==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IRON-BINDING/OXIDATION PROTEIN 14-OCT-05 2C41 . COMPND 2 MOLECULE: DPS FAMILY DNA-BINDING STRESS RESPONSE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOSYNECHOCOCCUS ELONGATUS; . AUTHOR A.ILARI,S.FRANCESCHINI,P.CECI,E.CHIANCONE . 1853 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59008.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1511 81.5 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 . 12 0.6 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 . 12 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 180 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1259 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.3 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 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 10 2 0 0 24 5 7 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 4 A T 0 0 193 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -43.4 22.8 -17.1 75.6 2 5 A T - 0 0 75 1,-0.1 5,-0.0 2,-0.0 2,-0.0 -0.730 360.0-115.4-109.6 148.2 23.4 -13.3 76.2 3 6 A T > - 0 0 74 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.264 31.8-115.3 -65.4 160.7 25.5 -10.6 74.6 4 7 A L H > S+ 0 0 101 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.795 119.9 62.4 -72.9 -25.6 28.2 -9.1 76.7 5 8 A K H > S+ 0 0 63 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.954 104.0 49.5 -51.0 -51.7 26.2 -5.9 76.4 6 9 A E H > S+ 0 0 92 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.864 108.2 49.7 -61.8 -42.9 23.5 -7.7 78.3 7 10 A Q H X S+ 0 0 99 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.932 115.0 44.8 -63.1 -46.2 25.7 -9.1 81.2 8 11 A V H X S+ 0 0 2 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.934 113.0 51.6 -62.4 -45.1 27.2 -5.7 81.9 9 12 A L H X S+ 0 0 16 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.884 106.1 55.0 -61.0 -38.1 23.7 -4.1 81.6 10 13 A T H X S+ 0 0 84 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.916 107.6 49.7 -58.4 -42.9 22.4 -6.7 84.1 11 14 A T H X S+ 0 0 3 -4,-1.8 4,-2.9 1,-0.2 -2,-0.2 0.909 108.5 52.8 -63.3 -42.0 25.1 -5.6 86.6 12 15 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.881 107.9 50.6 -64.7 -39.7 24.2 -1.9 86.1 13 16 A K H X S+ 0 0 65 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.928 113.8 44.6 -60.8 -46.8 20.5 -2.5 86.9 14 17 A R H X S+ 0 0 44 -4,-2.0 4,-2.4 2,-0.2 68,-0.3 0.919 116.2 46.8 -63.6 -45.5 21.4 -4.4 90.1 15 18 A E H X S+ 0 0 1 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.907 112.9 49.4 -64.6 -42.3 24.0 -1.8 91.1 16 19 A Q H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.932 112.1 47.5 -62.4 -47.3 21.6 1.1 90.4 17 20 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.889 110.4 53.4 -61.1 -40.4 18.8 -0.6 92.4 18 21 A N H X S+ 0 0 1 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.889 106.5 52.8 -59.5 -41.0 21.3 -1.2 95.2 19 22 A A H X S+ 0 0 4 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.917 110.2 47.8 -61.1 -43.2 22.2 2.5 95.2 20 23 A V