==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-APR-09 3H4T . COMPND 2 MOLECULE: GLYCOSYLTRANSFERASE GTFA, GLYCOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AMYCOLATOPSIS ORIENTALIS, ACTINOPLANES . AUTHOR M.V.B.DIAS,A.W.TRUMAN,S.WU,T.L.BLUNDELL,F.HUANG,J.B.SPENCER . 390 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16477.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 259 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 11.8 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 . 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 . 18 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 34.9 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 0 3 0 1 0 1 4 0 0 2 0 2 0 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 6 2 0 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 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 1 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 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 G 0 0 23 0, 0.0 92,-3.3 0, 0.0 93,-0.5 0.000 360.0 360.0 360.0 179.8 17.5 54.3 -0.6 2 3 A V E -ab 30 94A 4 27,-1.5 29,-2.4 90,-0.2 2,-0.4 -0.999 360.0-148.0-132.7 134.5 17.4 52.6 2.8 3 4 A L E -ab 31 95A 0 91,-2.5 93,-2.3 -2,-0.4 2,-0.4 -0.880 10.8-170.1-102.9 135.1 20.4 51.8 5.0 4 5 A I E +ab 32 96A 0 27,-2.2 29,-1.9 -2,-0.4 2,-0.3 -0.994 13.8 176.3-124.8 126.0 20.4 48.7 7.2 5 6 A T E +ab 33 97A 1 91,-2.7 93,-1.6 -2,-0.4 2,-0.3 -0.930 8.8 146.3-132.0 155.0 23.2 48.3 9.8 6 7 A G E - b 0 98A 3 27,-1.7 2,-0.3 -2,-0.3 93,-0.2 -0.965 27.3-150.8-172.6 162.6 24.2 46.0 12.5 7 8 A C E + b 0 99A 10 91,-0.7 93,-2.8 -2,-0.3 2,-0.3 -0.917 54.6 80.8-142.2 118.1 27.1 44.4 14.4 8 9 A G S S- 0 0 11 -2,-0.3 48,-0.2 91,-0.2 -2,-0.0 -0.967 75.9 -49.4 174.0-171.0 26.6 41.0 16.0 9 10 A S S >> S- 0 0 39 -2,-0.3 3,-1.1 47,-0.1 4,-1.0 -0.023 72.0 -78.1 -76.4-175.1 26.5 37.3 15.4 10 11 A R H >> S+ 0 0 59 1,-0.3 4,-3.2 2,-0.2 3,-0.9 0.882 130.8 56.8 -56.8 -39.5 24.6 35.5 12.6 11 12 A G H 34 S+ 0 0 33 1,-0.3 -1,-0.3 2,-0.2 217,-0.0 0.780 108.0 47.4 -63.6 -28.1 21.3 35.9 14.6 12 13 A D H <4 S+ 0 0 51 -3,-1.1 -1,-0.3 2,-0.1 4,-0.3 0.666 120.6 39.1 -79.8 -17.9 21.7 39.6 14.8 13 14 A T H XX S+ 0 0 1 -4,-1.0 4,-2.1 -3,-0.9 3,-0.5 0.832 99.1 66.4-105.5 -46.5 22.5 39.8 11.1 14 15 A E H 3X S+ 0 0 38 -4,-3.2 4,-2.5 1,-0.2 5,-0.2 0.877 100.5 52.9 -51.2 -45.4 20.3 37.4 9.2 15 16 A P H 3> S+ 0 0 16 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.887 109.1 50.9 -59.9 -36.7 17.1 39.3 10.0 16 17 A L H <> S+ 0 0 2 -3,-0.5 4,-2.6 -4,-0.3 -2,-0.2 0.900 109.3 49.3 -64.5 -43.3 18.7 42.5 8.7 17 18 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.904 109.2 54.5 -62.3 -41.2 19.7 40.7 5.4 18 19 A A H X