==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-JUN-10 3ND5 . COMPND 2 MOLECULE: PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR H.J.YOON,H.H.LEE,S.W.SUH . 912 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38975.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 670 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 144 15.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 6 0.7 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 . 56 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 319 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.3 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 0 1 1 4 5 7 1 6 4 1 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 6 0 0 0 18 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 0 0 0 0 3 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 1 A M 0 0 71 0, 0.0 2,-0.1 0, 0.0 79,-0.0 0.000 360.0 360.0 360.0 150.4 -3.6 0.5 45.4 2 2 A R - 0 0 180 1,-0.1 2,-2.5 27,-0.0 78,-0.4 -0.309 360.0-114.8 -51.6 131.1 -4.3 4.1 44.7 3 3 A K + 0 0 29 76,-0.1 27,-1.8 77,-0.1 28,-1.7 -0.380 67.3 135.1 -82.1 65.9 -7.3 4.4 42.4 4 4 A I E -a 31 0A 13 -2,-2.5 76,-2.0 26,-0.2 77,-1.6 -0.983 30.5-175.4-118.4 121.9 -5.5 5.9 39.4 5 5 A A E -ab 32 81A 0 26,-2.4 28,-3.4 -2,-0.4 2,-0.5 -0.934 21.1-144.0-126.3 139.1 -6.2 4.4 35.9 6 6 A L E -ab 33 82A 0 75,-2.2 77,-2.3 -2,-0.4 28,-0.2 -0.928 6.5-163.7 -97.9 121.4 -4.9 4.9 32.4 7 7 A F E -a 34 0A 4 26,-2.9 28,-1.7 -2,-0.5 77,-0.1 -0.914 23.4-161.2 -98.1 92.8 -7.6 4.7 29.6 8 8 A P E +a 35 0A 11 0, 0.0 2,-0.3 0, 0.0 28,-0.2 -0.333 26.1 126.9 -77.9 157.8 -5.1 4.2 26.6 9 9 A G E -a 36 0A 21 26,-1.0 28,-2.5 1,-0.1 5,-0.1 -0.908 61.1-120.4 168.0 163.5 -6.2 4.9 22.9 10 10 A S - 0 0 57 -2,-0.3 4,-0.1 26,-0.2 -1,-0.1 0.647 39.7-156.0-100.3 -16.9 -5.4 6.7 19.7 11 11 A F > + 0 0 3 2,-0.2 3,-0.7 1,-0.1 39,-0.1 0.912 22.9 171.3 41.0 66.8 -8.8 8.3 19.8 12 12 A D T 3 S- 0 0 64 1,-0.9 -1,-0.1 28,-0.0 2,-0.1 -0.603 86.2 -0.2-141.9 73.0 -9.0 8.9 16.1 13 13 A P T 3 S- 0 0 10 0, 0.0 -1,-0.9 0, 0.0 2,-0.4 0.531 92.6-138.4 -87.4 163.5 -11.9 9.8 16.3 14 14 A M < - 0 0 1 -3,-0.7 2,-0.2 -2,-0.1 132,-0.1 -0.716 29.8-155.6 -74.4 135.9 -13.0 9.6 19.9 15 15 A T > - 0 0 9 -2,-0.4 4,-1.8 127,-0.2 127,-0.3 -0.476 31.7-105.7-107.9 171.5 -16.5 8.2 20.0 16 16 A N H > S+ 0 0 30 125,-2.4 4,-2.1 2,-0.2 126,-0.1 0.694 121.0 61.1 -66.5 -23.1 -19.5 8.3 22.3 17 17 A G H > S+ 0 0 13 124,-0.4 4,-2.0 2,-0.2 5,-0.2 0.940 104.7 47.3 -65.5 -50.1 -18.6 4.7 23.2 18 18 A H H > S+ 0 0 44 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.920 113.5 48.0 -49.3 -51.2 -15.2 6.0 24.5 19 19 A L H X S+ 0 0 23 -4,-1.8 4,-3.1 