==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-JUL-12 4G2T . COMPND 2 MOLECULE: SSFS6; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES SP. SF2575; . AUTHOR F.WANG,M.ZHOU,S.SINGH,C.A.BINGMAN,J.S.THORSON,G.N.PHILLIPS J . 356 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15631.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 247 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 53 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 23 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 3 0 1 0 4 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 1 4 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 . 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 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 0 A H 0 0 165 0, 0.0 2,-0.3 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 112.1 -18.7 -24.5 -28.6 2 1 A X - 0 0 39 23,-0.1 29,-3.3 2,-0.0 2,-0.6 -0.782 360.0-133.8-119.7 158.9 -15.8 -23.4 -26.5 3 2 A R E -a 31 0A 89 -2,-0.3 108,-2.8 27,-0.2 109,-1.3 -0.956 29.5-168.6-108.9 111.9 -12.1 -24.0 -26.0 4 3 A I E -ab 32 112A 0 27,-3.5 29,-1.9 -2,-0.6 2,-0.8 -0.895 12.1-154.5-111.3 115.7 -11.4 -24.5 -22.3 5 4 A L E -ab 33 113A 0 107,-1.9 109,-1.4 -2,-0.6 2,-0.6 -0.771 12.3-156.8 -88.6 108.5 -7.9 -24.5 -21.0 6 5 A V E -ab 34 114A 1 27,-2.4 29,-3.9 -2,-0.8 2,-0.6 -0.769 5.2-161.4 -89.9 118.2 -7.8 -26.5 -17.7 7 6 A I E +ab 35 115A 0 107,-2.7 109,-0.6 -2,-0.6 29,-0.2 -0.883 16.5 175.7-106.4 117.8 -4.9 -25.5 -15.5 8 7 A A - 0 0 1 27,-2.4 7,-0.2 -2,-0.6 29,-0.1 -0.524 24.4-100.2-116.7 179.9 -3.9 -28.1 -12.8 9 8 A G - 0 0 1 5,-0.8 28,-1.0 2,-0.2 -1,-0.2 0.158 34.7 -99.5 -87.7-158.0 -1.3 -28.6 -10.1 10 9 A C S S+ 0 0 1 26,-0.1 2,-0.3 29,-0.1 48,-0.2 0.386 96.1 52.6-113.6 -0.0 1.8 -30.8 -9.8 11 10 A S S > S- 0 0 10 48,-0.1 3,-2.2 29,-0.1 4,-0.5 -0.945 90.4-104.2-134.1 161.0 0.5 -33.7 -7.8 12 11 A E G >> S+ 0 0 53 -2,-0.3 4,-2.4 1,-0.3 3,-1.1 0.779 114.4 62.9 -52.9 -35.1 -2.4 -36.1 -8.2 13 12 A G G 34 S+ 0 0 36 1,-0.3 -1,-0.3 2,-0.2 266,-0.0 0.690 106.5 44.6 -66.4 -19.4 -4.5 -34.5 -5.5 14 13 A F G <4 S+ 0 0 8 -3,-2.2 -5,-0.8 2,-0.1 -1,-0.3 0.426 120.0 40.0-103.0 -2.3 -4.6 -31.2 -7.5 15 14 A V T X4 S+ 0 0 3 -3,-1.1 3,-1.9 -4,-0.5 4,-0.5 0.797 103.3 59.9-110.4 -52.4 -5.4 -32.8 -10.9 16 15 A X G >< S+ 0 0 32 -4,-2.4 3,-1.5 1,-0.3 -3,-0.1 0.828 98.4 57.6 -50.8 -44.0 -7.9 -35.7 -10.3 17 16 A P G 3 S+ 