S+ 0 0 2 -4,-2.5 4,-2.3 182,-0.2 -2,-0.2 0.929 110.0 45.6 -56.6 -48.5 16.1 39.5 5.2 19 20 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.926 112.2 51.1 -63.1 -45.0 14.7 43.0 5.4 20 21 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 10,-0.3 0.930 111.7 47.1 -56.9 -47.5 17.3 44.3 2.9 21 22 A A H X S+ 0 0 22 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.888 112.2 50.1 -63.7 -40.0 16.4 41.6 0.4 22 23 A R H X S+ 0 0 62 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.919 109.2 51.3 -64.6 -43.3 12.6 42.2 0.8 23 24 A L H <>S+ 0 0 0 -4,-2.6 5,-2.6 1,-0.2 -2,-0.2 0.902 109.6 50.1 -61.1 -41.1 13.0 46.0 0.4 24 25 A R H ><5S+ 0 0 92 -4,-2.1 3,-1.6 1,-0.2 -1,-0.2 0.890 107.4 53.8 -64.5 -38.8 15.0 45.4 -2.9 25 26 A E H 3<5S+ 0 0 141 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.840 107.1 53.1 -60.8 -32.5 12.2 43.0 -4.1 26 27 A L T 3<5S- 0 0 12 -4,-1.6 363,-0.3 -5,-0.1 -1,-0.3 0.283 128.1-100.1 -88.2 8.1 9.8 45.9 -3.4 27 28 A G T < 5S+ 0 0 51 -3,-1.6 2,-0.4 1,-0.3 -3,-0.2 0.504 79.7 130.9 91.9 6.9 11.9 48.3 -5.5 28 29 A A < - 0 0 18 -5,-2.6 2,-2.1 -6,-0.2 -1,-0.3 -0.759 62.9-123.6 -95.3 138.6 13.8 50.1 -2.8 29 30 A D + 0 0 81 -2,-0.4 -27,-1.5 -5,-0.0 2,-0.4 -0.532 42.7 177.0 -80.3 76.0 17.6 50.5 -3.1 30 31 A A E +a 2 0A 0 -2,-2.1 2,-0.3 -10,-0.3 -27,-0.2 -0.672 1.7 173.0 -83.1 134.9 18.4 48.9 0.3 31 32 A R E -a 3 0A 37 -29,-2.4 -27,-2.2 -2,-0.4 2,-0.3 -0.907 14.8-137.6-138.8 166.4 22.1 48.5 1.2 32 33 A M E -ac 4 49A 0 16,-2.1 18,-2.9 -2,-0.3 2,-0.4 -0.884 16.1-154.8-131.5 153.3 23.9 47.4 4.3 33 34 A C E +ac 5 50A 0 -29,-1.9 -27,-1.7 -2,-0.3 16,-0.0 -0.993 41.0 147.4-119.8 120.5 26.8 48.1 6.7 34 35 A L E - c 0 51A 0 16,-1.6 18,-2.3 -2,-0.4 -27,-0.2 -0.927 52.5 -77.8-143.1 164.3 27.8 44.8 8.5 35 36 A P > - 0 0 0 0, 0.0 3,-1.8 0, 0.0 20,-0.1 -0.258 52.2-104.2 -60.0 156.1 30.9 43.1 9.9 36 37 A P G > S+ 0 0 49 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.651 110.5 81.0 -63.5 -14.5 33.1 41.4 7.3 37 38 A D G 3 S+ 0 0 40 1,-0.2 3,-0.3 17,-0.2 4,-0.3 0.790 90.5 54.1 -53.0 -29.7 31.8 38.0 8.3 38 39 A Y G <> + 0 0 8 -3,-1.8 4,-2.4 1,-0.2 5,-0.2 0.228 69.7 106.1-104.2 13.1 28.7 38.6 6.1 39 40 A V H <> S+ 0 0 79 -3,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.932 86.7 43.0 -56.1 -50.7 30.2 39.5 2.7 40 41 A E H > S+ 0 0 153 -3,-0.3 4,-2.3 -4,-0.2 -1,-0.2 0.910 111.9 54.0 -64.6 -43.7 29.3 36.1 1.2 41 42 A R H > S+ 0 0 14 -4,-0.3 4,-0.7 1,-0.2 -1,-0.2 0.922 111.8 43.8 -58.2 -47.0 25.8 36.0 2.7 42 43 A C H ><>S+ 0 0 1 -4,-2.4 5,-2.5 1,-0.2 3,-1.0 0.931 113.1 51.1 -66.2 -44.5 24.8 39.4 1.4 43 44 A A H ><5S+ 0 0 73 -4,-2.2 3,-1.6 -5,-0.2 -1,-0.2 0.889 103.3 58.2 -60.9 -40.0 26.2 38.8 -2.1 44 45 A E H 3<5S+ 0 0 80 