1,-0.2 5,-0.2 0.891 108.7 55.1 -55.7 -47.7 -17.0 8.8 26.5 20 20 A N H X S+ 0 0 19 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.896 109.7 44.5 -54.4 -46.7 -19.4 6.3 27.8 21 21 A L H X S+ 0 0 17 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.827 113.0 53.2 -69.1 -35.5 -16.6 4.1 29.3 22 22 A I H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.927 108.6 49.0 -63.7 -46.3 -14.8 7.3 30.6 23 23 A E H X S+ 0 0 95 -4,-3.1 4,-0.7 1,-0.2 -2,-0.2 0.889 113.5 46.9 -58.2 -41.6 -18.0 8.4 32.4 24 24 A R H >< S+ 0 0 16 -4,-1.6 3,-0.6 1,-0.2 4,-0.3 0.898 112.4 49.6 -71.7 -41.3 -18.4 5.0 33.9 25 25 A S H >X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 3,-0.9 0.738 100.6 62.9 -59.6 -31.9 -14.7 4.8 34.9 26 26 A A H 3< S+ 0 0 13 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.732 98.8 58.1 -77.7 -18.1 -14.8 8.3 36.6 27 27 A K T << S+ 0 0 86 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.644 114.9 36.1 -77.3 -20.8 -17.4 6.8 39.0 28 28 A L T <4 S+ 0 0 6 -3,-0.9 2,-0.3 -4,-0.3 -2,-0.2 0.747 110.4 57.7-101.3 -33.4 -14.9 4.2 40.1 29 29 A F < - 0 0 2 -4,-2.2 3,-0.2 1,-0.1 -25,-0.2 -0.731 65.8-139.3-106.2 150.5 -11.5 5.8 40.1 30 30 A D S S+ 0 0 106 -27,-1.8 2,-0.3 -2,-0.3 -26,-0.2 0.828 99.0 17.2 -69.5 -32.9 -10.1 8.9 42.0 31 31 A E E -a 4 0A 46 -28,-1.7 -26,-2.4 -6,-0.1 2,-0.6 -0.979 65.3-167.7-146.1 127.0 -8.3 9.8 38.7 32 32 A V E -ac 5 60A 0 27,-2.8 29,-2.3 -2,-0.3 2,-0.6 -0.960 12.0-159.1-114.5 116.6 -8.9 8.6 35.2 33 33 A I E -ac 6 61A 0 -28,-3.4 -26,-2.9 -2,-0.6 2,-0.8 -0.835 8.6-148.7 -94.0 125.2 -6.1 9.5 32.7 34 34 A I E -ac 7 62A 0 27,-2.8 29,-2.6 -2,-0.6 2,-1.0 -0.825 16.6-158.5 -85.8 104.0 -7.0 9.6 29.0 35 35 A G E -ac 8 63A 0 -28,-1.7 -26,-1.0 -2,-0.8 2,-0.9 -0.788 2.4-161.0 -90.4 106.2 -3.6 8.6 27.5 36 36 A V E -ac 9 64A 0 27,-2.1 29,-2.3 -2,-1.0 2,-0.5 -0.767 7.6-151.5 -94.4 104.4 -3.7 9.8 23.9 37 37 A F E c 0 65A 29 -28,-2.5 29,-0.2 -2,-0.9 27,-0.1 -0.640 360.0 360.0 -85.1 119.4 -1.0 7.8 22.0 38 38 A I 0 0 92 27,-2.1 29,-1.1 -2,-0.5 -28,-0.0 -0.807 360.0 360.0-100.1 360.0 0.3 9.9 19.1 39 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 40 45 A L 0 0 204 0, 0.0 2,-0.3 0, 0.0 -28,-0.0 0.000 360.0 360.0 360.0 117.9 -4.7 14.3 10.7 41 46 A F - 0 0 34 1,-0.1 3,-0.0 112,-0.1 0, 0.0 -0.635 360.0-100.0 -89.4 156.6 -5.4 16.6 13.6 42 47 A T > - 0 0 46 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.343 24.6-120.2 -70.3 156.7 -2.5 18.1 15.5 43 48 A P H > S+ 0 0 46 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.932 123.6 52.9 -61.7 -39.5 -1.6 16.4 18.7 44 49 A E H > S+ 0 0 141 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.877 108.3 48.4 -60.6 -41.0 -2.4 19.8 20.0 45 50 A E H > S+ 0 0 74 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.895 109.3 52.1 -64.7 -41.4 -5.8 19.7 18.2 46 51 A K H X S+ 0 0 23 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.914 107.4 53.5 -63.3 -41.5 -6.6 16.3 19.6 47 52 A K H X S+ 0 0 72 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.924 110.1 45.2 -63.4 -41.8 -5.8 17.4 23.0 48 53 A Y H X S+ 0 0 151 -4,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.936 113.7 50.6 -64.8 -45.3 -8.2 20.3 22.9 49 54 A L H X S+ 0 0 20 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.926 114.0 42.9 -57.0 -49.9 -10.9 18.2 21.3 50 55 A I H X S+ 0 0 2 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.893 113.4 53.7 -69.1 -39.2 -10.7 15.4 23.9 51 56 A E H X S+ 0 0 84 -4,-2.3 4,-1.0 -5,-0.3 3,-0.4 0.943 108.9 47.9 -57.3 -49.5 -10.5 18.0 26.7 52 57 A E H < S+ 0 0 69 -4,-3.0 3,-0.4 1,-0.2 4,-0.2 0.890 110.8 52.4 -61.6 -34.4 -13.6 19.7 25.5 53 58 A A H < S+ 0 0 16 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.827 117.2 37.2 -67.3 -30.0 -15.5 16.3 25.3 54 59 A T H >< S+ 0 0 7 -4,-1.6 3,-2.4 -3,-0.4 -1,-0.2 0.496 81.7 110.0-104.2 0.1 -14.5 15.3 28.9 55 60 A K T 3< + 0 0 136 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.1 0.693 67.2 67.7 -54.1 -29.3 -14.8 18.8 30.6 56 61 A E T 3 S+ 0 0 165 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.503 91.3 74.5 -69.1 -7.1 -18.0 17.8 32.6 57 62 A M X - 0 0 28 -3,-2.4 3,-0.8 1,-0.1 -1,-0.1 -0.950 61.1-167.5-116.3 122.1 -15.9 15.3 34.6 58 63 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.745 84.4 54.9 -84.1 -23.4 -13.5 16.6 37.3 59 64 A N T 3 S+ 0 0 45 -30,-0.1 -27,-2.8 -28,-0.1 2,-0.4 0.139 93.0 92.3 -98.5 22.0 -11.5 13.5 38.0 60 65 A V E < +c 32 0A 21 -3,-0.8 2,-0.3 -29,-0.2 -27,-0.2 -0.925 49.5 175.1-112.2 138.7 -10.6 13.1 34.3 61 66 A R E -c 33 0A 120 -29,-2.3 -27,-2.8 -2,-0.4 2,-0.5 -1.000 22.0-135.0-144.0 148.5 -7.5 14.4 32.6 62 67 A V E +c 34 0A 7 -2,-0.3 2,-0.4 -29,-0.2 -27,-0.2 -0.844 20.2 179.7-105.7 122.8 -6.0 14.1 29.2 63 68 A I E -c 35 0A 33 -29,-2.6 -27,-2.1 -2,-0.5 2,-0.2 -0.972 20.9-140.7-124.2 123.3 -2.3 13.4 28.6 64 69 A M E -c 36 0A 39 -2,-0.4 2,-0.4 -29,-0.2 -27,-0.2 -0.515 26.2-171.5 -72.4 144.0 -0.7 13.1 25.1 65 70 A Q E -c 37 0A 33 -29,-2.3 -27,-2.1 -2,-0.2 2,-0.1 -1.000 26.6-117.5-141.6 132.8 1.9 10.3 25.1 66 71 A E - 0 0 156 -2,-0.4 -29,-0.1 -29,-0.2 7,-0.0 -0.534 54.9 -88.1 -65.5 143.9 4.5 9.3 22.5 67 72 A T S S+ 0 0 78 -29,-1.1 2,-0.3 -2,-0.1 -1,-0.1 -0.294 77.0 121.2 -55.5 139.9 3.8 5.7 21.3 68 73 A Q S S- 0 0 39 -3,-0.1 2,-0.3 375,-0.0 375,-0.1 -0.923 70.4 -38.2 178.5 174.7 5.5 3.1 23.6 69 74 