==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-AUG-13 4M7P . COMPND 2 MOLECULE: OLEANDOMYCIN GLYCOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES ANTIBIOTICUS; . AUTHOR F.WANG,K.E.HELMICH,W.XU,S.SINGH,J.L.OLMOS JR.,E.MARTINEZ III . 395 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18475.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.3 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 . 29 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.3 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 1 1 2 1 0 4 1 1 1 0 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 5 4 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 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 6 A T 0 0 187 0, 0.0 2,-0.1 0, 0.0 30,-0.0 0.000 360.0 360.0 360.0 113.4 44.5 22.7 0.5 2 7 A P - 0 0 76 0, 0.0 29,-0.1 0, 0.0 2,-0.1 -0.377 360.0-121.0 -79.9 142.0 44.4 25.6 3.0 3 8 A A - 0 0 23 -2,-0.1 29,-2.4 1,-0.1 2,-0.6 -0.400 28.6-127.7 -60.4 144.8 42.7 28.9 2.5 4 9 A H E -a 32 0A 2 27,-0.2 97,-2.1 95,-0.1 98,-1.2 -0.891 25.0-173.0 -99.5 117.7 45.1 31.8 2.7 5 10 A I E -ab 33 102A 0 27,-3.0 29,-2.1 -2,-0.6 2,-0.6 -0.973 8.5-158.0-110.2 121.4 44.0 34.4 5.2 6 11 A A E -ab 34 103A 0 96,-2.6 98,-3.1 -2,-0.5 2,-0.3 -0.900 6.0-163.4-103.7 117.9 46.2 37.5 5.2 7 12 A X E -ab 35 104A 0 27,-3.2 29,-3.3 -2,-0.6 2,-0.4 -0.766 3.9-163.5 -99.5 147.0 46.1 39.7 8.3 8 13 A F E +ab 36 105A 0 96,-1.2 98,-2.4 -2,-0.3 2,-0.3 -0.997 21.7 134.9-132.1 131.8 47.4 43.3 8.4 9 14 A S - 0 0 0 27,-2.0 2,-0.2 -2,-0.4 7,-0.1 -0.909 40.4-108.0-155.1-170.5 48.3 45.6 11.2 10 15 A I - 0 0 3 -2,-0.3 2,-2.1 2,-0.2 5,-0.1 -0.684 44.3 -88.8-120.5 170.1 50.9 48.0 12.5 11 16 A A S S+ 0 0 9 -2,-0.2 2,-0.3 5,-0.1 52,-0.1 -0.530 85.3 112.4 -85.9 73.0 53.4 47.8 15.3 12 17 A A > - 0 0 14 -2,-2.1 3,-2.0 49,-0.1 4,-0.5 -0.963 64.3-138.1-144.1 129.4 51.2 49.1 18.1 13 18 A H G >> S+ 0 0 75 -2,-0.3 4,-2.7 1,-0.3 3,-1.5 0.871 102.7 54.6 -56.7 -41.1 50.1 46.9 21.0 14 19 A G G 34 S+ 0 0 46 1,-0.3 -1,-0.3 2,-0.2 290,-0.0 0.593 111.5 46.7 -72.8 -9.3 46.5 48.1 21.0 15 20 A H G <4 S+ 0 0 39 -3,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.332 123.6 30.9-111.4 4.4 46.2 47.2 17.4 16 21 A V T X> S+ 0 0 0 -3,-1.5 3,-1.0 -4,-0.5 4,-0.8 0.640 109.1 59.2-125.3 -51.1 47.8 43.8 17.6 17 22 A N G >< S+ 0 0 55 -4,-2.7 3,-1.0 1,-0.2 4,-0.5 0.875 95.7 62.7 -51.6 -43.4 47.0 42.3 21.0 18 23 A P G 34 S+ 0 0 51 0, 0.0 -1,-0.2 0, 0.0 4,-0.2 0.782 114.2 32.3 -61.1 -26.3 43.3 42.4 20.8 19 24 A S G <> S+ 0 0 3 -3,-1.0 4,-2.4 1,-0.1 5,-0.2 0.378 86.6 99.2-108.8 1.7 43.1 40.0 17.8 20 25 A L H S+ 0 0 40 -4,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.913 107.9 50.7 -65.8 -43.4 43.9 35.1 20.0 22 27 A V H > S+ 0 0 5 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.930 111.7 46.8 -59.2 -45.4 41.7 