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.685 111.4 42.1 -71.3 -14.8 24.5 35.5 -2.6 45 46 A V T <<5S- 0 0 38 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.242 118.0-110.2-110.3 10.5 21.1 37.2 -2.1 46 47 A G T < 5 + 0 0 52 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.701 69.1 142.2 74.8 22.8 22.0 40.2 -4.2 47 48 A V < - 0 0 5 -5,-2.5 2,-0.2 -6,-0.2 -1,-0.2 -0.852 50.3-127.8-100.8 124.3 22.1 42.7 -1.3 48 49 A P - 0 0 52 0, 0.0 -16,-2.1 0, 0.0 2,-0.4 -0.512 34.2-179.7 -70.5 132.8 24.9 45.4 -1.5 49 50 A M E -c 32 0A 37 -2,-0.2 -16,-0.2 -18,-0.2 -6,-0.0 -1.000 24.7-152.2-140.2 139.1 26.9 45.5 1.7 50 51 A V E -c 33 0A 53 -18,-2.9 -16,-1.6 -2,-0.4 2,-0.2 -0.939 27.8-129.2-104.4 121.2 29.8 47.6 2.9 51 52 A P E -c 34 0A 65 0, 0.0 2,-0.4 0, 0.0 3,-0.0 -0.552 27.7-172.0 -74.7 137.0 32.0 45.8 5.5 52 53 A V - 0 0 2 -18,-2.3 29,-0.1 -2,-0.2 25,-0.0 -0.995 39.0 -27.7-133.9 126.8 32.7 47.7 8.7 53 54 A G S S- 0 0 28 -2,-0.4 2,-0.1 -18,-0.1 3,-0.1 -0.128 94.5 -14.5 78.4-165.8 35.0 46.9 11.5 54 55 A R S S- 0 0 45 1,-0.1 -17,-0.2 -19,-0.1 -2,-0.1 -0.379 72.5 -98.0 -74.9 150.4 36.4 43.7 13.0 55 56 A A - 0 0 10 -20,-0.1 -1,-0.1 1,-0.1 6,-0.1 -0.427 23.5-145.1 -64.7 142.4 35.0 40.2 12.2 56 57 A V S S+ 0 0 30 -48,-0.2 2,-0.4 11,-0.1 -1,-0.1 0.853 79.9 80.1 -78.4 -37.8 32.6 38.9 14.8 57 58 A R S >> S- 0 0 94 1,-0.1 3,-1.7 2,-0.0 4,-0.6 -0.601 77.0-141.9 -75.4 124.5 33.7 35.3 14.5 58 59 A A G >4 S+ 0 0 65 -2,-0.4 3,-1.7 1,-0.3 -1,-0.1 0.890 100.7 56.0 -52.4 -44.7 36.9 34.6 16.4 59 60 A G G 34 S+ 0 0 60 1,-0.3 -1,-0.3 198,-0.2 -2,-0.0 0.641 101.6 57.9 -65.3 -16.5 38.2 32.3 13.7 60 61 A A G <4 S+ 0 0 47 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.563 100.3 73.0 -87.6 -12.0 37.8 35.0 11.1 61 62 A R S << S- 0 0 37 -3,-1.7 3,-0.1 -4,-0.6 -5,-0.0 -0.534 94.4 -92.8 -96.1 166.5 40.1 37.3 13.0 62 63 A E > - 0 0 139 -2,-0.2 3,-2.0 1,-0.1 -1,-0.1 -0.353 60.8 -76.1 -69.4 156.4 43.9 37.2 13.4 63 64 A P T 3 S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.374 121.1 7.4 -56.1 129.4 45.3 35.3 16.4 64 65 A G T 3 S+ 0 0 81 1,-0.3 2,-0.3 -3,-0.1 -2,-0.0 0.302 91.8 142.0 81.2 -9.0 44.8 37.4 19.5 65 66 A E < - 0 0 64 -3,-2.0 -1,-0.3 -7,-0.1 -4,-0.1 -0.525 51.6-123.2 -70.3 125.3 42.8 40.0 17.7 66 67 A L - 0 0 71 -2,-0.3 -4,-0.1 -3,-0.1 -1,-0.1 -0.310 23.2-108.7 -71.3 149.1 40.0 41.3 19.9 67 68 A P > - 0 0 49 0, 0.0 3,-1.9 0, 0.0 6,-0.2 -0.320 29.9-107.8 -71.4 160.3 36.3 41.1 18.9 68 69 A P T 3 S+ 0 0 11 0, 0.0 9,-0.1 0, 0.0 -12,-0.1 0.753 118.7 58.5 -61.1 -23.1 34.3 44.3 18.0 69 70 A G T 3 S+ 0 0 56 -13,-0.1 2,-0.2 8,-0.0 5,-0.1 0.435 77.7 118.6 -84.9 -0.4 32.4 44.0 21.3 70 71 A A X - 0 0 14 -3,-1.9 3,-1.5 1,-0.1 4,-0.3 -0.484 65.5-137.4 -71.8 133.3 