0 0 7 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.605 103.2 56.4 -70.4 -5.7 -10.7 -33.6 -8.9 18 17 A L G <> S+ 0 0 2 -3,-1.9 4,-1.6 1,-0.1 -2,-0.2 0.553 88.6 80.9 -93.8 -12.0 -10.7 -31.4 -12.0 19 18 A V H <> S+ 0 0 7 -3,-1.5 4,-2.6 -4,-0.5 5,-0.3 0.905 85.9 52.0 -61.0 -47.9 -11.3 -34.5 -14.2 20 19 A P H > S+ 0 0 26 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.908 113.3 43.7 -61.0 -42.0 -15.0 -34.9 -13.8 21 20 A L H > S+ 0 0 2 -4,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.827 112.3 54.4 -71.1 -32.0 -15.8 -31.2 -14.7 22 21 A S H X S+ 0 0 1 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.913 112.1 42.9 -65.6 -44.0 -13.4 -31.4 -17.6 23 22 A W H X S+ 0 0 114 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.799 108.8 59.4 -71.2 -29.4 -15.1 -34.4 -19.0 24 23 A A H X S+ 0 0 16 -4,-1.8 4,-0.7 -5,-0.3 -1,-0.2 0.857 108.5 45.4 -65.0 -35.3 -18.5 -32.8 -18.3 25 24 A L H ><>S+ 0 0 2 -4,-1.6 5,-2.0 2,-0.2 3,-0.6 0.901 112.6 49.6 -71.2 -43.4 -17.3 -30.0 -20.6 26 25 A R H ><5S+ 0 0 115 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.839 106.4 57.0 -64.5 -33.5 -16.1 -32.4 -23.2 27 26 A A H 3<5S+ 0 0 85 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.768 100.6 58.3 -67.8 -26.0 -19.4 -34.2 -23.0 28 27 A A T <<5S- 0 0 44 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.240 127.6 -98.8 -89.6 12.7 -21.1 -31.0 -23.9 29 28 A G T < 5S+ 0 0 44 -3,-1.4 -3,-0.2 1,-0.3 2,-0.1 0.545 79.1 137.5 87.3 9.1 -19.1 -30.8 -27.1 30 29 A H < - 0 0 3 -5,-2.0 2,-0.6 -29,-0.1 -1,-0.3 -0.472 57.1-113.6 -88.8 159.6 -16.5 -28.4 -25.9 31 30 A E E -a 3 0A 59 -29,-3.3 -27,-3.5 -2,-0.1 2,-0.4 -0.826 36.2-171.8 -95.0 119.4 -12.7 -28.5 -26.5 32 31 A V E +a 4 0A 8 -2,-0.6 2,-0.4 -29,-0.2 -27,-0.2 -0.904 13.1 179.5-116.9 140.8 -10.7 -29.2 -23.4 33 32 A L E -a 5 0A 20 -29,-1.9 -27,-2.4 -2,-0.4 2,-0.6 -0.958 17.6-147.4-138.7 119.6 -7.0 -29.1 -22.8 34 33 A V E -ac 6 51A 5 16,-2.2 18,-1.9 -2,-0.4 2,-0.6 -0.772 12.6-166.3 -92.2 119.6 -5.4 -29.9 -19.4 35 34 A A E +ac 7 52A 0 -29,-3.9 -27,-2.4 -2,-0.6 2,-0.2 -0.916 27.9 129.8-108.2 121.1 -2.2 -27.9 -18.7 36 35 A A E - c 0 53A 0 16,-1.3 18,-2.1 -2,-0.6 19,-0.5 -0.855 59.5 -50.9-150.9-175.7 -0.0 -29.1 -15.8 37 36 A S E > - c 0 55A 0 -28,-1.0 3,-2.2 -2,-0.2 4,-0.2 -0.291 57.0-109.2 -64.5 153.9 3.5 -30.0 -14.7 38 37 A E G > S+ 0 0 113 17,-2.6 3,-1.0 18,-0.4 19,-0.2 0.748 117.3 58.9 -61.1 -26.4 5.2 -32.6 -16.9 39 38 A N G 3 S+ 0 0 38 17,-0.3 -1,-0.3 1,-0.2 4,-0.2 0.582 97.1 62.2 -78.9 -9.5 5.0 -35.3 -14.2 40 39 A X G <> S+ 0 0 6 -3,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.353 76.5 97.7 -95.5 4.2 1.2 -35.0 -14.2 41 40 A G H <> S+ 0 0 6 -3,-1.0 4,-2.8 1,-0.2 5,-0.4 0.954 81.2 46.3 -53.8 -61.0 1.0 -36.1 -17.8 42 41 A P H > S+ 0 0 96 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.785 112.6 53.3 -55.6 -30.9 0.2 -39.8 -17.2 43 42 A T H 4 S+ 0 0 21 -4,-0.2 4,-0.4 2,-0.2 -2,-0.2 0.929 113.1 41.6 -70.0 -46.9 -2.4 -38.7 -14.6 44 43 A V H ><>S+ 0 0 1 -4,-2.2 5,-1.7 1,-0.2 3,-1.1 0.948 120.7 40.8 -64.4 -51.7 -4.2 -36.4 -17.1 45 44 A T H ><5S+ 0 0 75 -4,-2.8 3,-1.4 1,-0.3 -1,-0.2 0.763 107.1 63.6 -72.5 -25.2 -4.0 -38.7 -20.1 46 45 A G T 3<5S+ 0 0 20 -4,-1.3 -1,-0.3 -5,-0.4 -2,-0.2 0.640 100.3 54.7 -70.2 -14.5 -4.8 -41.7 -17.9 47 46 A A T < 5S- 0 0 13 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.362 126.2-104.8 -96.4 1.2 -8.2 -39.9 -17.3 48 47 A G T < 5S+ 0 0 48 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.654 79.4 129.5 86.3 18.1 -8.7 -39.7 -21.1 49 48 A L < - 0 0 8 -5,-1.7 -1,-0.3 1,-0.0 -2,-0.2 -0.809 63.5-106.4-110.4 146.2 -7.9 -36.0 -21.3 50 49 A P - 0 0 66 0, 0.0 -16,-2.2 0, 0.0 2,-0.4 -0.402 41.4-153.8 -64.0 143.5 -5.5 -34.1 -23.7 51 50 A F E +c 34 0A 52 -18,-0.2 -16,-0.2 -2,-0.1 -10,-0.1 -0.947 22.7 177.6-130.6 144.8 -2.3 -32.9 -22.0 52 51 A A E -c 35 0A 15 -18,-1.9 -16,-1.3 -2,-0.4 2,-0.2 -0.966 28.3-127.6-143.0 126.8 0.2 -30.2 -22.4 53 52 A P E -c 36 0A 56 0, 0.0 -16,-0.2 0, 0.0 -18,-0.1 -0.503 19.6-177.3 -76.7 138.4 3.2 -29.6 -20.0 54 53 A T E S- 0 0 2 -18,-2.1 46,-0.6 1,-0.4 47,-0.3 0.466 73.9 -0.5-109.6 -8.2 3.7 -26.1 -18.5 55 54 A C E S-c 37 0A 11 -19,-0.5 -17,-2.6 45,-0.1 -1,-0.4 -0.957 85.5 -83.9-168.8 161.7 6.9 -27.0 -16.7 56 55 A P S S- 0 0 94 0, 0.0 -18,-0.4 0, 0.0 -17,-0.3 0.045 77.3 -47.4 -61.7-178.2 9.3 -30.0 -16.1 57 56 A S S S+ 0 0 80 -19,-0.2 2,-0.3 -20,-0.2 -47,-0.0 -0.309 75.7 173.0 -55.7 131.0 8.6 -32.6 -13.4 58 57 A L - 0 0 4 -48,-0.2 2,-0.3 -3,-0.1 -21,-0.1 -1.000 24.7-164.5-151.9 141.3 7.8 -30.7 -10.1 59 58 A D >> - 0 0 81 -2,-0.3 3,-0.8 1,-0.1 4,-0.7 -0.883 34.5-112.8-122.1 157.2 6.7 -31.3 -6.6 60 59 A X H >> S+ 0 0 13 -2,-0.3 4,-2.5 1,-0.2 3,-0.9 0.856 108.3 64.0 -56.2 -43.0 5.3 -28.9 -4.0 61 60 A P H 3> S+ 0 0 82 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.819 