==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 10-DEC-03 1RTW . COMPND 2 MOLECULE: TRANSCRIPTIONAL ACTIVATOR, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR J.BENACH,W.C.EDSTROM,I.LEE,X.RONG,T.B.ACTON,G.T.MONTELIONE,J . 829 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33810.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 699 84.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 4 0.5 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 558 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.4 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 2 2 0 4 8 0 0 0 0 0 0 0 4 0 1 3 1 2 1 0 4 4 0 0 4 0 0 RESIDUES PER ALPHA HELIX . 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 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 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 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 X > 0 0 133 0, 0.0 4,-1.8 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 114.0 4.8 31.9 50.6 2 2 A F H > + 0 0 8 1,-0.2 4,-2.5 171,-0.2 5,-0.2 0.848 360.0 55.1 -53.9 -47.7 8.5 31.0 51.3 3 3 A S H > S+ 0 0 0 166,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.924 108.0 48.1 -55.6 -49.9 9.3 34.1 53.4 4 4 A E H > S+ 0 0 113 1,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.904 111.9 51.5 -58.6 -41.9 6.6 33.5 55.9 5 5 A E H X S+ 0 0 83 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.913 108.5 50.3 -62.2 -44.5 7.6 29.8 56.1 6 6 A L H >X S+ 0 0 0 -4,-2.5 4,-0.8 1,-0.2 3,-0.5 0.937 112.2 47.2 -59.2 -48.1 11.3 30.7 56.8 7 7 A I H 3< S+ 0 0 42 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.844 110.3 53.6 -64.2 -33.8 10.3 33.1 59.6 8 8 A K H 3< S+ 0 0 163 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.716 107.3 48.6 -76.3 -22.9 7.9 30.6 61.2 9 9 A E H << S+ 0 0 87 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.573 120.5 36.7 -92.6 -11.7 10.4 27.8 61.5 10 10 A N S >X S+ 0 0 0 -4,-0.8 4,-2.4 -3,-0.3 3,-1.1 0.196 81.7 115.3-122.6 12.6 13.1 30.0 63.1 11 11 A E H 3> S+ 0 0 87 1,-0.3 4,-2.0 2,-0.2 -2,-0.1 0.859 73.6 55.4 -52.5 -39.9 10.7 32.0 65.1 12 12 A N H 34 S+ 0 0 101 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.810 109.4 46.0 -69.6 -24.9 12.2 30.8 68.3 13 13 A I H X4 S+ 0 0 21 -3,-1.1 3,-1.3 2,-0.2 4,-0.3 0.930 110.9 53.5 -78.3 -45.3 15.7 31.9 67.3 14 14 A W H >< S+ 0 0 11 -4,-2.4 3,-1.9 1,-0.3 4,-0.2 0.855 98.6 62.6 -57.4 -37.0 14.5 35.3 66.2 15 15 A R G >< S+ 0 0 148 -4,-2.0 3,-1.0 1,-0.3 -1,-0.3 0.780 92.3 66.3 -63.8 -22.5 12.7 36.0 69.5 16 16 A R G < S+ 0 0 164 -3,-1.3 -1,-0.3 -4,-0.4 5,-0.2 0.660 109.9 35.8 -72.9 -16.9 16.1 35.9 71.2 17 17 A F G X S+ 0 0 0 -3,-1.9 3,-0.9 -4,-0.3 -1,-0.3 0.183 93.4 97.7-117.3 17.2 17.2 39.0 69.3 18 18 A L T < S- 0 0 45 -3,-1.0 -1,-0.1 1,-0.8 2,-0.1 -0.587 118.9 -1.5-134.1 