H X S+ 0 0 4 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.943 115.9 42.8 -63.5 -50.7 18.5 3.5 95.5 21 24 A V H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 65,-0.3 0.913 114.3 51.2 -62.9 -43.3 17.8 1.0 98.4 22 25 A M H X S+ 0 0 0 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.907 110.8 49.6 -61.9 -41.0 21.1 1.9 100.1 23 26 A Y H X S+ 0 0 14 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.945 111.2 47.6 -60.9 -49.5 20.2 5.6 99.9 24 27 A L H X S+ 0 0 18 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.874 109.9 54.1 -63.7 -36.8 16.7 5.1 101.3 25 28 A N H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.924 107.0 51.5 -56.2 -48.5 18.2 3.0 104.1 26 29 A Y H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.863 106.8 53.5 -59.9 -37.5 20.5 5.9 104.9 27 30 A K H X S+ 0 0 4 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.917 106.6 52.7 -62.8 -43.1 17.5 8.2 105.1 28 31 A K H X S+ 0 0 0 -4,-2.1 4,-2.8 199,-0.3 -2,-0.2 0.943 112.4 44.3 -53.0 -50.5 15.9 5.9 107.6 29 32 A Y H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.930 112.2 53.1 -63.0 -46.2 19.1 6.0 109.7 30 33 A H H < S+ 0 0 8 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.930 117.9 37.0 -49.3 -49.8 19.3 9.8 109.3 31 34 A W H < S+ 0 0 1 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.852 123.1 39.0 -76.0 -37.4 15.6 10.2 110.5 32 35 A L H < S+ 0 0 19 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.435 81.8 116.6-103.0 -1.5 15.5 7.5 113.2 33 36 A T < + 0 0 0 -4,-1.7 2,-0.3 -5,-0.2 58,-0.0 -0.298 41.1 168.6 -65.1 154.6 18.9 7.8 114.9 34 37 A Y + 0 0 41 585,-0.1 3,-0.3 580,-0.1 580,-0.1 -0.947 19.0 66.3-159.7 169.3 18.7 8.9 118.5 35 38 A G S > S- 0 0 0 578,-2.1 3,-2.0 -2,-0.3 580,-0.2 -0.331 96.8 -41.3 97.3-179.6 20.7 9.3 121.7 36 39 A P T 3 S+ 0 0 3 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.558 133.2 57.8 -63.2 -9.9 23.6 11.6 122.8 37 40 A L T 3> S+ 0 0 5 -3,-0.3 4,-2.7 1,-0.1 5,-0.3 0.212 74.0 120.2 -98.2 13.9 25.3 11.1 119.5 38 41 A F H <> S+ 0 0 0 -3,-2.0 4,-3.3 1,-0.2 5,-0.3 0.864 71.1 42.0 -52.4 -57.1 22.3 12.5 117.5 39 42 A R H > S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.950 117.1 48.2 -59.2 -48.3 23.8 15.5 115.7 40 43 A D H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.925 119.5 38.4 -56.0 -49.0 27.0 13.7 114.8 41 44 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.875 110.4 58.2 -73.4 -40.1 25.2 10.6 113.5 42 45 A H H X S+ 0 0 11 -4,-3.3 4,-1.6 -5,-0.3 -1,-0.2 0.929 113.8 42.1 -51.5 -46.0 22.3 12.6 111.9 43 46 A L H X S+ 0 0 46 -4,-2.5 4,-3.1 -5,-0.3 -2,-0.2 0.930 111.4 54.1 -68.1 -47.1 25.0 14.3 109.8 44 47 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.4 0.929 110.2 46.9 -51.0 -50.9 27.0 11.1 109.1 45 48 A F H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.875 114.0 47.5 -65.1 -37.4 24.0 9.4 107.7 46 49 A E H X S+ 0 0 56 -4,-1.6 4,-2.5 -5,-0.3 -1,-0.2 0.910 113.7 47.8 -67.0 -43.2 23.1 12.4 105.6 47 50 A E H X S+ 0 0 83 -4,-3.1 4,-1.6 2,-0.2 -2,-0.2 0.954 117.8 39.0 -64.1 -51.7 26.7 