==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-JAN-00 1EBU . COMPND 2 MOLECULE: HOMOSERINE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR B.DELABARRE,P.R.THOMPSON,G.D.WRIGHT,A.M.BERGHUIS . 1432 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59193.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 993 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 97 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 150 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 115 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 175 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 405 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 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 8 1 7 6 5 3 10 3 3 3 3 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 3 1 4 0 4 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 5 6 3 4 0 0 0 4 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 3 1 0 0 0 0 2 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 S 0 0 89 0, 0.0 357,-0.1 0, 0.0 356,-0.0 0.000 360.0 360.0 360.0 160.1 18.6 -3.3 -21.0 2 3 A T - 0 0 45 356,-0.5 3,-0.1 1,-0.1 28,-0.0 0.300 360.0-160.7 -25.3 138.5 21.9 -4.8 -22.1 3 4 A K S S+ 0 0 158 1,-0.2 28,-2.3 27,-0.1 2,-0.4 0.311 79.3 57.4-105.8 1.4 24.4 -5.8 -19.5 4 5 A V E +a 31 0A 37 26,-0.2 2,-0.4 351,-0.1 28,-0.2 -0.985 58.5 174.8-139.8 126.6 27.2 -5.9 -22.0 5 6 A V E -a 32 0A 1 26,-2.3 28,-2.2 -2,-0.4 2,-0.5 -0.997 23.1-139.2-133.3 126.1 28.3 -3.0 -24.3 6 7 A N E -ab 33 86A 3 79,-2.0 81,-2.3 -2,-0.4 2,-0.5 -0.747 18.2-153.1 -89.1 128.4 31.4 -3.2 -26.6 7 8 A V E -ab 34 87A 0 26,-4.5 28,-2.0 -2,-0.5 29,-1.3 -0.865 9.0-167.0-107.0 131.7 33.5 -0.1 -26.7 8 9 A A E -ab 36 88A 0 79,-2.8 81,-2.6 -2,-0.5 2,-0.4 -0.972 12.9-163.1-116.4 124.8 35.6 1.0 -29.7 9 10 A V E -ab 37 89A 0 27,-3.2 29,-1.8 -2,-0.5 2,-0.5 -0.917 12.8-171.3-116.7 135.4 38.1 3.7 -29.0 10 11 A I E +ab 38 90A 15 79,-2.4 81,-3.1 -2,-0.4 29,-0.2 -0.986 63.1 26.6-120.5 120.6 40.0 6.0 -31.5 11 12 A G - 0 0 5 27,-3.2 -1,-0.2 -2,-0.5 28,-0.2 0.614 47.5-166.1 96.9 112.1 42.8 8.2 -30.1 12 13 A A + 0 0 11 4,-0.1 -1,-0.1 -3,-0.1 27,-0.1 -0.436 47.4 121.7-124.3 54.8 44.8 7.6 -26.9 13 14 A G S > S- 0 0 39 78,-0.3 4,-2.3 26,-0.1 5,-0.3 0.321 84.1 -43.6 -90.0-135.7 46.4 11.1 -26.5 14 15 A V H > S+ 0 0 110 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.965 143.6 25.8 -62.1 -55.8 46.0 13.3 -23.4 15 16 A V H > S+ 0 0 31 76,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.902 122.1 55.4 -76.3 -40.9 42.3 12.8 -22.9 16 17 A G H > S+ 0 0 0 75,-0.4 4,-3.5 2,-0.2 5,-0.2 0.918 106.4 49.6 -57.6 -48.0 42.2 9.4 -24.5 17 18 A S H X S+ 0 0 14 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.954 116.0 43.0 -56.4 -50.7 44.9 7.9 -22.3 18 19 A A H X S+ 0 0 17 -4,-1.3 4,-2.2 -5,-0.3 -1,-0.2 0.864 113.2 54.8 -64.4 -32.9 43.1 9.2 -19.2 19 20 A F H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.964 