35.6 44.2 23.4 71 72 A A G > S+ 0 0 52 1,-0.3 3,-1.4 -2,-0.2 4,-0.3 0.849 100.3 64.3 -55.9 -35.9 35.6 47.2 25.8 72 73 A E G 3 S+ 0 0 152 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.700 107.8 39.3 -62.8 -24.7 39.3 47.8 24.9 73 74 A V G <> S+ 0 0 13 -3,-1.5 4,-2.3 -6,-0.2 3,-0.3 0.298 80.2 109.0-110.2 8.8 38.6 48.6 21.3 74 75 A V H <> S+ 0 0 11 -3,-1.4 4,-2.6 -4,-0.3 5,-0.2 0.846 77.0 54.0 -61.2 -36.1 35.4 50.6 21.6 75 76 A T H > S+ 0 0 91 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.918 111.2 46.8 -62.3 -42.6 37.0 53.9 20.7 76 77 A E H > S+ 0 0 90 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.900 110.7 52.9 -63.1 -43.0 38.3 52.3 17.5 77 78 A V H X S+ 0 0 8 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.941 109.2 48.0 -59.8 -49.8 34.9 50.8 16.8 78 79 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.937 113.5 48.3 -56.9 -47.3 33.1 54.2 17.1 79 80 A A H X S+ 0 0 36 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.896 109.9 52.3 -59.9 -41.8 35.7 55.8 14.8 80 81 A E H X S+ 0 0 45 -4,-2.6 4,-2.3 2,-0.2 5,-0.3 0.906 109.9 47.2 -64.4 -43.5 35.4 53.0 12.2 81 82 A W H X S+ 0 0 3 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.926 112.4 49.5 -66.0 -42.7 31.6 53.3 12.0 82 83 A F H < S+ 0 0 17 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.799 114.3 48.4 -63.5 -26.6 31.8 57.1 11.7 83 84 A D H < S+ 0 0 106 -4,-1.6 4,-0.3 -5,-0.2 -2,-0.2 0.890 120.2 31.3 -77.9 -41.1 34.4 56.6 9.0 84 85 A K H X S+ 0 0 73 -4,-2.3 4,-0.8 1,-0.1 3,-0.3 0.738 106.9 65.2 -96.9 -28.1 32.6 54.0 6.8 85 86 A V H >X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.3 3,-0.6 0.872 85.6 71.4 -66.3 -39.1 28.9 54.8 7.2 86 87 A P H 3> S+ 0 0 59 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.871 99.6 46.6 -48.7 -45.3 28.9 58.3 5.5 87 88 A A H 34 S+ 0 0 80 -4,-0.3 -2,-0.2 -3,-0.3 -3,-0.1 0.861 117.4 44.2 -64.1 -35.7 29.4 56.9 2.0 88 89 A A H << S+ 0 0 8 -4,-0.8 -1,-0.2 -3,-0.6 -3,-0.1 0.832 111.4 51.2 -78.9 -34.6 26.7 54.2 2.5 89 90 A I H >< S+ 0 0 6 -4,-2.8 3,-2.2 2,-0.1 -1,-0.2 0.692 82.6 113.0 -79.4 -18.4 24.1 56.5 4.2 90 91 A E T 3< S+ 0 0 150 -4,-1.3 3,-0.1 -5,-0.3 -3,-0.0 -0.305 85.7 13.9 -54.8 129.9 24.3 59.0 1.4 91 92 A G T 3 S+ 0 0 61 1,-0.3 2,-0.3 -90,-0.1 -1,-0.3 0.538 97.4 134.2 79.1 7.3 21.1 59.1 -0.6 92 93 A C < - 0 0 8 -3,-2.2 -1,-0.3 1,-0.1 -90,-0.2 -0.679 42.7-165.3 -93.0 147.9 19.2 57.2 2.1 93 94 A D S S+ 0 0 81 -92,-3.3 2,-0.3 -2,-0.3 -91,-0.2 0.486 74.1 8.9-106.9 -10.5 15.8 58.1 3.4 94 95 A A E -b 2 0A 0 -93,-0.5 -91,-2.5 22,-0.2 2,-0.4 -0.969 61.3-143.8-163.7 160.9 15.8 55.9 6.5 95 96 A V E -bd 3 118A 0 22,-2.2 24,-2.3 -2,-0.3 2,-0.4 -0.999 6.3-166.6-135.1 136.6 18.0 53.6 8.5 96 97 A V E +bd 4 119A 0 -93,-2.3 -91,-2.7 -2,-0.4 2,-0.3 -0.988 18.7 176.6-122.6 135.4 17.2 50.4 10.4 97 98 A T E +bd 5 120A 1 22,-2.6 24,-2.3 -2,-0.4 2,-0.3 -0.961 14.2 170.7-138.9 147.7 19.7 49.0 12.9 98 99 A T E +b 6 0A 6 -93,-1.6 -91,-0.7 -2,-0.3 2,-0.1 -0.918 45.2 27.8-138.8 176.1 20.3 46.2 15.4 99 100 A G E S+b 7 0A 13 22,-0.4 -91,-0.2 -2,-0.3 5,-0.1 -0.405 85.6 48.2 87.9-148.9 23.1 44.9 17.6 100 101 A L > - 0 0 40 -93,-2.8 4,-2.3 -2,-0.1 3,-0.2 0.034 63.6-143.7 -46.6 122.7 26.2 46.5 19.1 101 102 A L H > S+ 0 0 26 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.880 93.9 52.1 -60.4 -49.7 25.3 49.7 20.9 102 103 A P H > S+ 0 0 9 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.894 114.0 46.1 -58.1 -36.0 28.4 51.8 20.1 103 104 A A H > S+ 0 0 3 -3,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.925 111.7 51.8 -66.0 -44.3 28.0 51.1 16.4 104 105 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.883 108.0 50.9 -61.0 -40.7 24.2 51.8 16.6 105 106 A V H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.848 108.8 51.7 -67.8 -34.7 24.8 55.2 18.3 106 107 A A H X S+ 0 0 0 -4,-1.4 4,-2.0 -5,-0.3 -2,-0.2 0.950 112.0 47.4 -62.2 -48.1 27.3 56.1 15.6 107 108 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.926 111.2 49.2 -61.0 -47.6 24.7 55.2 12.9 108 109 A R H X S+ 0 0 76 -4,-2.9 4,-3.0 1,-0.2 -1,-0.2 0.900 107.7 56.6 -60.5 -37.7 21.9 57.1 14.6 109 110 A S H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.921 108.3 46.2 -57.9 -45.1 24.2 60.2 14.9 110 111 A M H X S+ 0 0 10 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.880 112.3 50.6 -68.2 -35.4 24.7 60.1 11.1 111 112 A A H X>S+ 0 0 0 -4,-2.3 5,-2.2 2,-0.2 4,-1.1 0.911 109.4 52.1 -62.1 -43.1 20.9 59.7 10.6 112 113 A E H <5S+ 0 0 73 -4,-3.0 3,-0.5 1,-0.2 -2,-0.2 0.914 107.8 51.2 -59.8 -45.6 20.4 62.7 12.9 113 114 A K H <5S+ 0 0 118 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.895 114.6 43.0 -57.7 -43.2 22.8 64.8 10.9 114 115 A L H <5S- 0 0 89 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.610 109.2-125.2 -79.6 -13.4 21.0 63.9 7.7 115 116 A G T <5 + 0 0 65 -4,-1.1 -3,-0.2 -3,-0.5 -4,-0.1 0.845 62.7 137.8 69.2 36.0 17.6 64.4 9.3 116 117 A I < - 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0 0 3 -5,-1.6 -1,-0.3 53,-0.2 -18,-0.1 -0.749 52.8-113.4 -88.5 134.1 10.6 19.8 13.0 305 306 A P - 0 0 7 0, 0.0 -18,-2.2 0, 0.0 2,-0.3 -0.318 42.4-142.7 -59.9 152.3 10.5 18.5 16.6 306 307 A Q E -jk 287 328C 0 21,-1.6 23,-2.4 -20,-0.2 2,-0.4 -0.840 30.3-164.9-126.0 151.6 13.2 20.1 18.8 307 308 A V E -jk 288 329C 0 -20,-2.4 -18,-2.3 -2,-0.3 2,-0.5 -0.957 25.1-158.0-125.1 116.7 15.7 19.5 21.6 308 309 A V E -jk 289 330C 0 21,-2.9 23,-2.5 -2,-0.4 -18,-0.2 -0.842 12.8-176.2 -98.8 126.9 16.9 