12.8 104.3 48 51 A Q H X S+ 0 0 5 -4,-2.8 4,-2.3 -5,-0.2 5,-0.2 0.918 115.6 54.6 -67.4 -40.5 27.2 9.1 103.4 49 52 A G H X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.4 -2,-0.2 0.901 106.1 52.3 -54.8 -43.2 23.6 9.0 102.1 50 53 A S H X S+ 0 0 59 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.861 108.4 50.4 -65.2 -36.0 24.3 11.9 99.8 51 54 A E H X S+ 0 0 68 -4,-1.6 4,-0.7 2,-0.2 -1,-0.2 0.896 112.7 45.7 -69.4 -40.0 27.3 10.2 98.3 52 55 A V H >X S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.2 4,-0.7 0.914 108.7 58.6 -66.0 -41.9 25.3 7.0 97.7 53 56 A F H >X S+ 0 0 53 -4,-2.9 3,-1.5 1,-0.3 4,-0.6 0.892 98.4 57.8 -52.1 -46.9 22.5 9.2 96.2 54 57 A A H 3X S+ 0 0 54 -4,-1.8 4,-1.1 1,-0.3 -1,-0.3 0.771 98.4 62.5 -58.5 -27.4 24.8 10.7 93.5 55 58 A M H <>S+ 0 0 0 -4,-1.1 5,-2.7 -3,-0.4 3,-0.7 0.906 108.4 48.5 -55.8 -44.9 22.8 1.9 81.0 64 67 A L H ><5S+ 0 0 11 -4,-1.1 3,-1.8 1,-0.2 -1,-0.2 0.871 106.1 56.5 -63.2 -39.5 21.5 4.5 78.5 65 68 A M H 3<5S+ 0 0 25 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.691 105.6 53.0 -67.0 -17.7 25.1 5.2 77.3 66 69 A L T <<5S- 0 0 16 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.097 124.3-105.2-100.8 17.3 25.3 1.4 76.5 67 70 A D T < 5S+ 0 0 93 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.711 90.1 105.1 63.2 24.5 22.1 1.6 74.4 68 71 A G < - 0 0 15 -5,-2.7 -1,-0.2 -6,-0.2 -62,-0.0 -0.341 69.9-107.3-110.5-165.2 20.2 -0.2 77.2 69 72 A Q - 0 0 74 -2,-0.1 -56,-0.1 -3,-0.1 3,-0.1 -0.988 21.8-132.3-128.4 145.6 17.7 1.0 79.8 70 73 A P - 0 0 8 0, 0.0 2,-0.3 0, 0.0 -57,-0.1 -0.279 42.6 -82.7 -78.3 172.9 18.1 1.5 83.6 71 74 A V + 0 0 6 1,-0.2 -8,-0.1 -59,-0.1 6,-0.0 -0.614 64.2 153.5 -64.6 139.1 15.7 0.2 86.2 72 75 A A + 0 0 5 -2,-0.3 111,-0.3 1,-0.2 169,-0.2 0.529 34.3 92.1-145.0 -35.6 13.0 2.9 86.2 73 76 A D S >> S- 0 0 29 1,-0.1 3,-2.2 167,-0.1 4,-0.6 -0.609 71.5-137.6 -69.7 120.1 9.6 1.6 87.4 74 77 A P G >4 S+ 0 0 8 0, 0.0 3,-0.9 0, 0.0 4,-0.5 0.836 102.4 60.3 -51.2 -34.3 9.6 2.3 91.2 75 78 A A G 34 S+ 0 0 39 166,-0.4 4,-0.3 1,-0.2 3,-0.1 0.691 98.3 61.3 -63.7 -20.5 8.1 -1.2 91.8 76 79 A D G X> S+ 0 0 62 -3,-2.2 4,-1.3 1,-0.2 3,-0.8 0.727 82.8 77.9 -79.5 -25.6 11.2 -2.8 90.2 77 80 A Y H XX S+ 0 0 7 -3,-0.9 4,-2.5 -4,-0.6 3,-0.7 0.912 96.9 42.6 -56.9 -48.7 13.8 -1.5 92.6 78 81 A L H 34 S+ 0 0 73 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.657 112.8 55.9 -72.9 -15.3 13.1 -4.0 95.5 79 82 A K H <4 S+ 0 0 163 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.2 0.683 117.4 33.4 -85.0 -21.2 12.8 -6.8 92.9 80 83 A V H << S+ 0 0 49 -4,-1.3 -2,-0.2 -3,-0.7 -3,-0.2 0.733 96.2 96.8-106.5 -33.7 16.3 -6.2 91.4 81 84 A A < - 0 0 20 -4,-2.5 -66,-0.1 -5,-0.3 -67,-0.1 -0.282 47.2-169.2 -62.0 141.7 18.2 -5.0 94.5 82 85 A T + 0 0 60 -68,-0.3 -1,-0.1 2,-0.1 2,-0.1 0.567 61.3 95.8-104.7 -15.7 20.4 -7.5 96.4 83 86 A V S S- 0 0 4 1,-0.1 19,-0.0 22,-0.0 -62,-0.0 -0.417 88.6-102.9 -67.6 150.9 21.1 -5.2 99.3 84 87 A T - 0 0 82 14,-0.2 2,-0.3 -2,-0.1 -1,-0.1 -0.684 28.7-134.1 -79.4 118.8 18.8 -5.7 102.3 85 88 