35.1 16.9 23 28 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.929 110.8 53.3 -63.0 -43.5 44.7 34.7 14.6 24 29 A R H X S+ 0 0 90 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.934 110.5 47.3 -55.3 -45.8 45.9 31.9 16.9 25 30 A E H X S+ 0 0 51 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.895 107.5 54.8 -68.2 -39.1 42.6 30.1 16.6 26 31 A L H <>S+ 0 0 0 -4,-2.4 5,-1.6 1,-0.2 3,-0.3 0.919 111.9 45.2 -60.0 -41.0 42.4 30.5 12.8 27 32 A V H ><5S+ 0 0 41 -4,-2.3 3,-2.1 1,-0.2 -2,-0.2 0.921 108.8 56.0 -65.2 -42.3 45.8 28.8 12.6 28 33 A A H 3<5S+ 0 0 76 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.742 103.9 56.7 -62.5 -20.4 44.6 26.2 15.1 29 34 A R T 3<5S- 0 0 63 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.443 123.7-103.1 -92.0 -2.5 41.8 25.5 12.7 30 35 A G T < 5S+ 0 0 50 -3,-2.1 -3,-0.2 1,-0.3 2,-0.1 0.368 72.7 138.7 100.4 -2.2 44.2 24.7 9.8 31 36 A H < - 0 0 39 -5,-1.6 2,-0.7 -29,-0.1 -1,-0.3 -0.476 58.4-118.1 -70.6 145.4 44.0 27.9 7.7 32 37 A R E -a 4 0A 100 -29,-2.4 -27,-3.0 -2,-0.1 2,-0.5 -0.797 39.5-169.7 -84.3 115.9 47.2 29.3 6.3 33 38 A V E -a 5 0A 7 -2,-0.7 18,-2.4 -29,-0.2 2,-0.3 -0.940 13.4-174.0-119.8 126.4 47.6 32.7 7.9 34 39 A T E -ac 6 51A 3 -29,-2.1 -27,-3.2 -2,-0.5 2,-0.4 -0.841 10.1-155.5-112.9 153.4 50.0 35.3 7.0 35 40 A Y E -ac 7 52A 0 16,-2.6 18,-2.6 -2,-0.3 2,-0.5 -0.892 8.1-147.1-142.0 104.5 50.4 38.5 9.0 36 41 A A E +ac 8 53A 0 -29,-3.3 -27,-2.0 -2,-0.4 18,-0.2 -0.597 43.2 143.4 -72.9 119.8 51.7 41.7 7.6 37 42 A I E - c 0 54A 0 16,-2.4 18,-1.2 -2,-0.5 -27,-0.1 -0.987 53.4 -97.2-157.5 148.4 53.6 43.4 10.4 38 43 A P > - 0 0 9 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.436 46.0-104.6 -70.2 158.1 56.7 45.5 11.1 39 44 A P G > S+ 0 0 80 0, 0.0 3,-1.8 0, 0.0 4,-0.5 0.758 114.1 69.1 -55.4 -32.6 59.8 43.6 12.2 40 45 A V G 3 S+ 0 0 85 1,-0.3 4,-0.2 2,-0.1 3,-0.1 0.766 107.9 39.3 -61.6 -24.0 59.6 44.7 15.9 41 46 A F G <> S+ 0 0 5 -3,-1.9 4,-2.5 1,-0.1 -1,-0.3 0.247 84.5 104.0-108.1 14.0 56.4 42.6 16.2 42 47 A A H <> S+ 0 0 23 -3,-1.8 4,-3.1 2,-0.2 5,-0.2 0.935 84.1 45.5 -60.8 -47.9 57.6 39.6 14.1 43 48 A D H > S+ 0 0 142 -4,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.943 112.7 52.0 -60.5 -49.0 58.3 37.4 17.2 44 49 A K H 4 S+ 0 0 78 -4,-0.2 4,-0.2 1,-0.2 -1,-0.2 0.897 115.4 40.9 -51.4 -47.2 54.9 38.5 18.7 45 50 A V H ><>S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.2 5,-0.7 0.895 110.1 56.1 -72.7 -42.0 53.1 37.5 15.5 46 51 A A H ><5S+ 0 0 44 -4,-3.1 3,-1.9 1,-0.3 -1,-0.2 0.816 94.8 69.2 -62.0 -30.2 55.0 34.3 14.8 47 52 A A T 3<5S+ 0 0 75 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.677 92.6 58.4 -64.2 -17.0 54.1 33.0 18.2 48 53 A T T < 5S- 0 0 8 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.597 121.0-108.8 -81.2 -14.5 50.4 32.7 17.1 49 54 A G T < 5S+ 0 0 51 -3,-1.9 -16,-0.2 1,-0.4 -3,-0.2 0.209 80.1 126.8 101.1 -13.2 51.6 30.4 14.3 50 55 A A < - 0 0 4 -5,-0.7 -1,-0.4 -18,-0.1 -16,-0.2 -0.417 66.4-113.9 -70.7 152.7 51.0 32.9 11.5 51 56 A R E -c 34 0A 180 -18,-2.4 -16,-2.6 -2,-0.1 2,-0.3 -0.784 30.6-128.9 -87.1 124.5 53.8 33.6 9.1 52 57 A P E -c 35 0A 36 0, 0.0 2,-0.6 0, 0.0 -16,-0.2 -0.559 14.9-159.3 -73.8 133.3 55.0 37.2 9.6 53 58 A V E -c 36 0A 19 -18,-2.6 -16,-2.4 -2,-0.3 2,-0.3 -0.969 22.5-140.9-106.3 113.8 55.2 39.2 6.4 54 59 A L E +c 37 0A 97 -2,-0.6 2,-0.3 -18,-0.2 -18,-0.1 -0.575 29.9 160.9 -86.4 135.0 57.6 42.1 7.2 55 60 A Y - 0 0 10 -18,-1.2 2,-0.6 -2,-0.3 32,-0.1 -0.968 40.5-107.0-142.2 161.5 57.1 45.6 6.0 56 61 A H - 0 0 113 -2,-0.3 2,-0.4 30,-0.1 34,-0.1 -0.815 31.5-167.9 -93.3 116.8 58.5 49.0 7.0 57 62 A S - 0 0 19 -2,-0.6 4,-0.1 2,-0.1 26,-0.1 -0.878 16.2-156.0 -98.3 136.1 55.9 51.3 8.7 58 63 A T + 0 0 74 -2,-0.4 -1,-0.1 21,-0.1 3,-0.1 0.305 62.8 109.4 -92.0 7.1 56.7 54.9 9.3 59 64 A L S S- 0 0 18 1,-0.1 2,-0.3 21,-0.1 -2,-0.1 -0.339 87.4 -79.0 -74.5 165.5 54.3 55.1 12.2 60 65 A P - 0 0 31 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 -0.506 54.5-111.3 -70.7 129.1 55.6 55.5 15.7 61 66 A G - 0 0 26 -2,-0.3 -49,-0.1 2,-0.2 -3,-0.0 -0.180 30.9-100.1 -60.4 158.8 56.8 52.2 17.1 62 67 A P S S+ 0 0 33 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.542 120.5 69.7 -62.9 -8.4 54.9 50.5 19.9 63 68 A D S S+ 0 0 121 -52,-0.1 2,-0.3 2,-0.0 -2,-0.2 -0.668 80.0 107.0-109.4 67.3 57.5 51.9 22.1 64 69 A A - 0 0 46 -2,-0.6 5,-0.0 -4,-0.2 0, 0.0 -0.989 62.0-125.1-151.5 137.3 56.5 55.6 21.8 65 70 A D > - 0 0 103 -2,-0.3 3,-2.6 1,-0.1 4,-0.1 -0.394 35.4-104.7 -85.2 163.8 54.9 58.2 24.1 66 71 A P T 3 S+ 0 0 117 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.196 116.1 71.3 -88.1 21.7 51.7 60.2 23.0 67 72 A E T 3 S+ 0 0 161 2,-0.1 4,-0.1 1,-0.1 -3,-0.0 0.685 92.7 64.3 -83.2 -28.6 53.7 63.3 22.4 68 73 A A S < S+ 0 0 49 -3,-2.6 -1,-0.1 1,-0.2 3,-0.1 0.503 96.0 51.7 -82.9 -7.0 54.9 61.3 19.4 69 74 A W S S- 0 0 75 1,-0.2 -1,-0.2 -4,-0.1 2,-0.2 0.879 111.5-110.0 -91.1 -49.5 51.6 60.9 17.6 70 75 A G - 0 0 27 -4,-0.5 -1,-0.2 1,-0.1 -2,-0.1 -0.638 11.9 -96.0 139.5 172.5 50.7 64.7 17.6 71 76 A S S S+ 0 0 112 -2,-0.2 2,-0.2 -4,-0.1 -1,-0.1 0.766 90.4 43.2-100.3 -28.7 48.4 67.4 19.0 72 77 A T S > S- 0 0 83 1,-0.1 4,-1.5 0, 0.0 3,-0.3 -0.727 89.1-101.5-112.2 171.2 45.5 68.2 16.7 73 78 A L H > S+ 0 0 35 1,-0.3 4,-2.0 -2,-0.2 5,-0.2 0.873 122.5 51.7 -64.8 -35.5 43.3 65.8 14.8 74 79 A L H > S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.883 108.5 53.0 -64.4 -35.7 45.0 66.4 11.4 75 80 A D H 4 S+ 0 0 56 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.801 112.5 46.2 -65.0 -28.0 48.3 65.6 13.3 76 81 A N H < S+ 0 0 70 -4,-1.5 4,-0.3 -3,-0.2 -2,-0.2 0.832 119.6 37.5 -79.3 -33.9 46.7 62.4 14.5 77 82 A