22.9 22.8 309 310 A V - 0 0 0 -20,-3.2 2,-0.1 -2,-0.5 23,-0.1 -0.805 20.8-153.8-120.7 81.9 20.2 22.9 24.6 310 311 A P + 0 0 16 0, 0.0 -19,-0.1 0, 0.0 3,-0.1 -0.363 21.0 177.0 -72.6 137.6 20.6 26.5 25.7 311 312 A Q - 0 0 45 -21,-0.6 2,-0.2 1,-0.3 -20,-0.1 0.811 59.5 -26.7-103.0 -42.5 24.1 28.0 26.2 312 313 A K S > S+ 0 0 124 -22,-0.3 3,-2.1 -81,-0.1 -1,-0.3 -0.858 96.3 19.6-160.8-175.2 23.7 31.7 27.1 313 314 A A T 3 S- 0 0 72 1,-0.3 -21,-0.0 -2,-0.2 0, 0.0 -0.350 120.5 -12.3 70.9-155.9 21.3 34.7 26.7 314 315 A D T 3> S+ 0 0 32 1,-0.1 4,-1.5 2,-0.1 3,-0.4 -0.121 106.8 102.7 74.8 -58.8 18.1 34.5 25.8 315 316 A Q H <> S+ 0 0 20 -3,-2.1 4,-2.4 1,-0.2 5,-0.2 0.881 76.9 54.8 -64.8 -41.3 18.5 30.8 24.9 316 317 A P H > S+ 0 0 72 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.873 104.2 58.6 -57.0 -33.9 16.8 29.4 28.1 317 318 A Y H > S+ 0 0 49 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.936 108.2 44.2 -55.8 -49.5 13.8 31.6 27.2 318 319 A Y H X S+ 0 0 1 -4,-1.5 4,-2.6 -27,-0.3 -1,-0.2 0.875 109.7 55.0 -68.0 -37.3 13.5 29.9 23.8 319 320 A A H X S+ 0 0 3 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.936 110.6 47.2 -57.0 -45.8 14.0 26.4 25.4 320 321 A G H X S+ 0 0 38 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.875 110.6 51.3 -63.6 -40.5 11.1 27.2 27.7 321 322 A R H X S+ 0 0 36 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.916 109.8 49.7 -63.7 -44.2 8.9 28.5 24.8 322 323 A V H X>S+ 0 0 0 -4,-2.6 5,-1.7 2,-0.2 4,-0.9 0.920 113.4 46.2 -60.4 -45.2 9.6 25.3 22.8 323 324 A A H ><5S+ 0 0 45 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.926 112.6 50.4 -63.1 -44.5 8.7 23.2 25.8 324 325 A D H 3<5S+ 0 0 119 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.868 109.5 51.0 -61.5 -39.3 5.6 25.3 26.5 325 326 A L H 3<5S- 0 0 41 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.665 108.4-128.6 -72.1 -18.2 4.4 25.0 22.9 326 327 A G T <<5S+ 0 0 20 -4,-0.9 -3,-0.2 -3,-0.7 31,-0.2 0.710 78.0 113.3 78.5 21.9 4.9 21.2 23.1 327 328 A V S - 0 0 69 -98,-0.1 4,-2.8 1,-0.1 5,-0.3 -0.694 36.3-103.1-103.0 169.6 25.3 13.6 28.5 338 339 A V H > S+ 0 0 24 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.944 125.0 48.8 -57.6 -44.0 24.6 10.7 26.1 339 340 A E H > S+ 0 0 137 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.919 113.5 44.0 -61.7 -47.6 21.9 9.6 28.5 340 341 A S H > S+ 0 0 39 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.903 117.5 44.1 -69.9 -40.6 20.2 13.0 28.9 341 342 A L H X S+ 0 0 4 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.893 112.6 52.8 -71.0 -38.7 20.3 13.9 25.2 342 343 A S H X S+ 0 0 15 -4,-2.7 4,-2.5 -5,-0.3 -2,-0.2 0.920 110.8 47.7 -58.7 -44.6 19.2 10.3 24.2 343 344 A A H X S+ 0 