A P - 0 0 42 0, 0.0 143,-0.1 0, 0.0 -63,-0.1 -0.579 36.9-102.6 -68.8 134.3 16.1 -3.0 102.5 86 89 A S - 0 0 1 -2,-0.3 144,-0.4 -65,-0.3 2,-0.4 -0.352 43.5-167.7 -65.4 139.1 16.0 -1.9 106.2 87 90 A S - 0 0 91 141,-0.1 -1,-0.0 142,-0.1 -3,-0.0 -0.993 35.8 -16.3-135.6 128.8 13.1 -3.3 108.2 88 91 A G S S- 0 0 32 -2,-0.4 2,-0.3 2,-0.0 -1,-0.0 0.024 95.3 -29.0 81.3 179.2 11.6 -2.5 111.6 89 92 A Q - 0 0 150 1,-0.0 2,-0.3 0, 0.0 -2,-0.1 -0.540 65.2-176.3 -74.3 131.2 12.8 -0.6 114.7 90 93 A L - 0 0 32 -2,-0.3 2,-0.1 -58,-0.1 -2,-0.0 -0.952 25.4-123.7-129.5 148.0 16.5 -0.7 115.1 91 94 A T > - 0 0 40 -2,-0.3 4,-2.2 1,-0.1 528,-0.2 -0.431 38.2-106.8 -75.7 164.5 19.0 0.6 117.6 92 95 A V H > S+ 0 0 0 527,-0.3 4,-2.4 2,-0.2 5,-0.2 0.918 123.5 53.6 -59.3 -43.9 21.7 2.9 116.3 93 96 A K H > S+ 0 0 72 526,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.925 109.3 48.9 -54.3 -45.9 24.3 0.1 116.7 94 97 A Q H > S+ 0 0 85 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.868 108.5 52.9 -63.6 -39.3 22.0 -2.1 114.6 95 98 A M H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.927 111.7 46.0 -59.3 -47.3 21.6 0.6 111.9 96 99 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.916 112.9 49.6 -63.4 -44.7 25.4 0.9 111.7 97 100 A E H X S+ 0 0 87 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.901 112.3 48.2 -59.2 -43.7 25.9 -2.9 111.6 98 101 A E H X S+ 0 0 40 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.912 110.4 51.5 -63.4 -44.9 23.2 -3.2 108.8 99 102 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.915 109.9 49.5 -58.7 -46.9 24.9 -0.4 106.8 100 103 A I H X S+ 0 0 14 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.923 110.6 50.1 -58.3 -47.8 28.3 -2.1 107.0 101 104 A A H X S+ 0 0 54 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.919 113.3 45.7 -58.5 -46.1 26.9 -5.5 105.9 102 105 A N H X S+ 0 0 6 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.903 112.1 51.0 -64.9 -42.8 25.1 -3.8 102.9 103 106 A H H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.902 108.9 52.2 -59.8 -40.4 28.3 -1.8 102.0 104 107 A E H X S+ 0 0 74 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.896 109.0 49.7 -65.7 -39.0 30.3 -5.0 102.1 105 108 A L H X S+ 0 0 53 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.947 113.0 46.9 -61.6 -48.3 27.8 -6.7 99.7 106 109 A I H X S+ 0 0 1 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.907 111.0 51.6 -60.7 -43.7 28.1 -3.7 97.4 107 110 A I H X S+ 0 0 20 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.927 111.9 47.2 -60.1 -46.3 31.9 -3.7 97.6 108 111 A T H X S+ 0 0 77 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.948 114.4 47.0 -58.5 -49.7 32.0 -7.4 96.7 109 112 A E H X S+ 0 0 24 -4,-2.7 4,-3.3 1,-0.2 -2,-0.2 0.886 108.9 53.9 -62.7 -40.0 29.6 -6.9 93.8 110 113 A M H X S+ 0 0 2 -4,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.873 108.7 48.9 -65.9 -36.5 31.4 -3.8 92.4 111 114 A H H X S+ 0 0 48 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.943 115.3 44.8 -63.8 -45.3 34.7 -5.8 92.3 112 