69.9 13.7 40.7 69.4 19 19 A P T 3 S- 0 0 44 0, 0.0 -1,-0.8 0, 0.0 2,-0.2 0.534 94.1-178.5-101.3 160.8 14.9 42.0 71.7 20 20 A H <> - 0 0 18 -3,-0.9 4,-1.9 115,-0.1 3,-0.4 -0.604 48.7 -97.7 -99.1 166.7 18.5 41.0 72.5 21 21 A K H > S+ 0 0 112 1,-0.2 4,-1.9 -2,-0.2 5,-0.2 0.859 125.0 55.1 -52.4 -38.6 20.4 42.5 75.5 22 22 A F H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.884 107.0 47.9 -64.0 -42.7 22.1 44.9 73.1 23 23 A L H > S+ 0 0 0 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.828 108.5 54.9 -68.4 -34.6 18.8 46.2 71.7 24 24 A I H X S+ 0 0 60 -4,-1.9 4,-2.1 2,-0.2 6,-0.2 0.923 110.4 45.8 -64.7 -43.4 17.3 46.7 75.2 25 25 A E H <>S+ 0 0 37 -4,-1.9 6,-1.5 2,-0.2 5,-1.3 0.855 111.5 52.2 -68.9 -34.1 20.3 48.9 76.1 26 26 A X H ><5S+ 0 0 1 -4,-1.7 3,-0.7 1,-0.2 -2,-0.2 0.935 112.5 46.0 -65.5 -45.1 20.1 50.8 72.9 27 27 A A H 3<5S+ 0 0 1 -4,-2.4 117,-2.0 1,-0.2 118,-0.4 0.829 117.5 41.5 -67.0 -35.8 16.4 51.5 73.5 28 28 A E T 3<5S- 0 0 87 -4,-2.1 -1,-0.2 115,-0.2 -2,-0.2 0.363 105.2-125.3 -94.4 3.2 16.8 52.5 77.2 29 29 A N T < 5S+ 0 0 47 -3,-0.7 -3,-0.2 -4,-0.5 -4,-0.1 0.724 79.7 118.6 57.9 24.4 20.0 54.6 76.5 30 30 A T < + 0 0 72 -5,-1.3 -4,-0.2 -6,-0.2 2,-0.2 0.460 37.3 127.7 -94.3 -4.2 21.8 52.5 79.1 31 31 A I - 0 0 16 -6,-1.5 2,-0.2 -7,-0.1 -9,-0.0 -0.330 58.5-127.5 -64.0 127.1 24.3 51.2 76.5 32 32 A K > - 0 0 133 -2,-0.2 4,-1.6 1,-0.1 3,-0.4 -0.443 11.7-125.2 -76.4 143.4 27.9 51.6 77.5 33 33 A K H > S+ 0 0 130 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.720 108.7 57.1 -58.0 -29.7 30.3 53.3 75.1 34 34 A E H > S+ 0 0 129 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.902 108.4 46.9 -70.8 -40.8 32.7 50.3 75.2 35 35 A N H > S+ 0 0 30 -3,-0.4 4,-1.6 2,-0.2 -2,-0.2 0.795 112.0 49.3 -72.0 -30.8 30.0 47.9 74.0 36 36 A F H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.906 109.2 53.3 -73.2 -41.5 28.8 50.2 71.2 37 37 A E H X S+ 0 0 86 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.860 109.1 48.1 -59.8 -39.7 32.3 50.7 70.0 38 38 A K H X S+ 0 0 85 -4,-1.6 4,-2.4 167,-0.2 5,-0.2 0.931 111.8 49.1 -71.3 -41.5 32.9 47.0 69.7 39 39 A W H X S+ 0 0 1 -4,-1.6 4,-2.6 1,-0.2 5,-0.2 0.893 111.4 51.6 -62.6 -39.6 29.7 46.4 67.9 40 40 A L H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.889 110.7 45.6 -63.5 -47.8 30.5 49.2 65.5 41 41 A V H X S+ 0 0 13 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.927 117.6 44.7 -63.4 -43.9 34.0 47.9 64.6 42 42 A N H X S+ 0 0 2 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.864 114.2 47.0 -71.5 -34.5 32.7 44.4 64.1 43 43 A D H X S+ 0 0 5 -4,-2.6 4,-3.1 -5,-0.2 -1,-0.2 0.817 105.7 59.9 -76.1 -31.0 29.6 45.3 62.1 44 44 A Y H X S+ 0 0 26 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.913 106.7 47.6 -59.3 -44.7 31.7 47.6 59.9 45 45 A Y H X S+ 0 0 42 