110.1 44.9 -62.6 -51.9 39.8 8.0 -20.8 20 21 A L H X S+ 0 0 0 -4,-3.5 4,-2.5 2,-0.2 -2,-0.2 0.903 111.7 51.2 -59.9 -45.9 41.1 4.5 -21.3 21 22 A D H X S+ 0 0 89 -4,-2.7 4,-1.0 -5,-0.2 -1,-0.2 0.961 114.7 44.5 -58.1 -47.9 42.6 4.3 -17.8 22 23 A Q H < S+ 0 0 19 -4,-2.2 3,-0.4 2,-0.2 4,-0.4 0.901 113.2 49.6 -61.8 -46.4 39.3 5.5 -16.2 23 24 A L H >< S+ 0 0 7 -4,-2.7 3,-1.4 1,-0.2 -1,-0.2 0.968 112.8 47.1 -57.2 -54.5 37.1 3.2 -18.3 24 25 A L H 3< S+ 0 0 49 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.630 116.3 43.2 -66.4 -14.4 39.1 0.1 -17.6 25 26 A A T 3< S+ 0 0 60 -4,-1.0 -1,-0.3 -3,-0.4 2,-0.3 0.288 86.3 127.9-111.1 8.0 39.3 0.8 -13.8 26 27 A M < - 0 0 23 -3,-1.4 2,-0.5 -4,-0.4 6,-0.1 -0.460 55.8-140.1 -70.6 127.6 35.6 1.8 -13.6 27 28 A K + 0 0 151 492,-0.4 2,-0.3 -2,-0.3 3,-0.1 -0.770 43.2 153.4 -84.4 127.6 33.5 -0.0 -10.9 28 29 A S - 0 0 52 -2,-0.5 4,-0.1 1,-0.2 491,-0.0 -0.998 56.6-136.0-158.3 154.1 30.2 -0.7 -12.6 29 30 A T S S+ 0 0 112 -2,-0.3 -1,-0.2 2,-0.1 -26,-0.0 0.979 94.9 65.7 -70.4 -56.4 27.1 -3.0 -12.7 30 31 A I S S- 0 0 27 -3,-0.1 2,-0.6 1,-0.1 -26,-0.2 -0.193 89.8-119.5 -62.1 152.1 27.2 -3.1 -16.5 31 32 A T E -a 4 0A 67 -28,-2.3 -26,-2.3 2,-0.0 2,-0.7 -0.883 23.4-165.2-101.6 119.1 30.2 -4.7 -18.4 32 33 A Y E -a 5 0A 29 -2,-0.6 2,-0.5 -28,-0.2 -26,-0.2 -0.903 8.3-165.3-104.9 107.3 32.1 -2.3 -20.6 33 34 A N E -a 6 0A 22 -28,-2.2 -26,-4.5 -2,-0.7 2,-0.9 -0.834 15.0-145.1 -99.6 128.8 34.4 -4.3 -23.0 34 35 A L E +a 7 0A 6 -2,-0.5 18,-1.6 -28,-0.2 -26,-0.2 -0.816 30.6 163.7 -89.5 105.4 37.1 -2.6 -24.9 35 36 A V E + 0 0 1 -28,-2.0 11,-2.4 -2,-0.9 2,-0.4 0.693 60.6 27.3 -97.1 -22.1 37.1 -4.5 -28.2 36 37 A L E +aC 8 45A 4 -29,-1.3 -27,-3.2 9,-0.2 2,-0.4 -0.982 56.4 177.4-148.7 131.6 39.1 -2.1 -30.4 37 38 A L E +aC 9 44A 0 7,-3.2 7,-3.7 -2,-0.4 2,-0.4 -0.998 7.2 177.1-134.7 130.7 41.8 0.6 -29.8 38 39 A A E +aC 10 43A 7 -29,-1.8 -27,-3.2 -2,-0.4 5,-0.2 -0.998 10.1 161.6-138.0 137.0 43.5 2.6 -32.4 39 40 A E - 0 0 84 3,-2.3 -26,-0.1 -2,-0.4 -1,-0.0 0.141 68.5 -33.6-116.2-124.1 46.1 5.4 -32.2 40 41 A A S S- 0 0 54 1,-0.1 -29,-0.0 -2,-0.1 29,-0.0 0.837 122.7 -26.9 -67.5-106.2 48.3 6.4 -35.1 41 42 A E S S+ 0 0 124 -3,-0.1 28,-0.7 27,-0.1 2,-0.2 0.572 123.1 86.8 -87.7 -10.2 49.1 3.5 -37.4 42 43 A R B +F 68 0B 108 26,-0.2 -3,-2.3 27,-0.0 2,-0.3 -0.605 52.4 169.7 -93.4 153.9 48.8 1.0 -34.5 43 44 A S E -C 38 0A 3 24,-1.2 2,-0.5 -5,-0.2 24,-0.4 -0.991 26.0-146.2-158.7 151.2 45.7 -0.7 -33.3 44 45 A L E +C 37 0A 23 -7,-3.7 -7,-3.2 -2,-0.3 2,-0.4 -0.988 26.8 169.6-120.4 125.8 44.4 -3.4 -31.0 45 46 A I E -C 36 0A 40 -2,-0.5 2,-0.6 -9,-0.2 -9,-0.2 -0.982 24.4-153.1-142.4 130.0 41.4 -5.4 -32.1 46 47 A S > - 0 0 16 -11,-2.4 3,-0.8 -2,-0.4 6,-0.1 -0.907 5.6-159.0-101.7 118.8 39.8 -8.6 -30.7 47 48 A K T 3 S+ 0 0 185 -2,-0.6 -1,-0.1 1,-0.3 -12,-0.0 0.710 92.5 62.3 -68.8 -21.5 37.9 -10.4 -33.4 48 49 A D T 3 S- 0 0 131 2,-0.1 -1,-0.3 