V H >X S+ 0 0 31 -4,-2.0 3,-1.1 -5,-0.2 4,-0.9 0.832 100.7 67.4 -97.4 -35.3 45.3 61.3 11.2 78 83 A E H >X S+ 0 0 33 -4,-2.4 4,-2.6 1,-0.2 3,-0.8 0.850 89.5 66.2 -58.9 -38.6 47.8 62.2 8.5 79 84 A P H 3> S+ 0 0 31 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.825 98.3 54.4 -55.3 -31.5 50.5 59.7 9.7 80 85 A F H <> S+ 0 0 36 -3,-1.1 4,-1.7 -4,-0.3 30,-0.3 0.823 110.2 45.9 -73.1 -31.1 48.2 56.8 8.7 81 86 A L H S+ 0 0 68 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.910 111.6 53.7 -70.0 -37.5 53.6 48.9 -2.7 90 95 A Q H X S+ 0 0 66 -4,-0.5 4,-2.0 1,-0.2 -2,-0.2 0.934 115.7 41.3 -51.5 -48.1 55.8 46.9 -0.3 91 96 A L H X S+ 0 0 1 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.871 111.2 54.3 -74.6 -39.1 52.8 44.9 0.6 92 97 A A H < S+ 0 0 9 -4,-3.1 4,-0.3 -5,-0.3 3,-0.2 0.927 113.3 44.7 -56.6 -42.5 51.5 44.5 -2.9 93 98 A D H >< S+ 0 0 126 -4,-2.5 3,-0.8 -5,-0.2 4,-0.2 0.872 109.3 54.2 -74.7 -34.5 54.9 43.2 -3.9 94 99 A A H 3< S+ 0 0 56 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.760 118.0 37.3 -68.7 -24.0 55.2 40.8 -1.0 95 100 A Y T >< S+ 0 0 3 -4,-1.3 3,-1.9 -3,-0.2 -1,-0.2 0.340 83.1 119.4-107.0 6.4 51.9 39.3 -1.8 96 101 A A T < S+ 0 0 49 -3,-0.8 3,-0.2 -4,-0.3 -1,-0.1 0.764 89.5 16.4 -45.4 -50.3 52.2 39.4 -5.6 97 102 A D T 3 S+ 0 0 159 -4,-0.2 -1,-0.3 1,-0.2 -2,-0.1 -0.014 121.7 65.5-119.1 25.9 51.9 35.7 -6.5 98 103 A D < + 0 0 62 -3,-1.9 -1,-0.2 2,-0.0 -2,-0.1 -0.403 69.2 175.2-142.0 53.7 50.5 34.6 -3.1 99 104 A I - 0 0 89 -3,-0.2 -95,-0.1 1,-0.1 -3,-0.1 -0.490 27.2-128.5 -66.8 125.0 47.1 36.4 -3.3 100 105 A P - 0 0 2 0, 0.0 -95,-0.2 0, 0.0 3,-0.1 -0.253 5.3-132.0 -73.0 164.2 45.1 35.5 -0.2 101 106 A D S S+ 0 0 72 -97,-2.1 2,-0.3 1,-0.3 -96,-0.2 0.638 92.4 16.9 -80.1 -21.7 41.5 34.2 -0.3 102 107 A L E -b 5 0A 0 -98,-1.2 -96,-2.6 19,-0.1 2,-0.5 -0.981 68.3-140.6-157.0 142.4 40.5 36.7 2.4 103 108 A V E -bd 6 123A 0 19,-2.5 21,-2.7 -2,-0.3 2,-0.4 -0.918 16.7-176.3-112.4 125.2 41.9 39.9 3.9 104 109 A L E +bd 7 124A 0 -98,-3.1 -96,-1.2 -2,-0.5 2,-0.3 -0.919 15.0 168.4-114.0 145.3 41.8 40.6 7.7 105 110 A H E -bd 8 125A 6 19,-2.1 21,-2.7 -2,-0.4 -96,-0.2 -0.967 38.3-116.8-161.6 143.7 43.0 43.9 9.1 106 111 A D E > - d 0 126A 4 -98,-2.4 3,-1.8 -2,-0.3 21,-0.2 -0.411 48.4-105.6 -65.3 154.0 43.1 46.2 12.1 107 112 A I T 3 S+ 0 0 47 19,-1.0 -1,-0.1 1,-0.3 20,-0.1 0.693 114.6 66.4 -61.1 -17.7 41.4 49.5 11.4 108 113 A T T 3 S+ 0 0 15 1,-0.1 2,-1.2 -100,-0.1 -1,-0.3 0.672 78.2 92.0 -80.3 -14.0 44.7 51.4 11.0 109 114 A S <> + 0 0 2 -3,-1.8 4,-1.0 -101,-0.2 3,-0.2 -0.654 40.6 170.0 -92.8 92.9 45.8 49.5 7.9 110 115 A Y H > S+ 0 0 18 -2,-1.2 4,-2.2 -30,-0.3 3,-0.2 0.871 78.4 63.0 -60.9 -38.5 44.7 51.4 4.7 111 116 A P H > S+ 0 0 4 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.887 97.8 56.6 -55.7 -38.5 46.9 49.1 2.6 112 117 A A H > S+ 0 