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.906 111.2 51.4 -61.9 -41.9 33.7 44.6 58.9 46 46 A F H X S+ 0 0 12 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.934 107.8 52.1 -62.9 -43.4 30.5 42.7 58.4 47 47 A V H X S+ 0 0 4 -4,-3.1 4,-1.3 2,-0.2 -1,-0.2 0.861 107.1 52.3 -61.7 -37.4 29.1 45.4 56.1 48 48 A K H X S+ 0 0 17 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.945 115.6 40.7 -63.8 -46.0 32.2 45.5 53.9 49 49 A N H X S+ 0 0 13 -4,-1.9 4,-2.6 1,-0.2 3,-0.4 0.837 105.5 62.9 -73.0 -31.4 32.0 41.7 53.4 50 50 A A H X S+ 0 0 3 -4,-2.7 4,-2.5 1,-0.3 -1,-0.2 0.871 101.8 56.3 -60.2 -31.0 28.2 41.7 53.0 51 51 A L H X S+ 0 0 0 -4,-1.3 4,-1.6 2,-0.2 -1,-0.3 0.844 107.1 45.6 -68.0 -36.7 29.0 43.9 49.9 52 52 A R H X S+ 0 0 23 -4,-0.8 4,-2.1 -3,-0.4 -2,-0.2 0.864 111.6 54.2 -73.7 -35.2 31.3 41.2 48.5 53 53 A F H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.909 109.4 47.2 -61.6 -45.4 28.6 38.7 49.4 54 54 A X H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.849 110.1 52.3 -66.9 -36.7 26.1 40.7 47.4 55 55 A A H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.880 106.9 53.0 -67.7 -38.2 28.4 41.1 44.4 56 56 A L H X S+ 0 0 12 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.889 110.0 48.4 -63.5 -38.4 28.9 37.3 44.3 57 57 A L H >X S+ 0 0 1 -4,-1.6 4,-0.9 1,-0.2 3,-0.8 0.899 107.5 55.8 -67.3 -40.3 25.2 36.9 44.2 58 58 A X H >< S+ 0 0 0 -4,-2.1 3,-0.7 1,-0.3 -2,-0.2 0.884 100.7 58.7 -58.7 -39.6 24.9 39.5 41.4 59 59 A A H 3< S+ 0 0 1 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.801 114.5 36.8 -60.5 -29.9 27.4 37.5 39.3 60 60 A K H << S+ 0 0 28 -3,-0.8 -1,-0.2 -4,-0.8 -2,-0.2 0.456 95.0 119.4-101.5 -4.4 25.0 34.5 39.5 61 61 A A S << S- 0 0 2 -4,-0.9 5,-0.1 -3,-0.7 -3,-0.1 -0.219 70.6-103.7 -68.0 148.1 21.8 36.5 39.3 62 62 A P > - 0 0 41 0, 0.0 3,-2.3 0, 0.0 4,-0.5 -0.365 39.7-105.7 -64.1 152.6 19.1 36.3 36.5 63 63 A D G > S+ 0 0 72 1,-0.3 3,-1.7 2,-0.2 -2,-0.1 0.871 118.8 58.8 -48.8 -45.2 19.2 39.1 33.9 64 64 A D G 3 S+ 0 0 130 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.456 103.4 53.9 -69.3 2.4 16.1 40.8 35.4 65 65 A L G <> S+ 0 0 17 -3,-2.3 4,-2.5 2,-0.1 -1,-0.3 0.459 81.0 89.4-112.0 -6.9 17.7 41.1 38.8 66 66 A L H <> S+ 0 0 0 -3,-1.7 4,-2.6 -4,-0.5 5,-0.2 0.881 87.3 50.4 -59.2 -44.5 20.9 42.9 37.6 67 67 A P H > S+ 0 0 48 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.977 110.9 50.1 -58.0 -52.6 19.3 46.4 38.0 68 68 A F H > S+ 0 0 4 -4,-0.3 4,-3.2 1,-0.2 5,-0.2 0.910 112.5 46.2 -50.8 -51.3 18.2 45.5 41.6 69 69 A F H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.911 111.6 50.9 -61.3 -43.3 21.7 44.3 42.5 70 70 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.946 116.5 41.5 -60.0 -46.6 23.4 47.3 41.1 71 71 A E H X S+ 0 0 59 -4,-2.8 4,-3.1 -5,-0.2 -2,-0.2 0.928 