96.1 59.6 -55.5 -32.3 8.2 -29.0 -1.5 62 61 A E H <4 S+ 0 0 75 -3,-0.8 -2,-0.2 1,-0.2 4,-0.2 0.891 115.1 34.8 -59.2 -40.5 10.6 -27.5 -4.1 63 62 A V H << S+ 0 0 3 -3,-0.9 3,-0.4 -4,-0.7 -1,-0.2 0.802 119.1 49.3 -86.1 -32.6 8.4 -24.4 -4.3 64 63 A L H < S+ 0 0 30 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.1 0.768 108.3 52.6 -80.8 -26.4 7.3 -24.3 -0.7 65 64 A S S < S+ 0 0 29 -4,-2.1 8,-2.8 -5,-0.3 2,-0.4 0.448 110.2 50.5 -92.1 -1.2 10.8 -24.6 0.8 66 65 A W B -G 72 0B 109 -3,-0.4 6,-0.2 6,-0.3 2,-0.1 -1.000 69.5-149.8-139.2 140.5 12.4 -21.8 -1.2 67 66 A D > - 0 0 37 4,-1.9 3,-1.0 -2,-0.4 -2,-0.0 -0.324 39.7 -91.1 -97.9-177.6 11.3 -18.2 -1.8 68 67 A R T 3 S+ 0 0 109 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.826 124.6 60.4 -63.3 -33.3 11.8 -15.8 -4.7 69 68 A E T 3 S- 0 0 152 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.744 117.4-114.0 -65.7 -24.1 15.0 -14.5 -3.2 70 69 A G S < S+ 0 0 49 -3,-1.0 2,-0.3 1,-0.3 -2,-0.1 0.510 71.3 136.8 99.5 9.3 16.4 -18.1 -3.4 71 70 A N - 0 0 90 1,-0.1 -4,-1.9 0, 0.0 -1,-0.3 -0.690 60.4-105.4 -94.2 141.7 16.6 -18.5 0.3 72 71 A R B -G 66 0B 167 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.3 -0.368 36.5-153.7 -61.4 135.6 15.5 -21.7 2.2 73 72 A T - 0 0 29 -8,-2.8 2,-0.3 -2,-0.1 -1,-0.0 -0.859 3.8-153.5-113.6 150.5 12.2 -21.3 4.1 74 73 A T - 0 0 116 -2,-0.3 -8,-0.0 -8,-0.0 11,-0.0 -0.807 24.8-102.9-118.3 162.6 10.9 -23.1 7.2 75 74 A X - 0 0 116 -2,-0.3 7,-0.1 1,-0.0 2,-0.1 -0.725 29.3-128.7 -91.2 127.5 7.4 -23.9 8.4 76 75 A P - 0 0 39 0, 0.0 9,-0.0 0, 0.0 -1,-0.0 -0.426 5.6-145.2 -65.5 144.5 5.9 -21.9 11.2 77 76 A R S S+ 0 0 227 -2,-0.1 2,-0.2 4,-0.0 5,-0.0 0.820 79.9 90.3 -79.7 -34.5 4.4 -23.9 14.1 78 77 A E S > S- 0 0 150 1,-0.1 4,-1.4 4,-0.0 5,-0.1 -0.479 80.8-137.0 -61.0 126.4 1.6 -21.4 14.6 79 78 A E H > S+ 0 0 61 -2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.870 94.1 56.4 -58.1 -42.9 -1.2 -22.5 12.3 80 79 A K H > S+ 0 0 126 1,-0.2 4,-1.5 2,-0.2 3,-0.4 0.941 113.1 35.7 -62.0 -54.1 -2.1 -19.1 11.0 81 80 A P H > S+ 0 0 38 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.713 111.8 64.6 -74.4 -14.8 1.2 -18.0 9.5 82 81 A L H X S+ 0 0 15 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.854 103.0 47.7 -67.2 -36.1 1.8 -21.7 8.5 83 82 A L H X S+ 0 0 11 -4,-1.7 4,-2.3 -3,-0.4 -1,-0.2 0.859 111.7 48.9 -71.2 -37.2 -1.2 -21.2 6.2 84 83 A E H