A L >> - 0 0 16 373,-0.3 4,-2.0 -2,-0.3 3,-1.3 -0.469 51.7-136.3 -56.7 123.7 4.5 0.3 25.8 70 75 A T H 3> S+ 0 0 38 -2,-0.3 4,-2.5 1,-0.3 -1,-0.1 0.734 103.4 56.2 -50.3 -34.3 1.3 1.1 27.6 71 76 A V H 3> S+ 0 0 9 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.726 106.5 50.8 -80.7 -21.0 2.6 -0.2 30.9 72 77 A E H <> S+ 0 0 88 -3,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.862 109.9 49.2 -78.6 -41.5 5.6 2.1 30.7 73 78 A S H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.964 113.2 47.7 -56.1 -52.3 3.3 5.0 30.0 74 79 A A H X>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 4,-0.7 0.871 110.7 50.7 -52.7 -49.1 1.2 3.9 33.1 75 80 A K H ><5S+ 0 0 147 -4,-1.5 3,-0.6 1,-0.2 -1,-0.2 0.934 110.6 49.6 -62.0 -41.8 4.3 3.5 35.3 76 81 A S H 3<5S+ 0 0 94 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.780 115.5 43.4 -57.9 -35.4 5.5 7.1 34.3 77 82 A L H 3<5S- 0 0 43 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.465 114.0-116.0 -95.1 -2.3 2.1 8.6 35.1 78 83 A G T <<5 + 0 0 28 -4,-0.7 2,-0.4 -3,-0.6 -3,-0.2 0.736 59.0 154.8 73.3 26.4 1.7 6.7 38.3 79 84 A A < - 0 0 3 -5,-2.5 -1,-0.2 -6,-0.2 -74,-0.2 -0.719 25.8-173.5 -89.8 132.9 -1.4 4.7 37.1 80 85 A N + 0 0 38 -76,-2.0 30,-2.2 -2,-0.4 2,-0.3 0.530 68.1 48.7 -96.1 -10.2 -2.0 1.4 38.9 81 86 A F E -bd 5 110A 0 -77,-1.6 -75,-2.2 28,-0.2 2,-0.4 -0.923 64.4-147.7-129.9 149.8 -4.9 0.2 36.7 82 87 A L E -bd 6 111A 2 28,-2.8 30,-3.6 -2,-0.3 2,-0.5 -0.990 16.2-152.4-113.3 134.0 -5.6 -0.0 33.0 83 88 A I E + d 0 112A 1 -77,-2.3 2,-0.3 -2,-0.4 30,-0.2 -0.896 21.7 168.3-107.0 126.2 -9.2 0.5 31.9 84 89 A R E - d 0 113A 46 28,-2.5 30,-2.2 -2,-0.5 2,-0.3 -0.963 24.7-135.2-129.7 160.3 -10.4 -1.2 28.6 85 90 A G E - d 0 114A 12 -2,-0.3 2,-0.4 28,-0.2 30,-0.2 -0.794 7.9-154.2-109.0 151.2 -13.7 -1.8 27.0 86 91 A I E + d 0 115A 2 28,-2.1 30,-2.3 -2,-0.3 3,-0.1 -0.992 17.9 168.9-122.7 123.7 -15.0 -5.1 25.4 87 92 A R - 0 0 37 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.596 64.0 -9.2-109.0 -12.4 -17.7 -4.9 22.7 88 93 A N S > S- 0 0 5 1,-0.1 4,-2.8 34,-0.0 -1,-0.2 -0.941 80.9 -78.0-169.6 177.3 -17.7 -8.4 21.2 89 94 A V H > S+ 0 0 3 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.929 125.4 50.0 -61.8 -44.8 -16.0 -11.8 21.1 90 95 A K H > S+ 0 0 127 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.903 113.4 47.0 -60.1 -39.5 -13.2 -10.7 18.8 91 96 A D H > S+ 0 0 29 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.898 109.3 55.1 -66.4 -42.0 -12.5 -7.7 21.1 92 97 A Y H X S+ 0 0 3 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.959 110.3 44.1 -55.6 -49.0 -12.7 -10.0 24.1 93 98 A E H X S+ 0 0 11 