0 58 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.910 112.6 48.3 -63.9 -42.5 16.2 10.7 26.6 344 345 A A H X S+ 0 0 7 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.913 112.6 49.0 -64.4 -43.2 15.4 14.2 25.2 345 346 A L H X S+ 0 0 0 -4,-2.8 4,-1.1 2,-0.2 -2,-0.2 0.891 106.1 56.0 -62.9 -42.0 15.6 12.8 21.6 346 347 A A H >< S+ 0 0 39 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.923 110.6 45.9 -56.8 -43.4 13.4 9.8 22.4 347 348 A T H >< S+ 0 0 77 -4,-1.9 3,-1.0 1,-0.2 6,-0.3 0.906 113.0 49.8 -63.8 -41.8 10.7 12.3 23.6 348 349 A A H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.576 104.8 60.2 -74.4 -9.7 11.3 14.5 20.5 349 350 A L T << S+ 0 0 41 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.287 76.9 115.3-105.3 11.4 11.0 11.5 18.1 350 351 A T S <> S- 0 0 56 -3,-1.0 4,-1.9 -4,-0.1 5,-0.1 -0.435 74.7-120.8 -77.2 152.8 7.4 10.4 19.0 351 352 A P H > S+ 0 0 112 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.864 112.4 58.1 -58.0 -34.9 4.6 10.6 16.5 352 353 A G H > S+ 0 0 31 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.942 107.1 43.4 -60.8 -52.3 2.7 12.9 18.8 353 354 A I H > S+ 0 0 4 -6,-0.3 4,-2.8 1,-0.2 5,-0.2 0.842 110.1 57.9 -66.7 -32.3 5.4 15.5 19.0 354 355 A R H X S+ 0 0 188 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.926 109.7 44.8 -58.6 -45.8 5.9 15.3 15.2 355 356 A A H X S+ 0 0 60 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.914 113.1 50.2 -65.9 -42.9 2.2 16.2 14.8 356 357 A R H X S+ 0 0 115 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.931 111.9 47.5 -61.2 -45.1 2.4 19.0 17.3 357 358 A A H X S+ 0 0 3 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.903 110.3 52.9 -63.6 -41.2 5.4 20.5 15.7 358 359 A A H X S+ 0 0 60 -4,-2.2 4,-0.8 -5,-0.2 -1,-0.2 0.907 111.5 47.0 -59.7 -41.5 3.7 20.2 12.2 359 360 A A H >< S+ 0 0 68 -4,-2.2 3,-0.7 1,-0.2 4,-0.3 0.918 110.2 49.7 -69.1 -44.8 0.7 22.1 13.6 360 361 A V H >< S+ 0 0 23 -4,-2.5 3,-2.0 1,-0.2 4,-0.5 0.862 99.6 68.8 -65.3 -30.9 2.6 24.9 15.3 361 362 A A H >< S+ 0 0 10 -4,-1.9 3,-1.3 1,-0.3 -1,-0.2 0.870 93.8 57.0 -52.2 -41.5 4.6 25.4 12.1 362 363 A G T << S+ 0 0 64 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.600 100.3 58.7 -68.9 -12.3 1.5 26.7 10.3 363 364 A T T < S+ 0 0 71 -3,-2.0 2,-0.7 -4,-0.3 -1,-0.3 0.523 82.5 96.6 -93.5 -8.8 1.0 29.4 13.0 364 365 A I < - 0 0 3 -3,-1.3 2,-0.1 -4,-0.5 -183,-0.0 -0.744 68.9-143.0 -88.6 115.7 4.5 31.1 12.4 365 366 A R - 0 0 146 -2,-0.7 -166,-0.3 1,-0.1 3,-0.1 -0.448 16.6-170.5 -77.0 150.3 4.2 34.0 10.0 366 367 A T + 0 0 63 -2,-0.1 3,-0.4 1,-0.1 -165,-0.4 0.300 68.4 83.9-119.9 7.3 6.9 34.8 7.5 367 368 A D >> + 0 0 58 1,-0.2 4,-1.5 2,-0.1 3,-1.3 0.176 48.0 115.7-101.5 16.8 5.8 