0 0 -3,-0.2 4,-2.4 2,-0.2 5,-0.2 0.924 107.5 47.3 -60.6 -44.6 44.8 46.1 3.6 113 118 A R H X S+ 0 0 8 -4,-1.0 4,-1.6 -3,-0.2 -1,-0.2 0.962 114.6 46.8 -59.6 -52.3 41.6 47.8 2.4 114 119 A V H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.891 114.3 46.5 -58.6 -45.7 43.2 48.8 -1.0 115 120 A L H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 -1,-0.2 0.896 105.7 57.8 -68.5 -39.3 44.7 45.4 -1.6 116 121 A A H X>S+ 0 0 1 -4,-2.4 5,-2.7 -5,-0.3 4,-0.5 0.919 113.4 42.4 -55.2 -41.0 41.5 43.5 -0.7 117 122 A R H ><5S+ 0 0 74 -4,-1.6 3,-1.6 2,-0.2 -2,-0.2 0.964 111.9 51.3 -70.5 -53.4 39.9 45.5 -3.5 118 123 A R H 3<5S+ 0 0 129 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.860 116.8 43.0 -52.2 -37.6 42.7 45.3 -6.0 119 124 A W H 3<5S- 0 0 42 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.558 108.1-127.5 -86.2 -9.7 42.7 41.5 -5.4 120 125 A G T <<5 + 0 0 66 -3,-1.6 -3,-0.2 -4,-0.5 -4,-0.1 0.931 65.4 125.2 58.1 48.4 38.9 41.2 -5.5 121 126 A V < - 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0 0 14 -2,-0.4 2,-1.4 -53,-0.1 3,-0.1 -0.926 37.2-120.7-127.2 153.9 51.4 42.4 37.2 287 292 A P > - 0 0 24 0, 0.0 4,-1.4 0, 0.0 3,-0.4 -0.676 31.7-163.8 -81.8 81.1 49.2 39.7 35.7 288 293 A Q H > S+ 0 0 34 -2,-1.4 4,-1.9 1,-0.2 5,-0.1 0.687 76.4 50.4 -49.2 -21.8 46.0 41.8 35.5 289 294 A L H > S+ 0 0 13 2,-0.2 4,-3.3 3,-0.2 -1,-0.2 0.942 104.5 46.1 -88.2 -52.2 43.7 38.8 35.1 290 295 A A H > S+ 0 0 2 -3,-0.4 4,-0.5 2,-0.2 -2,-0.1 0.946 120.5 46.3 -58.0 -42.0 44.4 36.1 37.7 291 296 A I H >X S+ 0 0 1 -4,-1.4 3,-3.9 2,-0.2 4,-1.2 0.994 111.0 49.5 -55.7 -66.4 44.4 39.0 40.1 292 297 A L H >< S+ 0 0 0 -4,-1.9 3,-0.5 1,-0.3 -2,-0.2 0.827 103.9 63.0 -45.1 -38.8 41.2 40.6 38.7 293 298 A R H 3< S+ 0 0 143 -4,-3.3 -1,-0.3 1,-0.2 -2,-0.2 0.711 117.4 26.9 -58.9 -23.7 39.6 37.1 39.0 294 299 A Q H << S+ 0 0 75 -3,-3.9 -65,-0.3 -4,-0.5 -2,-0.2 0.346 104.2 101.7-118.8 1.8 40.1 37.3 42.8 295 300 A A << - 0 0 9 -4,-1.2 -65,-0.2 -3,-0.5 3,-0.1 -0.611 51.9-162.2 -90.9 151.2 40.0 41.1 43.2 296 301 A D S S+ 0 0 49 -67,-2.7 2,-0.3 1,-0.3 -66,-0.2 0.466 76.2 28.5-110.3 -7.9 36.9 43.0 44.4 297 302 A L E -h 230 0B 0 -68,-1.2 -66,-1.9 18,-0.1 2,-0.4 -0.979 61.6-160.6-156.8 145.4 37.9 46.4 43.2 298 303 A F E -hj 231 317B 0 18,-1.6 20,-2.6 -2,-0.3 2,-0.5 -0.974 5.0-163.9-137.7 116.7 39.9 47.8 40.3 299 304 A V E +hj 232 318B 0 -68,-1.9 -64,-1.4 -2,-0.4 -66,-1.2 -0.894 36.5 170.1 -98.0 122.2 41.4 51.3 40.1 300 305 A T E - j 0 319B 0 18,-1.7 20,-2.2 -2,-0.5 -2,-0.0 -0.960 59.0-131.0-142.8 148.7 42.3 51.7 36.4 301 306 A H - 0 0 25 -2,-0.3 -1,-0.1 -66,-0.2 18,-0.0 0.792 57.3-136.9 -58.5 -34.0 43.4 53.9 33.5 302 307 A A + 0 0 0 1,-0.1 2,-0.1 -3,-0.1 27,-0.1 0.911 46.2 148.1 79.0 45.4 40.4 52.2 31.8 303 308 A G > - 0 0 10 26,-0.1 4,-4.6 18,-0.0 5,-0.5 -0.319 64.7 -74.1 -93.2-170.6 41.6 51.3 