53.4 -7.4 27.9 43 44 A A - 0 0 0 -22,-1.8 393,-0.1 -2,-0.3 6,-0.1 -0.939 29.5-128.3-127.9 156.4 -49.9 -6.1 28.1 44 45 A L S S+ 0 0 67 -2,-0.3 2,-0.3 391,-0.3 392,-0.1 0.569 89.6 26.2 -86.1 -9.1 -49.0 -2.4 28.9 45 46 A Q S >> S- 0 0 63 388,-0.1 4,-2.0 1,-0.1 3,-0.7 -0.981 79.8-118.9-149.0 153.1 -46.7 -1.7 25.9 46 47 A E H 3> S+ 0 0 15 -2,-0.3 4,-2.5 1,-0.3 5,-0.3 0.764 109.8 59.9 -75.3 -25.2 -46.5 -3.3 22.5 47 48 A A H 3> S+ 0 0 18 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.868 110.8 46.3 -60.9 -35.5 -43.0 -4.7 22.7 48 49 A C H <> S+ 0 0 0 -3,-0.7 4,-2.5 2,-0.2 5,-0.2 0.905 109.7 52.6 -73.1 -41.8 -44.3 -6.6 25.6 49 50 A V H X S+ 0 0 2 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.949 115.4 40.8 -54.7 -50.6 -47.5 -7.7 23.8 50 51 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.913 113.4 53.5 -71.4 -39.1 -45.5 -9.0 20.9 51 52 A G H X S+ 0 0 2 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.894 110.6 47.2 -58.5 -45.1 -42.8 -10.6 23.1 52 53 A I H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.945 113.8 46.9 -61.1 -50.6 -45.4 -12.5 25.1 53 54 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.866 110.8 54.2 -58.0 -37.0 -47.1 -13.7 21.9 54 55 A D H X S+ 0 0 1 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.947 109.5 45.9 -66.2 -50.0 -43.7 -14.7 20.5 55 56 A G H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.919 113.8 50.3 -56.0 -42.8 -42.8 -16.9 23.5 56 57 A Y H X S+ 0 0 18 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.933 112.9 45.0 -62.3 -45.7 -46.3 -18.4 23.4 57 58 A A H X>S+ 0 0 1 -4,-2.7 4,-1.4 2,-0.2 5,-1.1 0.898 114.1 48.7 -64.9 -44.2 -46.0 -19.2 19.6 58 59 A Q H <5S+ 0 0 6 -4,-2.9 -2,-0.2 2,-0.2 -1,-0.2 0.935 117.2 40.8 -65.3 -40.7 -42.5 -20.6 19.9 59 60 A A H <5S+ 0 0 4 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.879 119.9 43.5 -75.8 -37.3 -43.3 -22.9 22.9 60 61 A S H <5S- 0 0 38 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.636 99.0-136.2 -81.2 -15.1 -46.7 -24.0 21.5 61 62 A R T <5S+ 0 0 76 -4,-1.4 -3,-0.2 1,-0.2 -4,-0.1 0.873 71.4 95.4 56.7 46.6 -45.4 -24.5 18.0 62 63 A K S > - d 0 96B 28 -2,-0.2 4,-2.6 26,-0.2 5,-0.6 -0.777 58.4 -80.4 -95.4 109.9 -53.2 0.1 17.8 70 71 A S H >5S- 0 0 4 -2,-0.8 4,-1.8 26,-0.7 5,-0.2 0.099 89.7 -29.7 45.0-145.9 -52.4 1.8 14.3 71 72 A A H >5S+ 0 0 33 2,-0.2 4,-3.2 3,-0.2 5,-0.2 0.894 137.4 50.3 -76.7 -39.0 -49.0 3.0 13.5 72 73 A A H >5S+ 0 0 68 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.912 114.2 44.4 -68.6 -38.0 -47.8 4.0 17.0 73 74 A G H X5S+ 0 0 1 -4,-2.6 4,-0.8 2,-0.2 -3,-0.2 0.931 116.7 46.5 -69.8 -47.5 -48.7 0.6 18.5 74 75 A T H ><< S+ 0 0 34 -4,-3.2 3,-1.8 1,-0.3 4,-0.3 0.905 103.0 56.5 -61.2 -38.3 -44.1 0.9 15.7 76 77 A N H 3< S+ 0 0 78 -4,-2.2 -1,-0.3 1,-0.3 3,-0.2 0.737 109.4 50.3 -61.3 -21.8 -43.6 0.3 19.5 77 78 A A T S+ 0 0 36 -3,-1.8 4,-1.4 -4,-0.3 -1,-0.2 0.812 80.2 52.7 -74.7 -25.5 -41.0 -3.3 15.7 79 80 A G H > S+ 0 0 47 -4,-0.3 4,-1.5 -3,-0.2 -1,-0.2 0.902 110.0 51.3 -68.4 -35.9 -37.9 -4.3 17.8 80 81 A A H > S+ 0 0 14 1,-0.2 4,-2.3 -4,-0.2 -2,-0.2 0.898 107.2 53.9 -63.3 -38.0 -39.9 -7.3 18.9 81 82 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.819 99.9 60.9 -65.2 -31.4 -40.7 -8.1 15.3 82 83 A S H X S+ 0 0 32 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.938 108.1 43.6 -61.2 -45.7 -37.0 -8.0 14.4 83 84 A N H X S+ 0 0 4 -4,-1.5 4,-1.1 1,-0.2 -2,-0.2 0.952 112.3 53.1 -62.9 -42.5 -36.4 -10.9 16.8 84 85 A A H <>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 4,-0.3 0.853 104.9 55.9 -61.5 -34.7 -39.5 -12.8 15.6 85 86 A W H ><5S+ 0 0 74 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.949 110.1 44.7 -60.1 -47.0 -38.3 -12.5 12.0 86 87 A N H 3<5S+ 0 0 47 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.586 113.7 49.2 -79.6 -9.3 -35.0 -14.3 12.9 87 88 A S T 3<5S- 0 0 5 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.299 106.3-124.3-100.7 5.2 -36.7 -17.0 15.0 88 89 A H T < 5 + 0 0 17 -3,-1.2 -3,-0.2 -4,-0.3 63,-0.2 0.897 45.2 179.2 55.6 41.7 -39.2 -17.8 12.2 89 90 A S < - 0 0 0 -5,-2.4 2,-1.6 -6,-0.1 -1,-0.2 -0.614 31.1-130.1 -84.0 130.2 -42.0 -17.1 14.8 90 91 A P + 0 0 5 0, 0.0 -26,-2.1 0, 0.0 2,-0.5 -0.552 44.1 163.2 -80.3 87.9 -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 -0.921 31.0-156.7-112.8 128.3 -47.1 -14.2 14.5 92 93 A I E -de 65 153B 0 -28,-2.9 -26,-3.0 -2,-0.5 2,-0.7 -0.871 18.8-167.4-101.7 99.5 -50.3 -12.8 13.0 93 94 A V E -de 66 154B 0 60,-2.6 62,-2.5 -2,-0.8 2,-0.4 -0.842 6.6-177.5 -96.1 115.6 -50.0 -9.1 13.8 94 95 A T E -de 67 155B 6 -28,-2.4 -26,-2.9 -2,-0.7 2,-0.3 -0.874 2.6-175.9-108.9 147.7 -53.2 -7.1 13.3 95 96 A A E -de 68 156B 2 60,-2.2 62,-2.3 -2,-0.4 2,-0.3 -0.997 24.8-118.3-139.8 144.2 -53.5 -3.3 13.7 96 97 A G E -de 69 157B 4 -28,-1.5 -26,-0.7 -2,-0.3 2,-0.3 -0.608 26.2-160.2 -87.0 143.3 -56.6 -1.1 13.5 97 98 A Q E - e 0 158B 2 60,-2.5 62,-2.1 -71,-0.3 13,-0.1 -0.724 29.3 -87.0-111.1 163.2 -56.8 1.7 10.9 98 99 A Q - 0 0 18 -2,-0.3 62,-0.2 11,-0.2 -1,-0.2 -0.193 