3,-0.1 -13,-0.0 0.791 102.6-133.5 -70.5 -28.9 35.9 -12.2 -30.8 49 50 A F < + 0 0 12 -3,-0.8 -2,-0.1 1,-0.4 3,-0.1 0.734 68.6 129.6 74.2 22.9 34.6 -8.8 -29.7 50 51 A S S S- 0 0 39 1,-0.2 -1,-0.4 -15,-0.1 -4,-0.1 -0.597 76.3 -59.0 -97.9 165.8 35.5 -10.2 -26.3 51 52 A P - 0 0 63 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.134 61.0-106.3 -47.6 139.9 37.6 -8.1 -24.0 52 53 A L > - 0 0 20 -18,-1.6 2,-2.7 1,-0.1 3,-0.7 -0.569 35.4-117.4 -67.3 130.3 41.0 -7.2 -25.5 53 54 A N T 3 S+ 0 0 162 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 -0.360 89.9 95.8 -74.4 68.5 43.4 -9.4 -23.6 54 55 A V T > - 0 0 28 -2,-2.7 3,-1.7 1,-0.3 -1,-0.2 0.441 65.6-154.2-131.1 -9.6 45.4 -6.6 -22.1 55 56 A G T < S- 0 0 57 -3,-0.7 -1,-0.3 1,-0.3 -3,-0.1 -0.500 75.3 -32.4 65.2-132.5 43.9 -6.1 -18.6 56 57 A S T 3 S+ 0 0 76 -2,-0.2 2,-2.0 1,-0.1 3,-0.4 0.567 123.3 96.6 -92.4 -11.5 44.5 -2.5 -17.7 57 58 A D <> + 0 0 119 -3,-1.7 4,-0.8 1,-0.2 -1,-0.1 -0.451 39.1 132.5 -80.2 69.2 47.8 -2.6 -19.6 58 59 A W H > + 0 0 2 -2,-2.0 4,-3.0 2,-0.1 -1,-0.2 0.825 62.6 57.6 -89.3 -32.9 46.6 -1.1 -22.9 59 60 A K H > S+ 0 0 116 -3,-0.4 4,-2.7 2,-0.2 5,-0.1 0.904 109.4 44.4 -65.8 -42.6 49.3 1.4 -23.6 60 61 A A H > S+ 0 0 71 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.970 116.3 46.7 -65.5 -52.5 52.1 -1.1 -23.6 61 62 A A H >X S+ 0 0 31 -4,-0.8 4,-1.5 1,-0.2 3,-0.7 0.944 114.5 48.2 -53.5 -51.5 50.2 -3.6 -25.7 62 63 A L H >< S+ 0 0 10 -4,-3.0 3,-0.7 1,-0.3 -1,-0.2 0.936 107.4 54.2 -56.9 -48.6 49.2 -0.8 -28.1 63 64 A A H 3< S+ 0 0 66 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.801 114.9 43.0 -57.1 -26.8 52.7 0.4 -28.4 64 65 A A H << S+ 0 0 74 -4,-1.6 -1,-0.3 -3,-0.7 -2,-0.2 0.657 85.5 121.1 -94.4 -17.6 53.7 -3.1 -29.3 65 66 A S << - 0 0 16 -4,-1.5 -21,-0.1 -3,-0.7 -3,-0.0 -0.150 41.3-169.4 -52.5 137.2 50.9 -3.9 -31.7 66 67 A T + 0 0 137 -24,-0.1 2,-0.4 2,-0.1 -1,-0.2 0.320 54.4 114.4-105.5 1.2 51.8 -4.9 -35.3 67 68 A T - 0 0 69 -24,-0.4 -24,-1.2 1,-0.1 -2,-0.0 -0.619 66.4-125.6 -80.4 129.9 48.2 -4.7 -36.3 68 69 A K B -F 42 0B 174 -2,-0.4 2,-0.5 -26,-0.2 -26,-0.2 -0.247 24.7-101.7 -71.2 158.4 47.4 -1.9 -38.8 69 70 A T - 0 0 57 -28,-0.7 -1,-0.1 1,-0.1 -26,-0.1 -0.718 40.8-117.8 -86.1 126.0 44.7 0.8 -38.3 70 71 A L - 0 0 56 -2,-0.5 2,-0.1 1,-0.1 -1,-0.1 -0.293 23.2-108.2 -65.8 139.6 41.5 0.1 -40.2 71 72 A P >> - 0 0 77 0, 0.0 4,-1.8 0, 0.0 3,-1.2 -0.456 38.7-114.8 -62.8 137.2 40.1 2.5 -42.9 72 73 A L H 3> S+ 0 0 15 1,-0.3 4,-2.7 2,-0.2 3,-0.3 0.872 115.5 57.0 -44.8 -47.6 37.1 4.1 -41.3 73 74 A D H 3> S+ 0 0 87 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.878 108.7 46.2 -52.8 -41.6 34.7 2.5 -43.8 74 75 A D H <> S+ 0 0 87 -3,-1.2 4,-3.3 2,-0.2 -1,-0.3 0.804 110.3 53.7 -72.2 -29.0 36.0 -1.0 -42.7 75 76 A L H X S+ 0 0 7 -4,-1.8 4,-2.8 -3,-0.3 -2,-0.2 0.888 108.7 49.1 -70.6 -39.5 35.7 -0.0 -39.0 76 77 A I H X S+ 0 0 6 -4,-2.7 4,-1.1 -5,-0.2 -2,-0.2 0.976 