28.3 304 309 A A H > S+ 0 0 50 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.883 131.4 40.5 -62.2 -54.7 40.4 48.3 26.4 305 310 A G H > S+ 0 0 34 3,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.952 124.1 45.5 -56.7 -43.1 42.0 45.4 28.1 306 311 A G H > S+ 0 0 3 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.862 115.4 39.8 -73.3 -52.9 41.3 47.3 31.4 307 312 A S H X S+ 0 0 0 -4,-4.6 4,-1.6 1,-0.2 -1,-0.2 0.928 122.4 48.6 -57.5 -43.8 37.7 48.4 31.1 308 313 A Q H X S+ 0 0 33 -4,-2.3 4,-3.2 -5,-0.5 -2,-0.2 0.866 109.4 47.1 -63.3 -43.4 37.0 44.9 29.4 309 314 A E H X S+ 0 0 4 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.886 110.8 50.5 -79.3 -34.7 38.7 42.6 31.9 310 315 A G H <>S+ 0 0 0 -4,-1.3 5,-3.1 2,-0.2 -1,-0.2 0.927 115.4 44.2 -64.4 -43.9 37.1 44.2 35.0 311 316 A L H ><5S+ 0 0 0 -4,-1.6 3,-1.8 -5,-0.2 -2,-0.2 0.960 115.1 49.1 -60.3 -49.6 33.8 43.9 33.2 312 317 A A H 3<5S+ 0 0 20 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.787 115.9 43.6 -59.1 -25.8 34.8 40.4 32.2 313 318 A T T 3<5S- 0 0 22 -4,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.180 110.0-121.9-106.8 16.4 35.8 39.7 35.9 314 319 A A T < 5 + 0 0 33 -3,-1.8 -3,-0.2 55,-0.2 56,-0.1 0.848 62.0 149.8 42.1 46.1 32.7 41.3 37.3 315 320 A T < - 0 0 1 -5,-3.1 -1,-0.2 -6,-0.1 -18,-0.1 -0.926 45.9-131.0-110.8 117.1 35.0 43.7 39.2 316 321 A P - 0 0 12 0, 0.0 -18,-1.6 0, 0.0 2,-0.3 -0.352 30.0-147.9 -66.5 158.6 33.6 47.2 40.0 317 322 A X E -jk 298 339B 0 21,-1.6 23,-1.1 -20,-0.2 2,-0.7 -0.902 21.2-139.2-135.4 143.6 36.1 49.9 39.1 318 323 A I E -jk 299 340B 0 -20,-2.6 -18,-1.7 -2,-0.3 2,-0.7 -0.954 37.4-135.1-101.1 114.1 37.1 53.3 40.2 319 324 A A E +jk 300 341B 0 21,-2.8 23,-3.9 -2,-0.7 -18,-0.1 -0.633 34.2 167.7 -83.2 113.0 37.6 55.1 36.9 320 325 A V + 0 0 0 -20,-2.2 -84,-1.1 -2,-0.7 23,-0.2 -0.754 15.8 154.6-122.3 76.9 40.8 57.1 36.7 321 326 A P - 0 0 0 0, 0.0 -1,-0.1 0, 0.0 -85,-0.1 1.000 24.0-173.1 -72.6 -76.9 41.1 58.0 33.0 322 327 A Q + 0 0 77 1,-0.2 2,-0.2 20,-0.1 3,-0.1 0.973 63.2 81.0 65.2 58.1 43.0 61.2 32.2 323 328 A A S > S- 0 0 39 1,-0.0 4,-0.8 2,-0.0 3,-0.3 -0.638 84.1-122.2 177.6 133.3 42.2 61.1 28.4 324 329 A V H >> S+ 0 0 127 1,-0.2 4,-0.8 2,-0.2 3,-0.7 0.863 112.3 55.8 -54.1 -34.8 39.0 62.2 26.7 325 330 A D H >> S+ 0 0 106 1,-0.3 4,-1.7 2,-0.2 3,-1.3 0.961 109.5 44.5 -66.7 -40.2 38.4 58.8 25.2 326 331 A Q H 3> S+ 0 0 9 1,-0.3 4,-1.9 -3,-0.3 -1,-0.3 0.506 102.3 68.1 -81.8 -5.2 38.5 57.1 28.7 327 332 A F H S+ 0 0 0 -4,-4.7 5,-1.7 2,-0.2 6,-0.4 0.957 123.1 43.0 -49.7 -54.4 31.2 52.4 32.9 334 339 A Q H ><5S+ 0 0 61 -4,-4.4 3,-1.3 -5,-0.3 -1,-0.2 0.860 109.1 59.3 -60.8 -32.9 29.7 54.9 35.4 335 340 A G H 3<5S+ 0 0 64 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.862 103.1 52.2 -64.9 -31.7 26.7 55.1 33.1 336 341 A L T 3<5S- 0 0 46 -4,-2.0 -1,-0.3 -3,-0.4 -2,-0.2 0.481 116.3-116.9 -84.6 -2.4 26.2 51.3 33.6 337 342 A G T < 5S+ 0 0 20 -3,-1.3 -3,-0.2 -4,-0.3 31,-0.2 0.779 89.4 103.0 78.2 25.7 26.3 51.8 37.4 338 343 A V S > - 0 0 17 -2,-0.3 4,-2.3 -23,-0.2 3,-1.5 -0.778 40.5-104.8-105.4 161.9 40.5 62.3 37.9 344 349 A T T 34 S+ 0 0 43 1,-0.3 -1,-0.0 2,-0.3 -24,-0.0 0.827 120.8 57.2 -54.6 -45.9 43.8 62.6 39.9 345 350 A E T 34 S+ 0 0 176 1,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.763 120.2 37.1 -49.6 -27.1 43.1 66.0 41.4 346 351 A E T <4 S+ 0 0 91 -3,-1.5 2,-2.8 1,-0.1 -2,-0.3 0.804 93.7 85.3 -96.3 -35.8 40.1 64.1 42.6 347 352 A A < + 0 0 1 -4,-2.3 2,-0.2 4,-0.1 -1,-0.1 -0.341 62.0 154.1 -75.9 69.7 41.5 60.6 43.4 348 353 A T > - 0 0 51 -2,-2.8 4,-2.7 -3,-0.1 5,-0.3 -0.533 59.6 -99.7 -95.6 162.2 42.7 61.5 46.9 349 354 A A H > S+ 0 0 14 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.863 120.4 46.4 -51.0 -46.4 43.1 59.0 49.8 350 355 A D H >> S+ 0 0 104 2,-0.2 4,-2.1 1,-0.2 3,-0.7 0.996 114.7 43.2 -57.4 -67.5 39.8 59.9 51.4 351 356 A L H 3> S+ 0 0 58 1,-0.3 4,-1.5 2,-0.2 5,-0.2 0.754 112.2 55.5 -60.3 -25.7 37.6 59.8 48.3 352 357 A L H 3X S+ 0 0 0 -4,-2.7 4,-2.6 3,-0.2 -1,-0.3 0.945 109.8 47.4 -64.0 -48.9 39.3 56.7 47.1 353 358 A R H X S+ 0 0 55 -4,-1.0 3,-0.9 -3,-0.3 4,-0.5 0.961 112.5 43.3 -73.0 -62.0 30.5 52.3 48.3 359 364 A L H >< S+ 0 0 15 -4,-2.8 3,-0.9 1,-0.3 -2,-0.2 0.829 113.6 47.6 -55.5 -47.0 31.2 50.1 45.3 360 365 A V T 3< S+ 0 0 31 -4,-2.3 -1,-0.3 1,-0.2 -3,-0.1 0.803 116.6 46.3 -69.5 -22.3 32.2 46.9 47.0 361 366 A D T <4 S+ 0 0 98 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.381 85.3 101.3 -98.9 3.5 29.1 47.2 49.3 362 367 A D XX - 0 0 66 -3,-0.9 4,-1.5 -4,-0.5 3,-0.9 -0.753 53.8-167.2 -92.4 100.6 26.6 48.0 46.5 363 368 A P H 3> S+ 0 0 102 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.817 87.9 55.9 -64.2 -24.9 24.7 44.8 45.9 364 369 A E H 3> S+ 0 0 68 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.809 99.9 58.4 -73.4 -30.1 23.2 46.3 42.7 365 370 A V H <> S+ 0 0 5 -3,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.948 108.6 47.1 -59.0 -44.0 26.7 47.1 41.4 366 371 A A H X S+ 0 0 41 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.898 110.6 51.2 -65.2 -42.4 27.4 43.4 41.7 367 372 A R H X S+ 0 0 139 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.914 110.5 48.8 -65.0 -40.2 24.2 42.4 40.0 368 373 A R H X S+ 0 0 80 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.897 109.8 51.4 -63.2 -43.1 24.8 44.7 37.1 369 374 A L H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 -55,-0.2 0.904 109.1 51.0 -62.2 -40.2 28.4 43.4 36.7 370 375 A R H X S+ 0 0 136 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.928 110.4 50.7 -58.4 -45.4 26.9 39.9 36.6 371 376 A R H X S+ 0 0 109 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.917 