X S+ 0 0 59 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.863 109.6 53.3 -68.5 -36.6 0.2 -18.0 4.9 85 84 A H H X S+ 0 0 6 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.930 110.9 45.7 -60.8 -47.6 3.5 -19.9 4.4 86 85 A I H >X S+ 0 0 11 -4,-2.1 4,-1.4 1,-0.2 3,-0.6 0.900 109.9 55.7 -61.7 -42.7 1.7 -22.6 2.4 87 86 A G H 3X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.3 3,-0.2 0.888 103.2 53.0 -58.6 -43.2 -0.1 -19.9 0.4 88 87 A R H 3X S+ 0 0 78 -4,-2.1 4,-1.9 1,-0.2 -1,-0.3 0.750 103.2 61.4 -65.0 -23.2 3.1 -18.2 -0.7 89 88 A G H X S+ 0 0 0 -4,-1.7 4,-0.6 1,-0.2 3,-0.5 0.902 108.6 44.8 -65.3 -42.4 2.0 -18.3 -5.4 92 91 A R H 3< S+ 0 0 12 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.660 101.6 68.7 -77.6 -16.5 5.6 -19.2 -6.3 93 92 A L H >X S+ 0 0 3 -4,-1.0 3,-0.8 1,-0.2 4,-0.8 0.826 94.0 58.7 -66.2 -32.0 4.3 -22.3 -8.1 94 93 A V H XX S+ 0 0 0 -4,-0.9 4,-3.1 -3,-0.5 3,-0.7 0.857 95.9 61.5 -64.9 -36.4 2.7 -19.9 -10.6 95 94 A L H 3< S+ 0 0 41 -4,-0.6 4,-0.3 1,-0.2 -1,-0.2 0.723 105.3 48.6 -63.3 -22.0 6.2 -18.5 -11.4 96 95 A R H <4 S+ 0 0 125 -3,-0.8 -1,-0.2 -4,-0.5 4,-0.2 0.682 122.0 31.5 -90.3 -20.7 7.2 -22.0 -12.6 97 96 A X H S+ 0 0 112 -4,-0.3 4,-2.5 2,-0.2 3,-0.3 0.973 117.0 30.9 -58.4 -62.8 5.6 -18.9 -19.1 100 99 A E H > S+ 0 0 114 -46,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.808 119.6 56.8 -66.9 -29.6 4.7 -22.1 -20.9 101 100 A A H X S+ 0 0 0 -4,-2.3 4,-0.9 -47,-0.3 -1,-0.2 0.819 110.8 43.9 -70.0 -31.4 1.1 -21.8 -19.7 102 101 A L H X S+ 0 0 46 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.942 113.5 48.3 -76.8 -50.7 0.9 -18.3 -21.3 103 102 A A H X S+ 0 0 32 -4,-2.5 4,-1.6 1,-0.3 -2,-0.2 0.848 112.4 50.5 -58.1 -36.8 2.6 -19.3 -24.6 104 103 A L H X S+ 0 0 40 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.3 0.839 110.6 50.0 -67.9 -33.8 0.3 -22.3 -24.8 105 104 A A H X S+ 0 0 0 -4,-0.9 4,-1.3 -3,-0.2 -2,-0.2 0.803 106.9 54.7 -75.1 -30.9 -2.6 -20.0 -24.2 106 105 A E H < S+ 0 0 110 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.916 117.1 35.6 -65.4 -44.0 -1.5 -17.6 -26.9 107 106 A R H < S+ 0 0 211 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.1 0.866 121.8 42.4 -82.2 -39.7 -1.4 -20.4 -29.5 108 107 A W H < S- 0 0 40 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.772 92.6-151.5 -80.1 -26.6 -4.3 -22.5 -28.5 109 108 A K < - 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0 