115.3 44.4 -60.9 -53.9 32.1 0.9 -39.6 77 78 A A H >< S+ 0 0 51 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.930 113.8 49.9 -54.7 -52.1 31.5 -2.4 -41.3 78 79 A H H >< S+ 0 0 38 -4,-3.3 3,-2.0 1,-0.3 -1,-0.2 0.910 108.3 51.6 -57.3 -44.8 33.5 -4.3 -38.7 79 80 A L H >< S+ 0 0 4 -4,-2.8 3,-1.3 1,-0.3 -1,-0.3 0.719 95.7 71.5 -66.6 -18.3 31.6 -2.8 -35.8 80 81 A K T << S+ 0 0 115 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.556 93.2 58.1 -73.4 -4.9 28.4 -3.7 -37.5 81 82 A T T < S+ 0 0 92 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.1 -0.033 75.0 130.4-112.3 29.4 29.3 -7.3 -36.6 82 83 A S < - 0 0 22 -3,-1.3 4,-0.1 1,-0.1 -33,-0.1 -0.746 56.1-144.0 -87.5 125.3 29.4 -6.8 -32.9 83 84 A P S S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -34,-0.1 0.676 88.0 42.2 -58.3 -19.0 27.4 -9.3 -30.8 84 85 A K S S- 0 0 95 -35,-0.1 -79,-0.1 1,-0.1 -2,-0.1 -0.893 107.3 -76.6-128.4 158.5 26.6 -6.5 -28.4 85 86 A P - 0 0 41 0, 0.0 -79,-2.0 0, 0.0 2,-0.4 -0.242 53.7-135.8 -53.9 139.6 25.6 -2.8 -28.8 86 87 A V E -b 6 0A 7 22,-0.5 24,-2.3 -81,-0.2 2,-0.5 -0.826 18.3-166.3-109.5 141.3 28.6 -0.7 -29.8 87 88 A I E -bd 7 110A 0 -81,-2.3 -79,-2.8 -2,-0.4 2,-0.4 -0.987 10.7-155.6-123.1 121.1 29.8 2.7 -28.5 88 89 A L E -bd 8 111A 0 22,-4.3 24,-2.2 -2,-0.5 2,-0.6 -0.816 4.4-164.3 -96.8 134.8 32.5 4.5 -30.4 89 90 A V E -bd 9 112A 0 -81,-2.6 -79,-2.4 -2,-0.4 2,-0.8 -0.957 1.6-164.8-121.9 108.2 34.6 7.0 -28.5 90 91 A D E +b 10 0A 0 22,-1.0 25,-0.7 -2,-0.6 -79,-0.2 -0.837 12.3 175.1 -96.5 103.4 36.5 9.3 -30.7 91 92 A N + 0 0 14 -81,-3.1 -75,-0.4 -2,-0.8 -78,-0.3 0.027 52.7 92.0 -96.6 27.4 39.2 11.1 -28.7 92 93 A T S S- 0 0 39 -82,-0.2 -2,-0.1 2,-0.1 -82,-0.0 -0.273 72.9-136.2-101.9-168.2 40.7 12.9 -31.6 93 94 A S + 0 0 82 22,-0.1 2,-0.2 -2,-0.1 -2,-0.0 -0.007 54.3 144.9-136.8 20.2 40.0 16.3 -33.1 94 95 A S > - 0 0 37 1,-0.2 4,-1.8 22,-0.0 -2,-0.1 -0.440 43.7-159.6 -69.8 128.5 40.0 15.0 -36.6 95 96 A A H > S+ 0 0 63 -2,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.777 95.3 62.0 -75.0 -25.7 37.6 16.6 -39.0 96 97 A Y H 4 S+ 0 0 152 2,-0.2 4,-0.4 1,-0.2 3,-0.3 0.988 105.3 42.6 -61.8 -59.4 38.1 13.4 -41.1 97 98 A I H >4 S+ 0 0 17 1,-0.2 3,-2.8 2,-0.2 4,-0.4 0.935 111.4 57.0 -50.7 -50.5 36.7 11.1 -38.4 98 99 A A H >< S+ 0 0 6 -4,-1.8 3,-2.4 1,-0.3 4,-0.5 0.901 95.0 65.4 -49.8 -45.0 33.9 13.6 -37.7 99 100 A G T 3< S+ 0 0 56 -4,-2.3 -1,-0.3 1,-0.3 4,-0.2 0.617 102.5 50.1 -55.1 -12.1 32.9 13.4 -41.4 100 101 A F T <> S+ 0 0 26 -3,-2.8 4,-2.3 -4,-0.4 -1,-0.3 0.490 78.6 94.6-105.4 -5.7 31.9 9.8 -40.7 101 102 A Y H <> S+ 0 0 1 -3,-2.4 4,-3.4 -4,-0.4 5,-0.3 0.922 82.6 58.2 -51.0 -48.8 29.8 10.2 -37.6 102 103 A T H > S+ 0 0 47 -4,-0.5 4,-3.9 1,-0.2 -1,-0.2 0.931 108.9 44.1 -44.1 -57.5 26.7 10.3 -39.8 103 104 A K H > S+ 0 0 85 -4,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.892 114.1 49.5 -58.0 -45.0 27.5 6.9 -41.2 104 105 A F H ><>S+ 0 0 0 -4,-2.3 5,-1.8 2,-0.2 3,-1.5 0.976 116.6 41.6 -56.8 -58.4 28.4 5.4 -37.7 105 106 A V H ><5S+ 0 0 2 -4,-3.4 3,-1.7 1,-0.3 32,-1.7 0.955 109.3 59.1 -53.3 -53.4 25.2 6.8 -36.2 106 107 A E H 3<5S+ 0 0 99 -4,-3.9 -1,-0.3 -5,-0.3 -2,-0.2 0.662 106.6 51.5 -52.0 -18.4 23.2 5.7 -39.3 107 108 A N T <<5S- 0 0 58 -3,-1.5 -1,-0.3 -4,-0.7 -2,-0.2 -0.191 123.2 -99.0-115.1 41.9 24.4 2.2 -38.6 108 109 A G T < 5S+ 0 0 33 -3,-1.7 2,-0.6 1,-0.2 -22,-0.5 0.768 80.1 134.2 51.2 32.3 23.4 1.9 -35.0 109 110 A I < - 0 0 2 -5,-1.8 28,-0.3 -4,-0.2 -2,-0.2 -0.972 47.7-140.3-112.6 120.4 26.8 2.7 -33.6 110 111 A S E -d 87 0A 2 -24,-2.3 -22,-4.3 -2,-0.6 2,-0.4 -0.440 10.6-143.4 -82.4 154.8 26.7 5.2 -30.8 111 112 A I E +de 88 139A 0 27,-3.0 29,-2.8 -24,-0.2 2,-0.4 -0.960 21.1 174.3-128.3 134.1 29.2 8.0 -30.2 112 113 A A E +de 89 140A 0 -24,-2.2 -22,-1.0 -2,-0.4 29,-0.2 -0.999 30.5 158.4-127.5 125.6 30.7 9.7 -27.1 113 114 A T - 0 0 0 27,-2.0 31,-0.3 -2,-0.4 -22,-0.2 -0.992 53.4-156.2-160.9 152.8 33.3 12.2 -27.9 114 115 A P + 0 0 19 0, 0.0 2,-0.4 0, 0.0 -23,-0.1 0.359 68.9 116.4 -97.4 -3.4 35.4 15.3 -26.9 115 116 A N - 0 0 1 -25,-0.7 4,-0.2 1,-0.1 -22,-0.1 -0.576 45.0-172.5 -74.1 127.0 35.9 16.0 -30.7 116 117 A K >> + 0 0 42 -2,-0.4 4,-2.2 1,-0.1 3,-1.4 0.688 62.4 90.8 -92.2 -24.7 34.3 19.4 -31.6 117 118 A K T 34 S+ 0 0 60 1,-0.3 3,-0.2 2,-0.2 5,-0.1 0.845 86.8 48.2 -39.1 -53.7 34.7 19.1 -35.4 118 119 A A T 34 S+ 0 0 2 1,-0.2 -1,-0.3 2,-0.2 3,-0.2 0.755 120.5 35.8 -65.7 -26.0 31.4 17.4 -36.1 119 120 A F T <4 S+ 0 0 0 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.2 0.582 119.2 48.3-103.2 -13.5 29.3 19.9 -33.9 120 121 A S S < S+ 0 0 0 -4,-2.2 -2,-0.2 -3,-0.2 -1,-0.1 -0.013 107.3 58.4-115.2 28.2 31.3 23.1 -34.7 121 122 A S S S+ 0 0 54 1,-0.5 -3,-0.1 -3,-0.2 -4,-0.0 0.185 98.2 8.5-120.6-122.0 31.4 22.8 -38.5 122 123 A D - 0 0 70 -5,-0.1 -1,-0.5 1,-0.1 4,-0.3 -0.147 60.3-136.0 -59.8 161.2 28.7 22.5 -41.1 123 124 A L S > S+ 0 0 15 2,-0.2 4,-1.7 3,-0.1 -1,-0.1 0.694 103.2 51.2 -94.6 -23.4 25.1 23.0 -40.0 124 125 A A H > S+ 0 0 61 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.893 103.3 59.0 -79.9 -37.9 23.6 20.2 -42.0 125 126 A T H > S+ 0 0 34 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.843 109.5 48.3 -52.0 -33.6 26.2 17.8 -40.4 126 127 A W H > S+ 0 0 18 -4,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.879 111.7 44.4 -75.2 -46.0 24.7 19.0 -37.2 127 128 A K H < S+ 0 0 101 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.783 109.1 62.1 -71.7 -23.3 21.1 18.5 -38.2 128 129 A A H >< S+ 0 0 34 -4,-3.0 3,-0.7 1,-0.2 -2,-0.2 0.975 104.7 44.4 -62.3 -56.1 22.2 15.1 -39.6 129 130 A L H 3< S+ 0 0 6 -4,-1.6 2,-1.5 1,-0.3 -2,-0.2 0.939 112.7 53.0 -52.7 -54.9 23.3 13.8 -36.3 130 131 A F T 3< S+ 0 0 66 -4,-1.7 -1,-0.3 -5,-0.1 2,-0.3 -0.418 79.4 116.3 -89.4 61.1 20.3 15.0 -34.5 131 132 A S S < S- 0 0 43 -2,-1.5 2,-0.4 -3,-0.7 -3,-0.0 -0.708 72.2-117.5-112.3 