112.9 43.7 -57.2 -50.0 24.5 41.1 33.9 372 377 A I H X S+ 0 0 1 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.883 109.6 56.0 -70.1 -38.3 27.2 42.6 31.8 373 378 A Q H X S+ 0 0 75 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.908 108.2 50.1 -60.3 -39.7 29.5 39.6 32.2 374 379 A A H X S+ 0 0 57 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.840 108.4 51.2 -66.9 -35.5 26.8 37.4 30.9 375 380 A E H X S+ 0 0 98 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.878 111.7 47.5 -72.4 -34.1 26.1 39.6 27.9 376 381 A X H X S+ 0 0 4 -4,-2.3 4,-1.4 2,-0.2 -167,-0.7 0.874 107.0 56.9 -71.3 -37.0 29.9 39.5 27.0 377 382 A A H < S+ 0 0 72 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.934 109.6 47.1 -56.5 -45.8 29.9 35.8 27.5 378 383 A Q H < S+ 0 0 166 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.869 101.3 63.0 -62.8 -43.5 27.2 35.7 24.8 379 384 A E H < S- 0 0 23 -4,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.846 105.4-138.3 -52.1 -38.0 29.0 38.0 22.4 380 385 A G < - 0 0 12 -4,-1.4 -171,-0.4 -3,-0.5 -169,-0.1 0.094 14.4-133.0 92.5 157.8 31.7 35.4 22.2 381 386 A G > - 0 0 15 -171,-0.1 4,-2.0 -4,-0.1 5,-0.2 0.371 66.7 -20.9-111.7-116.6 35.4 35.5 22.2 382 387 A T H > S+ 0 0 8 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.938 132.5 46.7 -72.6 -53.2 37.9 33.8 20.0 383 388 A R H > S+ 0 0 181 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.898 112.8 54.1 -57.5 -42.7 35.9 30.9 18.5 384 389 A R H > S+ 0 0 87 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.953 111.0 42.1 -52.1 -61.4 33.1 33.3 17.8 385 390 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.903 112.7 54.6 -59.9 -39.8 35.2 35.7 15.8 386 391 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.901 107.8 51.1 -61.6 -39.2 37.0 32.8 14.1 387 392 A D H X S+ 0 0 75 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.940 109.6 49.0 -57.8 -49.0 33.5 31.5 13.0 388 393 A L H < S+ 0 0 21 -4,-2.2 4,-0.3 1,-0.2 -2,-0.2 0.879 109.9 51.8 -65.1 -35.3 32.5 34.9 11.6 389 394 A I H >X S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 4,-0.5 0.906 110.2 47.9 -68.4 -42.9 35.7 35.2 9.7 390 395 A E H >< S+ 0 0 59 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.881 101.9 65.3 -60.5 -38.9 35.3 31.8 8.1 391 396 A A T 3< S+ 0 0 80 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.575 106.9 42.3 -64.6 -7.9 31.7 32.7 7.3 392 397 A E T <4 S+ 0 0 64 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.552 79.0 120.6-102.7 -14.6 33.1 35.4 4.9 393 398 A L S << S- 0 0 12 -3,-1.4 -291,-0.1 -4,-0.5 -3,-0.1 -0.222 87.6-107.2 -72.1 72.1 35.9 33.3 3.3 394 399 A P 0 0 80 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.704 360.0 360.0 -12.8 64.4 34.8 33.4 -0.3 395 400 A A 0 0 132 -5,-0.2 -2,-0.1 -4,-0.1 -4,-0.1 0.297 360.0 360.0-144.3 360.0 33.9 29.8 0.4