115 A Q H X S+ 0 0 111 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.921 115.5 47.8 -60.8 -45.2 32.8 -8.7 90.5 113 116 A D H X S+ 0 0 2 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.827 107.4 54.7 -70.3 -34.1 31.0 -6.2 88.2 114 117 A A H X S+ 0 0 3 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.903 108.8 49.9 -62.8 -40.4 34.2 -4.3 87.3 115 118 A E H X S+ 0 0 98 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.906 109.7 50.4 -65.3 -41.9 35.7 -7.7 86.3 116 119 A I H X S+ 0 0 59 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.930 112.4 47.4 -57.9 -48.4 32.7 -8.5 84.1 117 120 A A H <>S+ 0 0 0 -4,-2.4 5,-2.5 2,-0.2 4,-0.4 0.912 111.3 50.8 -60.9 -44.2 32.9 -5.0 82.5 118 121 A T H ><5S+ 0 0 77 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.912 109.0 50.8 -61.4 -43.1 36.7 -5.4 81.9 119 122 A E H 3<5S+ 0 0 145 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.840 108.9 52.2 -64.3 -30.2 36.1 -8.8 80.3 120 123 A A T 3<5S- 0 0 25 -4,-1.7 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4,-2.9 -5,-0.4 -2,-0.2 0.892 105.8 51.5 -55.3 -41.9 21.2 29.7 118.8 518 53 D S H X S+ 0 0 62 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.843 108.5 50.8 -68.8 -32.9 21.8 31.4 115.4 519 54 D E H X S+ 0 0 67 -4,-1.4 4,-0.6 2,-0.2 -1,-0.2 0.894 113.0 45.4 -71.3 -39.7 18.4 30.4 114.1 520 55 D V H >X S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 4,-0.7 0.921 109.0 58.3 -64.6 -43.4 16.7 31.8 117.3 521 56 D F H >X S+ 0 0 48 -4,-2.9 3,-1.4 1,-0.3 4,-0.6 0.891 98.3 58.4 -51.5 -45.6 19.0 34.9 116.9 522 57 D A H 3X S+ 0 0 55 -4,-1.7 4,-1.1 1,-0.3 -1,-0.3 0.766 98.4 62.0 -57.6 -26.7 17.6 35.7 113.4 523 58 D M H X S+ 0 0 0 -4,-2.3 4,-1.1 -5,-0.3 3,-0.6 0.947 112.5 45.7 -66.5 -48.6 11.1 43.5 116.6 529 64 D E H 3X S+ 0 0 16 -4,-2.9 4,-2.2 1,-0.2 5,-0.2 0.806 101.8 66.7 -70.8 -25.6 10.6 45.0 113.2 530 65 D R H 3X S+ 0 0 3 -4,-1.6 4,-0.9 -5,-0.3 -1,-0.2 0.910 98.3 54.1 -56.9 -41.6 7.2 43.4 112.9 531 66 D S H X<>S+ 0 0 0 -4,-1.0 5,-2.7 -3,-0.6 3,-0.7 0.918 108.6 48.4 -56.6 -45.9 6.1 45.8 115.7 532 67 D L H ><5S+ 0 0 11 -4,-1.1 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2,-0.3 0, 0.0 -2,-0.1 -0.556 65.3-174.6 -73.7 131.7 25.9 25.9 137.0 558 93 D L - 0 0 31 -2,-0.3 2,-0.1 -58,-0.1 -2,-0.1 -0.951 24.3-125.0-128.3 145.0 24.2 23.2 134.9 559 94 D T > - 0 0 42 -2,-0.3 4,-2.3 1,-0.1 372,-0.2 -0.436 37.8-107.1 -74.6 164.3 25.1 19.8 133.6 560 95 D V H > S+ 0 0 1 371,-0.3 4,-2.3 1,-0.2 5,-0.2 0.925 123.5 53.4 -58.7 -45.6 24.8 19.2 129.8 561 96 D K H > S+ 0 0 69 370,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.922 109.2 49.1 -52.5 -47.4 21.7 17.1 130.4 562 97 D Q H > S+ 0 0 88 369,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.873 108.0 53.4 -63.9 -39.5 20.2 20.0 132.4 563 98 D M H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.923 111.4 46.2 -58.1 -46.1 21.0 22.5 129.7 564 99 D I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.917 112.5 49.7 -65.5 -44.4 19.2 20.3 127.1 565 100 D E H X S+ 0 0 82 