163.6 17.5 13.5 -36.7 132 133 A N + 0 0 112 -2,-0.3 -2,-0.1 2,-0.0 -3,-0.1 -0.357 46.3 161.8-105.2 58.1 15.2 11.0 -35.2 133 134 A K - 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0 0 3 -5,-2.6 2,-0.4 -6,-0.2 -1,-0.3 -0.370 43.1-142.6 -74.9 162.8 12.4 25.8 -20.8 164 165 A E - 0 0 120 -2,-0.1 161,-2.2 67,-0.0 2,-0.2 -0.993 9.6-128.8-131.8 126.9 13.7 28.2 -23.5 165 166 A V E +G 324 0C 8 -2,-0.4 159,-0.2 65,-0.3 3,-0.1 -0.471 28.9 170.7 -72.1 142.2 17.2 29.6 -23.6 166 167 A E E + 0 0 89 157,-3.0 126,-2.3 1,-0.4 127,-0.5 0.724 62.1 4.6-117.2 -50.5 17.4 33.4 -23.9 167 168 A K E -GH 323 291C 49 156,-1.6 156,-3.0 124,-0.2 2,-0.4 -1.000 54.5-168.0-144.5 140.7 21.0 34.4 -23.4 168 169 A I E +GH 322 290C 1 122,-2.2 122,-2.5 -2,-0.3 2,-0.4 -0.994 6.4 177.8-132.6 128.0 24.3 32.6 -22.8 169 170 A E E +GH 321 289C 24 152,-1.7 152,-3.1 -2,-0.4 2,-0.3 -0.959 17.5 160.1-124.1 142.2 27.6 34.2 -21.7 170 171 A G E -GH 320 288C 0 118,-1.2 118,-2.5 -2,-0.4 2,-0.7 -0.974 44.2-138.0-168.7 153.0 30.7 32.2 -21.1 171 172 A I E +G 319 0C 4 148,-2.3 148,-1.7 -2,-0.3 116,-0.1 -0.936 30.7 171.6-111.6 102.4 34.5 31.9 -20.7 172 173 A F + 0 0 3 -2,-0.7 2,-0.4 146,-0.2 146,-0.1 0.044 48.3 77.6-103.7 21.0 35.3 28.8 -22.6 173 174 A S > - 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0 0 39 -2,-0.6 3,-0.3 -3,-0.1 99,-0.1 -0.702 66.4 -96.6-138.5-170.4 41.2 42.6 -11.7 186 187 A S S S+ 0 0 67 -2,-0.2 120,-0.0 1,-0.2 95,-0.0 0.609 115.1 73.5 -88.2 -13.4 39.7 45.1 -9.4 187 188 A Q S S- 0 0 157 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.678 90.0-148.8 -72.0 -20.5 43.2 45.8 -8.1 188 189 A A + 0 0 50 -3,-0.3 -4,-0.1 86,-0.0 -2,-0.1 0.947 28.0 172.0 45.2 83.2 44.1 47.7 -11.2 189 190 A N - 0 0 59 -6,-0.3 -4,-0.0 2,-0.1 -6,-0.0 -0.027 45.0-110.5 -98.0-156.2 47.8 46.9 -11.5 190 191 A D + 0 0 130 -2,-0.1 81,-0.1 2,-0.1 -7,-0.0 0.308 60.4 148.8-121.3 2.2 50.2 47.7 -14.3 191 192 A V - 0 0 39 -9,-0.1 2,-0.3 1,-0.1 -2,-0.1 -0.050 43.3-131.7 -39.8 132.5 50.6 44.1 -15.4 192 193 A K > - 0 0 98 1,-0.1 4,-1.8 78,-0.0 5,-0.2 -0.710 8.5-126.9 -95.4 144.8 51.2 43.9 -19.1 193 194 A F H > S+ 0 0 4 -2,-0.3 4,-2.4 1,-0.2 5,-0.3 0.959 110.5 55.3 -51.7 -56.5 49.3 41.6 -21.4 194 195 A S H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.864 104.9 54.5 -43.7 -47.0 52.6 40.3 -22.8 195 196 A D H > S+ 0 0 74 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.976 109.7 43.1 -56.6 -60.0 53.8 39.4 -19.3 196 197 A V H X S+ 0 0 9 -4,-1.8 4,-3.1 1,-0.2 5,-0.2 0.918 114.2 50.5 -54.2 -47.8 50.9 37.2 -18.3 197 198 A V H X S+ 0 0 2 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.897 111.0 50.9 -57.8 -39.1 50.7 35.4 -21.6 198 199 A K H X S+ 0 0 71 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.2 0.928 113.2 44.0 -63.1 -45.4 54.4 34.8 -21.3 199 200 A V H X S+ 0 0 61 -4,-2.6 4,-3.6 2,-0.2 -2,-0.2 0.845 109.1 57.1 -67.6 -35.7 54.0 33.4 -17.8 200 201 A A H <>S+ 0 0 0 -4,-3.1 5,-4.2 -5,-0.3 6,-0.6 0.902 112.5 42.1 -61.1 -39.6 50.9 31.4 -18.9 201 202 A K H ><5S+ 0 0 86 -4,-1.9 3,-1.5 -5,-0.2 -2,-0.2 0.906 113.7 53.1 -71.5 -42.7 53.2 29.8 -21.5 202 203 A K H 3<5S+ 0 0 179 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.919 111.6 44.2 -58.4 -47.7 56.0 29.5 -18.9 203 204 A L T 3<5S- 0 0 95 -4,-3.6 -1,-0.3 -5,-0.1 -2,-0.2 0.259 120.9-108.8 -84.4 13.5 53.7 27.7 -16.4 204 205 A G T < 5S+ 0 0 58 -3,-1.5 -3,-0.2 -5,-0.1 -2,-0.1 0.778 78.5 131.7 66.6 32.1 52.4 25.5 -19.2 205 206 A Y < + 0 0 90 -5,-4.2 -4,-0.2 -6,-0.2 2,-0.2 0.445 63.6 49.1 -92.1 -1.5 48.9 27.0 -19.4 206 207 A T S S- 0 0 25 -6,-0.6 -9,-0.0 -5,-0.2 3,-0.0 -0.700 93.3 -85.3-128.5 179.5 49.0 27.5 -23.2 207 208 A E - 0 0 104 -2,-0.2 -1,-0.1 2,-0.1 6,-0.1 -0.335 55.8 -95.8 -75.7 169.0 49.7 25.5 -26.4 208 209 A P S S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.954 124.4 37.6 -52.1 -52.4 53.4 25.5 -27.5 209 210 A D S > S- 0 0 24 1,-0.1 3,-2.4 50,-0.0 4,-0.2 -0.863 84.8-150.3-103.9 98.9 52.7 28.5 -29.8 210 211 A P T >> S+ 0 0 4 0, 0.0 4,-2.3 0, 0.0 3,-1.6 0.521 84.1 85.0 -44.4 -13.9 50.2 30.7 -27.9 211 212 A R H 3> S+ 0 0 43 1,-0.3 4,-1.4 2,-0.2 34,-0.1 0.844 80.6 65.0 -61.8 -29.5 48.7 31.9 -31.2 212 213 A D H <4 S+ 0 0 83 -3,-2.4 6,-0.4 1,-0.2 -1,-0.3 0.693 110.7 35.8 -65.1 -19.0 46.6 28.8 -31.1 213 214 A D H X4 S+ 0 0 22 -3,-1.6 3,-1.6 -4,-0.2 -2,-0.2 0.842 114.6 51.6 -97.9 -50.0 44.9 30.2 -27.9 214 215 A L H 3< S+ 0 0 2 -4,-2.3 31,-2.9 1,-0.3 32,-0.3 0.637 93.3 76.3 -65.1 -14.8 44.8 33.9 -28.6 215 216 A N T 3< S- 0 0 31 -4,-1.4 -1,-0.3 -5,-0.2 -3,-0.1 0.694 90.5-142.2 -71.5 -17.1 43.1 33.3 -32.0 216 217 A G <> + 0 0 1 -3,-1.6 4,-1.5 -5,-0.1 -2,-0.1 0.670 63.5 123.5 65.9 18.5 39.8 32.6 -30.3 217 218 A L H > + 0 0 87 -5,-0.2 4,-2.1 2,-0.2 5,-0.2 0.884 69.4 52.8 -77.0 -39.4 38.9 29.9 -32.7 218 219 A D H > S+ 0 0 61 -6,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.823 110.0 50.4 -65.6 -30.8 38.4 27.2 -30.1 219 220 A V H > S+ 0 0 3 2,-0.2 4,-2.7 -6,-0.2 5,-0.2 0.899 107.5 51.7 -74.1 -42.1 36.0 29.5 -28.3 220 221 A A H X S+ 0 0 0 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.906 108.7 52.2 -62.2 -38.0 34.0 30.3 -31.4 221 222 A R H X S+ 0 0 61 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.938 111.9 46.3 -63.2 -42.1 33.7 26.5 -32.0 222 223 A K H X S+ 0 0 20 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.886 113.5 48.1 -66.1 -39.1 32.4 26.0 -28.5 223 224 A V H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.837 106.1 58.3 -69.3 -35.0 30.0 28.9 -28.7 224 225 A T H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 10,-0.3 0.924 105.6 51.7 -59.4 -43.2 28.7 27.7 -32.0 225 226 A I H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.911 113.9 39.4 -61.3 -49.2 27.8 24.4 -30.3 226 227 A V H X S+ 0 0 1 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.755 112.6 58.8 -75.9 -22.5 25.8 26.0 -27.4 227 228 A