116.0 48.8 -65.3 -49.3 21.1 49.6 43.0 72 72 A S H X S+ 0 0 4 -4,-3.2 4,-3.6 -5,-0.3 5,-0.3 0.911 110.2 49.8 -59.2 -44.6 21.2 47.6 46.2 73 73 A I H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.919 114.6 46.3 -62.9 -37.2 25.0 47.3 46.3 74 74 A Y H X S+ 0 0 73 -4,-1.7 4,-0.9 -5,-0.3 -2,-0.2 0.937 114.6 47.3 -68.4 -45.3 25.1 51.1 45.7 75 75 A Y H >< S+ 0 0 41 -4,-3.1 3,-1.0 1,-0.2 4,-0.3 0.949 115.5 43.7 -60.3 -52.1 22.5 51.6 48.4 76 76 A I H >< S+ 0 0 2 -4,-3.6 3,-1.8 1,-0.2 4,-0.4 0.828 103.6 66.3 -64.7 -32.5 24.2 49.3 51.0 77 77 A S H >X S+ 0 0 8 -4,-2.2 3,-1.4 -5,-0.3 4,-0.6 0.780 87.5 69.5 -61.5 -24.8 27.6 50.7 50.2 78 78 A K H XX S+ 0 0 66 -3,-1.0 4,-1.6 -4,-0.9 3,-0.8 0.781 83.5 71.8 -63.0 -26.0 26.4 54.1 51.6 79 79 A E H <> S+ 0 0 8 -3,-1.8 4,-2.6 -4,-0.3 -1,-0.3 0.805 87.1 63.9 -58.9 -30.5 26.5 52.3 55.1 80 80 A L H <> S+ 0 0 7 -3,-1.4 4,-2.6 -4,-0.4 -1,-0.2 0.896 102.7 48.0 -60.8 -39.9 30.3 52.4 54.9 81 81 A E H S+ 0 0 5 -4,-2.5 5,-2.0 2,-0.2 4,-0.5 0.809 108.6 53.9 -66.2 -30.0 33.9 56.6 63.9 88 88 A Q H ><5S+ 0 0 150 -4,-1.0 3,-1.0 -5,-0.2 -2,-0.2 0.967 111.1 45.6 -66.5 -48.9 35.4 59.9 62.9 89 89 A E H 3<5S+ 0 0 108 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.821 113.2 48.1 -61.6 -39.7 33.2 61.7 65.5 90 90 A L T 3<5S- 0 0 54 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.480 106.8-123.4 -81.5 -6.2 33.9 59.2 68.3 91 91 A G T < 5 + 0 0 71 -3,-1.0 2,-0.3 -4,-0.5 -3,-0.2 0.867 63.6 148.0 64.1 33.6 37.6 59.3 67.7 92 92 A I < - 0 0 18 -5,-2.0 2,-0.4 -6,-0.2 -1,-0.2 -0.805 46.8-128.9-106.4 144.7 37.5 55.5 67.2 93 93 A S - 0 0 77 -2,-0.3 3,-0.3 1,-0.1 -52,-0.1 -0.770 12.0-168.6 -92.7 133.2 39.6 53.4 64.9 94 94 A L S S+ 0 0 26 -2,-0.4 2,-0.1 1,-0.2 -1,-0.1 0.664 76.3 79.7 -91.3 -17.9 37.9 50.9 62.6 95 95 A N S S+ 0 0 147 3,-0.0 -1,-0.2 2,-0.0 3,-0.1 0.054 75.3 116.6 -79.4 27.3 41.1 49.1 61.7 96 96 A G S S- 0 0 39 -3,-0.3 2,-0.3 1,-0.2 -2,-0.1 0.068 74.8 -58.1 -86.6-166.4 41.1 47.0 64.8 97 97 A E - 0 0 190 1,-0.0 2,-0.4 0, 0.0 -1,-0.2 -0.568 51.1-145.7 -74.5 132.3 40.9 43.4 65.9 98 98 A I - 0 0 42 -2,-0.3 5,-0.0 -3,-0.1 -56,-0.0 -0.876 19.8-109.9-106.2 135.9 37.7 41.7 64.7 99 99 A D > - 0 0 24 -2,-0.4 4,-1.5 -61,-0.2 3,-0.4 -0.223 22.3-125.8 -59.1 150.4 35.9 39.1 66.8 100 100 A W H > S+ 0 0 96 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.900 107.8 61.6 -68.4 -40.1 36.1 35.5 65.4 101 101 A R H > S+ 0 0 61 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.804 105.9 50.5 -55.8 -27.3 32.3 35.0 65.4 102 102 A A H > S+ 0 0 0 -3,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.937 109.0 46.9 -75.9 -48.9 32.2 37.9 62.9 103 103 A K H X S+ 0 0 47 -4,-1.5 4,-3.0 1,-0.2 -2,-0.2 0.878 113.4 53.4 -60.3 -33.0 34.8 36.5 60.5 104 104 A S H X S+ 0 0 2 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.836 