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.860 115.4 48.7 -69.4 -31.9 -9.9 -12.3 22.7 94 99 A Y H X S+ 0 0 131 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.892 113.4 44.3 -70.8 -45.9 -7.8 -9.4 21.6 95 100 A E H X S+ 0 0 10 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.857 110.3 58.4 -64.7 -42.2 -7.9 -7.5 24.9 96 101 A K H X S+ 0 0 23 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.932 106.8 45.6 -53.9 -49.6 -7.3 -10.7 26.7 97 102 A D H X S+ 0 0 17 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.918 114.4 48.5 -57.6 -51.1 -4.0 -11.3 24.9 98 103 A I H X S+ 0 0 40 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.913 111.2 51.9 -54.8 -41.8 -3.0 -7.6 25.5 99 104 A A H X S+ 0 0 11 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.905 110.3 46.7 -65.9 -45.3 -3.9 -8.0 29.2 100 105 A K H X S+ 0 0 18 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.877 112.8 49.1 -60.7 -44.2 -1.8 -11.1 29.7 101 106 A M H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 3,-0.4 0.952 112.8 48.6 -56.5 -49.8 1.2 -9.7 27.9 102 107 A N H X S+ 0 0 18 -4,-2.9 4,-2.1 1,-0.3 7,-0.2 0.840 107.3 56.1 -62.5 -31.4 0.9 -6.5 30.1 103 108 A Q H < S+ 0 0 72 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.865 107.9 47.8 -69.1 -38.4 0.6 -8.7 33.1 104 109 A H H < S+ 0 0 52 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.2 0.890 115.6 44.3 -57.8 -50.4 3.9 -10.3 32.2 105 110 A L H < S+ 0 0 40 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.759 135.9 9.5 -68.7 -28.4 5.6 -6.9 31.6 106 111 A A >< + 0 0 4 -4,-2.1 3,-1.7 -5,-0.2 -1,-0.3 -0.615 64.8 178.2-159.5 79.2 4.2 -5.2 34.7 107 112 A P T 3 S+ 0 0 85 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.505 79.2 64.7 -72.9 -5.2 2.4 -7.5 37.1 108 113 A E T 3 S+ 0 0 101 2,-0.1 2,-0.5 -27,-0.0 -5,-0.1 0.475 87.4 83.0 -94.8 -7.3 1.6 -4.8 39.6 109 114 A I S < S- 0 0 12 -3,-1.7 2,-0.4 -7,-0.2 -28,-0.2 -0.862 72.2-150.0 -97.5 128.3 -0.6 -3.1 37.1 110 115 A E E -d 81 0A 31 -30,-2.2 -28,-2.8 -2,-0.5 2,-0.5 -0.846 4.6-141.5-101.3 132.3 -4.2 -4.5 36.9 111 116 A T E -d 82 0A 12 -2,-0.4 2,-0.4 -30,-0.2 158,-0.3 -0.872 19.6-164.3 -93.0 129.8 -6.3 -4.4 33.7 112 117 A V E -d 83 0A 2 -30,-3.6 -28,-2.5 -2,-0.5 2,-0.4 -0.922 5.6-146.4-119.2 139.9 -9.9 -3.7 34.4 113 118 A F E -dE 84 267A 0 154,-2.6 154,-2.6 -2,-0.4 2,-0.4 -0.916 15.5-176.8-120.0 133.0 -12.8 -4.3 31.9 114 119 A L E -d 85 0A 6 -30,-2.2 -28,-2.1 -2,-0.4 2,-0.3 -0.964 26.9-126.6-115.7 141.6 -16.1 -2.6 31.1 115 120 A L E -d 86 0A 4 -2,-0.4 -28,-0.2 150,-0.4 150,-0.1 -0.676 33.9-104.1 -84.5 133.4 -18.5 -4.0 28.5 116 121 A A - 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