G H X>S+ 0 0 0 -4,-2.1 5,-2.2 2,-0.2 4,-0.9 0.985 109.9 42.2 -65.6 -54.8 24.3 28.5 -29.8 228 229 A R H <5S+ 0 0 14 -4,-2.7 3,-0.4 1,-0.2 -2,-0.2 0.834 112.9 52.4 -60.2 -37.1 22.9 25.7 -32.0 229 230 A I H <5S+ 0 0 17 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.920 108.0 54.0 -65.6 -39.0 21.7 23.7 -28.9 230 231 A S H <5S- 0 0 14 -4,-2.0 -65,-0.3 -5,-0.1 -1,-0.2 0.674 129.5 -94.3 -67.8 -20.6 20.0 26.9 -27.7 231 232 A G T <5S+ 0 0 55 -4,-0.9 2,-0.7 -3,-0.4 -3,-0.2 0.574 82.4 129.3 116.7 11.8 18.1 27.3 -31.0 232 233 A V < - 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0 0 56 -2,-0.4 4,-0.2 2,-0.2 121,-0.1 -0.882 68.2 -85.2-158.6-176.2 33.1 30.2 41.0 1263 187 D S S S+ 0 0 70 -2,-0.2 2,-0.8 125,-0.2 120,-0.1 0.536 105.3 85.4 -80.9 -5.1 33.1 30.3 37.2 1264 188 D Q S S- 0 0 140 1,-0.0 -2,-0.2 0, 0.0 2,-0.1 -0.863 91.1-121.9-101.6 108.0 29.3 29.8 37.4 1265 189 D A - 0 0 111 -2,-0.8 2,-0.3 -4,-0.1 -2,-0.1 -0.260 47.8-178.5 -47.5 108.1 27.5 33.1 37.9 1266 190 D N - 0 0 69 -6,-0.2 -4,-0.1 -4,-0.2 -1,-0.0 -0.762 38.9-143.9-116.1 161.1 25.7 32.1 41.1 1267 191 D D + 0 0 141 -2,-0.3 -2,-0.1 2,-0.1 -1,-0.0 0.195 55.1 134.0-106.2 12.3 23.2 33.8 43.4 1268 192 D V - 0 0 42 -8,-0.2 2,-0.4 -9,-0.1 -2,-0.1 -0.367 49.3-139.2 -63.1 142.4 24.7 32.3 46.6 1269 193 D K >> - 0 0 85 1,-0.1 4,-1.5 -2,-0.0 3,-0.9 -0.859 14.9-121.3-107.5 141.7 25.1 34.9 49.3 1270 194 D F H 3> S+ 0 0 7 -2,-0.4 4,-1.6 74,-0.3 5,-0.2 0.905 111.3 52.5 -42.4 -56.9 28.2 35.0 51.5 1271 195 D S H 3> S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.814 103.4 58.3 -54.6 -34.9 26.2 34.6 54.7 1272 196 D D H <> S+ 0 0 76 -3,-0.9 4,-2.1 1,-0.2 3,-0.3 0.981 108.4 43.2 -63.5 -51.6 24.4 31.5 53.4 1273 197 D V H X S+ 0 0 12 -4,-1.5 4,-1.7 1,-0.3 -1,-0.2 0.758 112.0 54.5 -66.2 -22.3 27.6 29.5 52.8 1274 198 D V H X S+ 0 0 0 -4,-1.6 4,-1.3 -5,-0.3 -1,-0.3 0.852 107.4 52.8 -76.7 -31.4 28.9 30.7 56.2 1275 199 D K H X S+ 0 0 69 -4,-2.0 4,-2.2 -3,-0.3 -2,-0.2 0.924 110.6 44.5 -67.6 -43.5 25.7 29.4 57.7 1276 200 D V H X S+ 0 0 57 -4,-2.1 4,-3.4 1,-0.2 6,-0.3 0.872 108.6 57.6 -67.6 -37.1 26.1 25.9 56.1 1277 201 D A H <>S+ 0 0 0 -4,-1.7 5,-1.0 1,-0.2 6,-0.4 0.833 109.6 46.9 -60.8 -31.4 29.8 26.0 57.1 1278 202 D K H ><5S+ 0 0 76 -4,-1.3 3,-1.0 4,-0.2 -2,-0.2 0.905 112.8 47.5 -76.0 -42.8 28.5 26.4 60.7 1279 203 D K H 3<5S+ 0 0 174 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.922 113.0 48.9 -64.2 -43.1 25.9 23.6 60.3 1280 204 D L T 3<5S- 0 0 83 -4,-3.4 -1,-0.2 -5,-0.1 -2,-0.2 0.405 113.4-116.1 -78.3 2.1 28.4 21.2 58.8 1281 205 D G T < 5S+ 0 0 57 -3,-1.0 -3,-0.2 -5,-0.2 -4,-0.1 0.510 78.2 129.1 76.4 2.7 31.0 21.9 61.5 1282 206 D Y < + 0 0 102 -5,-1.0 2,-0.3 -6,-0.3 -4,-0.2 0.245 62.8 65.1 -74.1 16.2 33.4 23.4 59.0 1283 207 D T S S- 0 0 21 -6,-0.4 -9,-0.0 -5,-0.2 -2,-0.0 -0.978 88.3-101.4-142.6 152.9 33.8 26.4 61.3 1284 208 D E - 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