38.2 6.3 368 369 A G H 3> S+ 0 0 0 -169,-0.7 4,-2.4 1,-0.3 -168,-0.2 0.828 72.7 59.5 -53.1 -36.9 7.4 40.3 9.1 369 370 A T H 3> S+ 0 0 7 -3,-0.4 4,-2.2 -170,-0.4 -1,-0.3 0.799 102.1 54.1 -65.4 -27.6 9.7 42.0 6.5 370 371 A T H <> S+ 0 0 42 -3,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.894 107.2 50.0 -71.4 -39.9 6.5 43.3 4.7 371 372 A V H X S+ 0 0 53 -4,-1.5 4,-2.5 -174,-0.3 -2,-0.2 0.950 112.5 48.0 -58.3 -48.3 5.2 44.8 7.9 372 373 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.891 109.1 53.1 -60.7 -41.1 8.7 46.5 8.4 373 374 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.902 110.2 47.7 -60.8 -41.9 8.6 47.7 4.8 374 375 A K H X S+ 0 0 107 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.890 109.7 52.7 -66.8 -40.5 5.2 49.3 5.3 375 376 A L H X S+ 0 0 46 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.903 110.7 48.3 -58.8 -41.9 6.5 50.9 8.6 376 377 A L H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.917 108.0 54.2 -65.6 -44.0 9.4 52.3 6.6 377 378 A L H X S+ 0 0 21 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.923 111.9 44.8 -52.8 -47.7 7.1 53.7 3.9 378 379 A E H X S+ 0 0 70 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.866 112.3 51.0 -68.9 -37.2 5.1 55.5 6.5 379 380 A A H < S+ 0 0 19 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.877 114.8 43.1 -66.1 -39.9 8.1 56.9 8.3 380 381 A I H < S+ 0 0 63 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.902 112.6 52.6 -71.8 -43.8 9.6 58.2 5.1 381 382 A S H < 0 0 82 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.838 360.0 360.0 -61.1 -37.1 6.3 59.6 3.8 382 383 A R < 0 0 244 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.763 360.0 360.0 -78.6 360.0 5.7 61.6 7.1 383 ! 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 0.0 384 533 A A > 0 0 119 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-155.7 6.9 55.9 -5.4 385 534 A K H > + 0 0 57 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.799 360.0 53.7 -61.2 -32.5 7.9 52.3 -6.2 386 535 A L H > S+ 0 0 21 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.935 110.5 43.9 -70.2 -48.2 7.6 51.3 -2.5 387 536 A A H > S+ 0 0 40 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.894 116.7 49.3 -60.8 -41.1 4.0 52.5 -2.1 388 537 A A H < S+ 0 0 71 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.892 110.9 48.9 -64.6 -42.2 3.2 51.0 -5.4 389 538 A A H < S+ 0 0 49 -4,-2.2 -2,-0.2 -363,-0.3 -1,-0.2 0.848 112.6 46.9 -69.3 -36.0 4.8 47.6 -4.6 390 539 A L H < 0 0 45 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.794 360.0 360.0 -77.0 -28.6 3.0 47.4 -1.2 391 540 A E < 0 0 118 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.855 360.0 360.0 -70.8 360.0 -0.3 48.3 -2.8