108.0 46.3 -71.0 -39.4 33.0 33.3 60.8 105 105 A Y H X S+ 0 0 2 -4,-1.3 4,-2.4 -5,-0.2 -2,-0.2 0.924 115.3 49.7 -67.6 -44.4 29.6 34.7 59.9 106 106 A V H X S+ 0 0 2 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.923 111.7 46.0 -59.0 -50.2 31.3 36.5 57.0 107 107 A N H X S+ 0 0 12 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.819 109.5 55.3 -66.4 -32.0 33.1 33.4 55.7 108 108 A Y H X S+ 0 0 34 -4,-1.7 4,-2.3 -5,-0.2 -2,-0.2 0.972 110.0 47.2 -63.8 -47.5 29.9 31.4 56.0 109 109 A L H X S+ 0 0 3 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.910 110.9 50.5 -58.6 -46.4 28.2 34.0 53.8 110 110 A L H X S+ 0 0 7 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.913 110.4 50.3 -60.4 -40.3 31.0 34.1 51.2 111 111 A S H X>S+ 0 0 11 -4,-2.2 4,-3.1 2,-0.2 5,-0.7 0.885 108.5 52.5 -65.0 -41.2 30.9 30.3 51.0 112 112 A V H X5S+ 0 0 12 -4,-2.3 4,-1.7 3,-0.2 9,-0.2 0.928 113.6 42.5 -62.1 -43.6 27.2 30.2 50.4 113 113 A A H <5S+ 0 0 1 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.898 119.9 44.7 -70.1 -38.6 27.4 32.7 47.6 114 114 A S H <5S+ 0 0 16 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.964 132.8 13.9 -67.3 -56.8 30.5 31.0 46.1 115 115 A L H <5S+ 0 0 23 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.683 109.7 81.7 -97.8 -23.3 29.4 27.4 46.3 116 116 A G S < - 0 0 12 1,-0.1 4,-1.9 66,-0.1 -1,-0.1 -0.267 40.0-104.3 -77.2 170.3 22.7 27.9 44.6 118 118 A F H > S+ 0 0 33 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.894 121.0 52.9 -65.0 -36.2 21.3 31.3 43.8 119 119 A L H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.925 107.7 50.1 -64.9 -45.3 18.2 30.6 46.0 120 120 A E H > S+ 0 0 10 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.932 114.7 45.6 -57.0 -46.1 20.4 29.6 49.0 121 121 A G H X S+ 0 0 0 -4,-1.9 4,-1.6 -9,-0.2 -2,-0.2 0.871 114.4 45.3 -66.6 -40.6 22.3 32.8 48.5 122 122 A F H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.836 109.7 56.4 -74.1 -29.1 19.3 35.1 48.0 123 123 A T H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.844 106.9 51.3 -67.6 -32.6 17.6 33.4 51.0 124 124 A A H X S+ 0 0 0 -4,-1.4 4,-2.5 -5,-0.2 -2,-0.2 0.907 108.1 51.1 -70.2 -40.7 20.7 34.4 53.0 125 125 A L H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 5,-0.3 0.924 111.2 48.0 -61.1 -46.4 20.4 38.0 51.8 126 126 A Y H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.938 111.9 49.4 -60.8 -48.3 16.8 38.2 52.9 127 127 A C H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.948 113.2 45.2 -56.9 -54.1 17.5 36.7 56.3 128 128 A E H X S+ 0 0 9 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.858 119.2 41.3 -59.6 -40.6 20.3 39.0 57.1 129 129 A E H X S+ 0 0 7 -4,-2.1 4,-2.1 -5,-0.2 3,-0.3 0.928 115.9 48.3 -74.2 -47.9 18.5 42.2 55.9 130 130 A K H X S+ 0 0 28 -4,-3.1 4,-2.1 -5,-0.3 5,-0.2 0.831 107.9 58.0 -60.4 -34.6 15.1 41.3 57.4 131 131 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.885 109.3 42.7 -67.4 -37.1 16.8 40.5 60.7 132 132 A Y H X S+ 0 0 15 -4,-1.1 4,-3.1 -3,-0.3 5,-0.4 0.858 109.6 58.1 -76.1 -34.6 18.3 44.0 61.0 133 133 A Y H X S+ 0 0 44 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.933 113.6 38.3 -59.2 -45.4 15.0 45.5 59.9 134 134 A E H X S+ 0 0 46 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.859 116.0 52.6 -74.0 -37.7 13.1 43.9 62.7 135 135 A A H X S+ 0 0 0 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.964 116.6 37.5 -63.5 -51.3 15.9 44.3 65.2 136 136 A W H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 21,-0.2 0.841 113.0 57.0 -72.5 -28.2 16.3 48.0 64.6 137 137 A K H X S+ 0 0 44 -4,-1.8 4,-2.3 -5,-0.4 -1,-0.2 0.840 106.1 52.6 -69.1 -32.3 12.5 48.5 64.2 138 138 A W H X S+ 0 0 58 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.915 107.7 50.1 -67.6 -45.3 12.2 47.0 67.7 139 139 A V H X S+ 0 0 0 -4,-1.6 4,-0.5 1,-0.2 3,-0.3 0.903 112.5 48.9 -59.9 -39.8 14.7 49.5 69.1 140 140 A R H >< S+ 0 0 107 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.919 108.2 50.7 -69.4 -41.8 12.8 52.2 67.5 141 141 A E H 3< S+ 0 0 140 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.691 118.2 41.9 -70.7 -11.5 9.3 51.1 68.8 142 142 A N H 3< S+ 0 0 78 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.351 79.7 134.0-117.8 9.2 10.8 51.0 72.3 143 143 A L << - 0 0 41 -3,-0.9 -115,-0.2 -4,-0.5 -116,-0.1 -0.321 34.1-169.0 -63.0 132.5 13.0 54.1 72.5 144 144 A K S S+ 0 0 139 -117,-2.0 2,-0.3 1,-0.3 -1,-0.1 0.925 72.0 0.0 -84.6 -57.1 12.6 56.1 75.7 145 145 A E S S- 0 0 97 -118,-0.4 -1,-0.3 1,-0.0 2,-0.1 -0.814 96.9 -69.9-129.0 167.8 14.5 59.2 74.6 146 146 A R - 0 0 216 -2,-0.3 -1,-0.0 -3,-0.1 -2,-0.0 -0.403 57.6-133.7 -59.2 126.9 16.3 60.4 71.4 147 147 A S > - 0 0 4 -2,-0.1 3,-1.4 1,-0.1 4,-0.1 -0.516 12.7-131.7 -88.2 150.2 19.5 58.3 71.1 148 148 A P T 3 S+ 0 0 92 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.635 118.0 45.8 -70.7 -14.4 23.1 59.5 70.4 149 149 A Y T >> S+ 0 0 27 -123,-0.1 3,-2.1 1,-0.1 4,-1.4 0.116 74.9 128.6-111.3 13.5 23.1 56.7 67.8 150 150 A Q H <> + 0 0 32 -3,-1.4 4,-2.1 1,-0.3 -1,-0.1 0.710 64.5 65.8 -41.1 -30.8 19.6 57.6 66.5 151 151 A E H 3> S+ 0 0 95 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.865 102.2 43.9 -65.3 -39.7 21.1 57.6 63.0 152 152 A F H <> S+ 0 0 0 -3,-2.1 4,-1.9 2,-0.2 5,-0.3 0.943 112.3 53.1 -70.3 -47.4 21.8 53.9 63.0 153 153 A I H X S+ 0 0 0 -4,-1.4 4,-0.8 1,-0.2 -2,-0.2 0.892 113.3 45.6 -54.7 -38.5 18.4 53.1 64.5 154 154 A N H X S+ 0 0 49 -4,-2.1 4,-1.2 -5,-0.2 -1,-0.2 0.883 106.2 55.1 -77.4 -39.2 16.8 55.1 61.8 155 155 A H H < S+ 0 0 35 -4,-2.0 3,-0.5 1,-0.2 6,-0.4 0.956 116.1 38.2 -59.2 -49.6 18.6 53.8 