0 8 -5,-2.6 -1,-0.2 48,-0.2 -18,-0.1 -0.954 48.4-121.1-116.1 125.3 -18.3 -44.4 4.4 290 307 A P - 0 0 2 0, 0.0 -18,-2.0 0, 0.0 2,-0.3 -0.358 34.8-150.7 -61.8 139.6 -17.2 -43.5 7.9 291 308 A Q E -kl 272 313C 0 21,-1.1 23,-2.2 -20,-0.2 2,-0.7 -0.862 22.6-147.8-120.9 146.2 -13.5 -42.3 8.1 292 309 A V E -kl 273 314C 0 -20,-3.8 -18,-2.3 -2,-0.3 2,-0.5 -0.887 31.8-162.0-106.2 97.5 -10.7 -42.4 10.5 293 310 A S E -kl 274 315C 0 21,-1.0 23,-3.2 -2,-0.7 -18,-0.2 -0.704 19.7-176.0 -90.1 123.0 -8.9 -39.2 9.6 294 311 A V - 0 0 24 -20,-2.7 2,-0.3 -2,-0.5 -17,-0.1 -0.801 24.8-146.5-113.1 85.9 -5.3 -38.6 10.6 295 312 A P + 0 0 13 0, 0.0 -19,-0.2 0, 0.0 -20,-0.1 -0.353 30.9 162.5 -62.6 111.3 -4.6 -35.1 9.3 296 313 A V + 0 0 78 -21,-1.7 2,-0.2 -2,-0.3 -20,-0.1 0.911 55.8 59.2 -92.3 -60.1 -1.0 -34.7 8.2 297 314 A I S > S- 0 0 40 -22,-0.4 3,-1.3 1,-0.1 4,-0.2 -0.476 79.0-130.8 -78.1 143.0 -0.9 -31.7 6.0 298 315 A A G > S+ 0 0 12 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.804 101.3 62.3 -63.2 -33.3 -1.9 -28.3 7.5 299 316 A E G 3 S+ 0 0 4 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.602 101.5 52.7 -73.9 -9.9 -4.2 -27.3 4.6 300 317 A V G <> S+ 0 0 6 -3,-1.3 4,-1.6 1,-0.1 -1,-0.3 0.380 82.2 94.3-102.8 2.3 -6.5 -30.3 5.3 301 318 A W H <> S+ 0 0 62 -3,-1.4 4,-1.2 1,-0.2 -2,-0.1 0.905 82.5 50.6 -61.4 -46.2 -7.0 -29.5 9.0 302 319 A D H > S+ 0 0 44 -4,-0.4 4,-2.1 1,-0.2 3,-0.3 0.887 108.4 53.3 -59.7 -41.0 -10.2 -27.5 8.6 303 320 A S H > S+ 0 0 2 -162,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.867 107.1 50.8 -63.5 -38.2 -11.7 -30.3 6.5 304 321 A A H X S+ 0 0 2 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.736 109.1 52.9 -72.5 -23.0 -11.0 -32.9 9.2 305 322 A R H X S+ 0 0 101 -4,-1.2 4,-2.1 -3,-0.3 -2,-0.2 0.886 109.1 47.2 -77.2 -42.2 -12.6 -30.6 11.8 306 323 A L H X S+ 0 0 35 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.840 114.6 50.0 -64.1 -33.7 -15.8 -30.3 9.7 307 324 A L H <>S+ 0 0 1 -4,-1.7 5,-1.5 -5,-0.2 6,-0.6 0.945 111.7 44.5 -70.5 -51.1 -15.8 -34.1 9.3 308 325 A H H ><5S+ 0 0 78 -4,-2.1 3,-0.8 1,-0.2 -2,-0.2 0.857 111.3 55.1 -62.6 -37.7 -15.3 -34.9 13.0 309 326 A A H 3<5S+ 0 0 85 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.891 105.3 51.0 -64.3 -41.5 -17.9 -32.4 14.0 310 327 A A T 3<5S- 0 0 19 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.543 111.1-122.9 -75.2 -6.7 -20.6 -33.9 