61.6 -75.2 -58.6 165.3 -59.0 4.8 10.8 99 100 A T >> - 0 0 23 59,-0.2 3,-2.2 60,-0.1 4,-0.8 -0.315 46.6-115.5 -62.4 144.8 -62.5 4.6 9.2 100 101 A R H >> S+ 0 0 74 1,-0.3 3,-0.9 2,-0.2 4,-0.6 0.857 112.0 64.3 -55.2 -34.7 -62.2 4.5 5.4 101 102 A A H 34 S+ 0 0 92 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.680 110.6 35.2 -67.1 -16.6 -63.9 7.8 5.1 102 103 A M H <>>S+ 0 0 79 -3,-2.2 5,-1.6 2,-0.1 4,-0.8 0.400 87.0 94.0-118.5 9.5 -61.1 9.7 6.9 103 104 A I H X<5S+ 0 0 42 -3,-0.9 3,-1.0 -4,-0.8 -2,-0.1 0.927 85.9 53.6 -60.1 -42.9 -58.0 7.8 5.8 104 105 A G T 3<5S+ 0 0 75 -4,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.853 107.5 48.5 -64.1 -35.0 -57.4 10.3 2.9 105 106 A V T 345S- 0 0 114 -4,-0.2 -1,-0.3 -3,-0.1 -2,-0.2 0.642 110.1-125.5 -78.9 -8.0 -57.5 13.4 5.1 106 107 A E T <<5 - 0 0 121 -3,-1.0 -3,-0.2 -4,-0.8 -2,-0.1 0.963 35.0-165.9 57.1 56.6 -55.0 11.6 7.5 107 108 A A > < - 0 0 20 -5,-1.6 3,-2.0 1,-0.2 -9,-0.1 -0.226 40.2 -70.1 -55.8 156.8 -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 -0.313 126.1 27.7 -46.5 136.9 -55.5 11.4 13.9 109 110 A L T 3 S+ 0 0 57 1,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.449 83.6 143.3 80.4 8.4 -54.8 7.7 14.3 110 111 A T < - 0 0 18 -3,-2.0 2,-1.0 -13,-0.1 -1,-0.3 -0.629 48.0-141.6 -74.6 133.0 -54.5 7.1 10.5 111 112 A N > - 0 0 3 -2,-0.4 3,-1.1 -3,-0.1 2,-0.2 -0.805 23.8-148.2 -94.7 97.0 -51.7 4.5 9.8 112 113 A V T 3 S- 0 0 76 -2,-1.0 5,-0.1 1,-0.3 4,-0.1 -0.515 74.7 -3.7 -75.9 134.5 -50.3 6.1 6.7 113 114 A D T >> S- 0 0 114 -2,-0.2 3,-1.9 1,-0.1 4,-0.7 0.907 87.3-179.7 54.3 43.9 -48.8 3.7 4.1 114 115 A A G X4 + 0 0 6 -3,-1.1 3,-1.3 1,-0.3 -2,-0.1 0.785 66.8 56.4 -51.8 -46.8 -49.6 1.0 6.7 115 116 A A G 34 S+ 0 0 21 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.764 105.9 52.6 -63.5 -24.8 -48.4 -2.0 4.8 116 117 A N G <4 S+ 0 0 72 -3,-1.9 3,-0.5 1,-0.1 -1,-0.3 0.691 90.0 82.0 -80.4 -16.4 -44.9 -0.5 4.4 117 118 A L S << S+ 0 0 61 -3,-1.3 -2,-0.2 -4,-0.7 -1,-0.1 0.927 96.7 35.4 -60.3 -52.6 -44.5 0.2 8.2 118 119 A P S > S+ 0 0 0 0, 0.0 3,-2.3 0, 0.0 -1,-0.2 0.614 96.0 144.1 -82.7 -6.2 -43.4 -3.2 9.4 119 120 A R T 3 + 0 0 119 -3,-0.5 4,-0.1 1,-0.3 -3,-0.0 -0.466 56.7 27.7 -66.8 139.6 -41.3 -4.1 6.3 120 121 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 -0.870 115.8 64.3-100.4 23.6 -38.7 -5.6 6.0 121 122 A L S < S+ 0 0 37 -3,-2.3 2,-0.3 30,-0.0 -2,-0.2 0.267 93.6 66.5 -98.0 17.2 -39.5 -7.6 9.2 122 123 A V - 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