58.8 156 156 A W H < S+ 0 0 3 -4,-1.9 -19,-0.3 1,-0.2 -1,-0.2 0.591 122.2 43.2 -79.1 -12.0 17.7 50.2 59.5 157 157 A S H < S+ 0 0 13 -4,-0.8 -1,-0.2 -5,-0.3 -2,-0.2 0.416 92.2 121.9-108.0 -1.1 14.2 51.0 60.7 158 158 A S S X S- 0 0 24 -4,-1.2 4,-2.5 -3,-0.5 5,-0.2 -0.095 74.2-121.2 -63.9 157.1 13.5 53.5 57.9 159 159 A Q H > S+ 0 0 152 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.874 115.6 56.2 -62.5 -39.1 10.7 53.2 55.4 160 160 A E H > S+ 0 0 119 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.898 109.2 43.4 -60.8 -45.7 13.4 53.1 52.7 161 161 A F H > S+ 0 0 0 -6,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.900 112.9 53.7 -69.5 -36.7 15.2 50.1 54.2 162 162 A G H X S+ 0 0 9 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.868 108.2 49.2 -64.2 -36.1 11.8 48.4 54.8 163 163 A E H X S+ 0 0 112 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.852 109.8 52.9 -69.8 -36.0 10.9 48.9 51.2 164 164 A Y H X S+ 0 0 16 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.908 110.6 46.4 -64.6 -42.6 14.3 47.4 50.3 165 165 A V H X S+ 0 0 2 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.940 111.6 51.1 -65.7 -44.0 13.5 44.4 52.5 166 166 A K H X S+ 0 0 126 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.871 108.2 52.7 -60.1 -39.2 10.1 44.0 51.0 167 167 A R H X S+ 0 0 110 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.922 111.2 46.4 -63.6 -42.8 11.6 44.2 47.5 168 168 A I H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.936 111.2 52.9 -62.7 -44.5 14.0 41.4 48.4 169 169 A E H X S+ 0 0 27 -4,-2.8 4,-2.2 1,-0.2 -166,-0.2 0.848 108.1 49.7 -60.7 -37.9 11.2 39.4 50.0 170 170 A K H X S+ 0 0 157 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.902 111.7 47.4 -70.3 -44.4 9.1 39.6 46.8 171 171 A I H X S+ 0 0 28 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.920 112.4 51.6 -61.8 -43.7 11.9 38.4 44.6 172 172 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.897 107.9 51.3 -60.1 -42.6 12.6 35.6 47.0 173 173 A N H X S+ 0 0 10 -4,-2.2 4,-1.3 1,-0.2 -171,-0.2 0.891 110.8 47.4 -65.8 -36.7 9.0 34.4 47.0 174 174 A S H X S+ 0 0 68 -4,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.896 112.7 50.0 -69.3 -41.5 8.9 34.3 43.2 175 175 A L H >< S+ 0 0 11 -4,-2.3 3,-0.9 1,-0.2 4,-0.3 0.940 108.2 51.5 -61.9 -49.1 12.2 32.4 43.1 176 176 A A H >< S+ 0 0 3 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.833 101.0 65.5 -57.9 -33.4 11.1 29.9 45.6 177 177 A E H 3< S+ 0 0 148 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.843 102.9 44.1 -59.2 -39.0 7.9 29.2 43.6 178 178 A K T << S+ 0 0 87 -4,-1.0 422,-0.5 -3,-0.9 421,-0.5 0.341 99.5 91.2 -90.9 8.3 9.7 27.8 40.6 179 179 A H S < S- 0 0 16 -3,-1.4 2,-0.2 -4,-0.3 417,-0.1 -0.852 76.5-121.0-106.7 139.9 12.0 25.7 42.7 180 180 A G >> - 