11.8 311 328 A G T < 5S+ 0 0 17 -3,-0.8 25,-0.3 -4,-0.4 26,-0.3 0.667 76.2 127.7 73.3 16.9 -19.8 -37.3 13.3 312 329 A A S 0 0 111 0, 0.0 4,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -46.9 -5.3 -44.6 19.2 320 343 A V H > + 0 0 21 2,-0.2 4,-1.0 3,-0.1 5,-0.1 0.604 360.0 56.0 -91.6 -22.1 -6.3 -44.9 15.5 321 344 A L H > S+ 0 0 43 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.800 108.1 48.2 -68.6 -33.1 -6.8 -48.5 16.4 322 345 A A H > S+ 0 0 61 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.844 105.8 56.9 -75.4 -35.0 -9.2 -47.1 19.1 323 346 A A H X S+ 0 0 3 -4,-0.7 4,-0.8 1,-0.2 -1,-0.2 0.806 106.8 50.3 -66.4 -30.5 -10.9 -44.8 16.6 324 347 A C H >X S+ 0 0 0 -4,-1.0 4,-3.5 2,-0.2 3,-0.6 0.931 109.8 46.8 -74.5 -48.2 -11.8 -47.8 14.4 325 348 A A H 3X S+ 0 0 18 -4,-1.4 4,-1.3 1,-0.3 5,-0.3 0.801 108.6 58.8 -62.7 -28.8 -13.3 -49.9 17.1 326 349 A R H 3X S+ 0 0 139 -4,-1.6 4,-1.4 2,-0.2 -1,-0.3 0.805 114.6 35.8 -68.1 -31.0 -15.2 -46.8 18.2 327 350 A I H << S+ 0 0 10 -4,-0.8 -2,-0.2 -3,-0.6 7,-0.2 0.779 111.8 60.7 -88.9 -32.6 -16.7 -46.8 14.7 328 351 A R H < S+ 0 0 95 -4,-3.5 -2,-0.2 1,-0.2 -3,-0.2 0.767 119.0 28.8 -64.5 -25.7 -16.9 -50.6 14.5 329 352 A D H < S+ 0 0 116 -4,-1.3 2,-0.4 -5,-0.2 -2,-0.2 0.815 111.4 66.4-104.5 -43.3 -19.2 -50.5 17.5 330 353 A D < - 0 0 71 -4,-1.4 3,-0.4 -5,-0.3 4,-0.3 -0.704 60.6-164.5 -85.8 132.6 -21.0 -47.2 17.4 331 354 A S S > S+ 0 0 94 -2,-0.4 4,-1.7 1,-0.2 3,-0.2 0.472 70.8 87.5 -98.0 -3.8 -23.3 -46.9 14.4 332 355 A S H > S+ 0 0 51 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.749 84.2 60.5 -67.2 -23.2 -23.8 -43.1 14.5 333 356 A Y H > S+ 0 0 19 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.902 105.5 44.9 -70.9 -42.8 -20.7 -42.7 12.3 334 357 A V H > S+ 0 0 38 -4,-0.3 4,-2.1 -3,-0.2 5,-0.2 0.881 111.4 55.7 -66.5 -38.6 -22.2 -44.7 9.4 335 358 A G H X S+ 0 0 42 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.922 110.5 42.0 -61.6 -48.8 -25.5 -42.8 9.7 336 359 A N H X S+ 0 0 42 -4,-1.9 4,-2.4 -25,-0.3 5,-0.2 0.918 112.0 55.4 -65.5 -43.2 -24.0 -39.4 9.4 337 360 A A H X S+ 0 0 1 -4,-2.0 4,-1.7 -26,-0.3 -49,-0.3 0.882 112.6 42.9 -56.2 -41.0 -21.6 -40.5 6.6 338 361 A R H X S+ 0 0 163 -4,-2.1 4,-2.1 -50,-0.3 -1,-0.2 0.812 110.6 56.1 -75.5 -32.0 -24.6 -41.8 4.6 339 362 A R H X S+ 0 0 103 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.879 111.1 44.1 -65.6 -38.2 -26.7 -38.7 5.5 340 363 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.850 111.2 52.7 -77.4 -35.5 -24.0 -36.5 4.0 341 364 A A H X S+ 0 0 17 -4,-1.7 4,-1.5 -5,-0.2 -2,-0.2 0.888 110.5 49.3 -63.2 -39.8 -23.6 -38.7 0.9 342 365 A A H X S+ 0 0 59 -4,-2.1 4,-0.6 1,-0.2 -2,-0.2 0.852 110.4 51.3 -66.1 -35.5 -27.3 -38.4 0.4 343 366 A E H >X S+ 0 0 34 -4,-1.4 3,-0.9 1,-0.2 4,-0.7 0.888 107.4 51.3 -69.9 -41.1 -27.0 -34.6 0.8 344 367 A X H >< S+ 0 0 2 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.835 101.4 62.7 -64.5 -33.2 -24.2 -34.3 -1.8 345 368 A A H 3< S+ 0 0 48 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.737 98.6 56.5 -65.0 -23.1 -26.3 -36.3 -4.3 346 369 A T H << S+ 0 0 109 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.779 89.3 96.0 -77.6 -28.5 -28.9 -33.6 -4.2 347 370 A L S << S- 0 0 15 -4,-0.7 -159,-0.1 -3,-0.7 -158,-0.1 -0.204 92.7 -82.4 -63.3 152.5 -26.4 -30.9 -5.2 348 371 A P - 0 0 48 0, 0.0 -159,-4.1 0, 0.0 -1,-0.1 -0.233 47.7-122.8 -54.6 141.9 -26.0 -29.9 -8.9 349 372 A T > - 0 0 44 -161,-0.2 4,-2.0 -3,-0.1 3,-0.2 -0.380 24.0-106.7 -81.1 163.0 -23.9 -32.3 -11.0 350 373 A P H > S+ 0 0 12 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.822 126.6 56.9 -55.7 -30.1 -20.8 -31.2 -13.0 351 374 A A H > S+ 0 0 44 2,-0.2 4,-1.2 1,-0.2 -330,-0.0 0.881 105.0 49.4 -66.6 -39.9 -23.1 -31.6 -16.0 352 375 A D H > S+ 0 0 44 1,-0.2 4,-1.4 -3,-0.2 -1,-0.2 0.866 109.6 52.5 -64.7 -37.2 -25.5 -29.1 -14.4 353 376 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.848 99.9 61.5 -70.1 -35.6 -22.7 -26.7 -13.8 354 377 A V H X S+ 0 0 3 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.901 103.7 50.7 -56.2 -42.6 -21.5 -26.9 -17.5 355 378 A R H X S+ 0 0 133 -4,-1.2 4,-2.7 2,-0.2 -1,-0.2 0.917 108.5 51.4 -61.4 -45.3 -24.9 -25.5 -18.5 356 379 A L H X S+ 0 0 65 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.899 111.1 48.4 -57.3 -43.5 -24.6 -22.6 -16.0 357 380 A I H < S+ 0 0 8 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.904 114.9 44.7 -63.9 -42.9 -21.2 -21.9 -17.4 358 381 A E H < S+ 0 0 90 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.842 114.2 50.5 -67.1 -34.5 -22.6 -21.9 -21.0 359 382 A Q H < 0 0 173 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.704 360.0 360.0 -83.0 -21.6 -25.6 -19.9 -20.0 360 383 A A < 0 0 96 -4,-1.5 -3,-0.2 -5,-0.2 -2,-0.1 0.338 360.0 360.0-151.6 360.0 -23.7 -17.1 -18.2