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0 0 38 0, 0.0 3,-2.4 0, 0.0 4,-0.6 -0.296 39.1-105.9 -65.5 151.0 40.9 45.1 48.4 270 63 B D G >4 S+ 0 0 73 1,-0.3 3,-1.2 2,-0.2 -2,-0.1 0.836 117.9 59.8 -46.1 -43.5 38.8 47.0 51.0 271 64 B D G 34 S+ 0 0 125 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.517 104.0 51.8 -68.5 -3.7 39.9 50.4 49.6 272 65 B L G <> S+ 0 0 17 -3,-2.4 4,-2.6 2,-0.1 5,-0.2 0.507 80.2 92.4-108.5 -9.1 38.3 49.6 46.2 273 66 B L H S+ 0 0 43 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.901 110.7 51.5 -62.7 -40.7 33.4 52.1 47.0 275 68 B F H > S+ 0 0 3 -4,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.935 112.1 45.4 -60.7 -48.4 34.9 52.3 43.5 276 69 B F H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.870 111.5 52.7 -64.9 -36.7 33.3 49.0 42.5 277 70 B A H X S+ 0 0 0 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.935 115.5 40.5 -63.7 -44.5 30.0 50.0 44.1 278 71 B E H X S+ 0 0 58 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.871 116.0 50.1 -70.3 -42.4 29.9 53.3 42.1 279 72 B S H X S+ 0 0 4 -4,-2.9 4,-3.5 2,-0.2 5,-0.3 0.918 110.4 48.3 -65.6 -46.5 31.2 51.8 38.9 280 73 B I H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.922 114.0 47.6 -60.9 -41.4 28.8 48.9 38.8 281 74 B Y H X S+ 0 0 75 -4,-1.6 4,-0.7 -5,-0.3 -2,-0.2 0.935 114.8 46.9 -63.8 -45.6 25.9 51.3 39.5 282 75 B Y H >< S+ 0 0 38 -4,-2.6 3,-1.4 1,-0.2 4,-0.4 0.965 114.9 44.5 -59.9 -54.5 27.3 53.7 36.8 283 76 B I H >< S+ 0 0 2 -4,-3.5 3,-1.4 1,-0.3 4,-0.3 0.797 103.8 65.4 -62.0 -33.1 27.8 50.9 34.2 284 77 B S H >X S+ 0 0 6 -4,-2.3 3,-1.3 -5,-0.3 4,-0.6 0.749 88.0 69.8 -61.9 -24.2 24.3 49.4 35.0 285 78 B K H XX S+ 0 0 66 -3,-1.4 4,-1.6 -4,-0.7 3,-0.6 0.815 83.7 71.5 -63.1 -27.8 22.8 52.6 33.7 286 79 B E H <> S+ 0 0 8 -3,-1.4 4,-2.1 -4,-0.4 -1,-0.3 0.780 87.5 63.9 -58.1 -30.6 23.9 51.4 30.2 287 80 B L H <> S+ 0 0 6 -3,-1.3 4,-2.5 -4,-0.3 -1,-0.2 0.931 102.7 46.6 -60.1 -47.0 21.2 48.7 30.4 288 81 B E H X S+ 0 0 106 -4,-2.9 4,-2.1 2,-0.2 3,-1.5 0.996 112.3 48.1 -62.6 -60.2 15.3 52.9 25.7 293 86 B K H 3X S+ 0 0 14 -4,-1.7 4,-1.4 1,-0.3 -2,-0.2 0.811 110.1 54.0 -49.3 -37.3 16.9 52.8 22.2 294 87 B A H 3<>S+ 0 0 4 -4,-1.8 5,-2.6 2,-0.2 -1,-0.3 0.809 107.2 49.9 -70.3 -32.6 15.4 49.4 21.6 295 88 B Q H X<5S+ 0 0 160 -3,-1.5 3,-1.2 -4,-1.4 -2,-0.2 0.925 110.1 50.0 -68.0 -48.3 11.8 50.6 22.4 296 89 B E H 3<5S+ 0 0 115 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.798 115.6 43.6 -60.4 -31.8 12.2 53.6 20.1 297 90 B L T 3<5S- 0 0 60 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.370 106.6-126.6 -96.0 2.0 13.4 51.3 17.3 298 91 B G T < 5 + 0 0 73 -3,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.859 60.5 148.5 53.7 37.5 10.8 48.7 18.0 299 92 B I < - 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