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.903 112.4 48.0 -58.9 -44.6 16.2 19.8 129.5 566 101 D E H X S+ 0 0 38 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.914 110.9 50.8 -62.9 -46.5 16.0 23.6 130.1 567 102 D A H X S+ 0 0 0 -4,-2.5 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1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.945 110.2 43.9 -58.6 -48.7 73.6 37.3 119.0 784 7 F L H > S+ 0 0 26 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.903 112.1 51.5 -65.6 -43.4 70.1 38.4 119.9 785 8 F K H X S+ 0 0 111 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.913 110.4 50.5 -59.1 -41.1 68.9 38.6 116.2 786 9 F E H X S+ 0 0 103 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.852 106.7 56.5 -63.0 -33.1 70.3 35.0 115.9 787 10 F Q H X S+ 0 0 97 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.903 105.0 49.2 -68.4 -39.0 68.3 34.2 119.0 788 11 F V H X S+ 0 0 3 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.938 111.3 51.2 -61.2 -45.0 65.0 35.3 117.4 789 12 F L H X S+ 0 0 14 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.887 107.2 53.5 -59.1 -39.2 65.9 33.2 114.4 790 13 F T H X S+ 0 0 85 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.907 107.0 51.5 -62.7 -39.4 66.5 30.2 116.6 791 14 F T H X S+ 0 0 4 -4,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.901 108.1 52.2 -63.0 -41.2 63.1 30.6 118.2 792 15 F L H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.878 108.0 50.7 -65.5 -38.7 61.5 30.7 114.7 793 16 F K H X S+ 0 0 61 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4,-2.1 -5,-0.2 -2,-0.2 0.938 111.1 47.5 -61.1 -50.4 50.5 19.0 112.5 804 27 F L H X S+ 0 0 19 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.878 110.2 54.1 -61.2 -38.8 51.8 15.4 111.8 805 28 F N H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.926 106.9 51.5 -56.1 -47.9 50.6 14.4 115.3 806 29 F Y H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.883 106.9 53.2 -59.2 -38.4 47.1 15.8 114.5 807 30 F K H X S+ 0 0 4 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.910 106.6 52.9 -63.7 -41.7 47.1 13.7 111.3 808 31 F K H X S+ 0 0 1 -4,-2.0 4,-2.8 -113,-0.3 -2,-0.2 0.940 112.1 44.7 -55.0 -48.6 47.8 10.6 113.3 809 32 F Y H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.922 112.3 52.6 -64.0 -46.1 44.9 11.4 115.6 810 33 F H H < S+ 0 0 8 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.930 117.8 37.5 -49.0 -51.8 42.6 12.2 112.6 811 34 F W H < S+ 0 0 1 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.864 122.9 39.2 -73.4 -38.2 43.5 8.8 111.0 812 35 F L H < S+ 0 0 20 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.460 81.8 116.6-102.2 -3.7 43.6 6.6 114.1 813 36 F T < + 0 0 0 -4,-1.8 2,-0.3 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37.8-108.0 -73.3 162.8 43.6 5.5 123.1 872 95 F V H > S+ 0 0 0 -721,-0.3 4,-2.3 2,-0.2 5,-0.2 0.923 123.6 53.1 -59.0 -43.8 41.5 8.5 122.0 873 96 F K H > S+ 0 0 63 -722,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.924 108.9 49.6 -55.6 -45.4 41.8 9.8 125.6 874 97 F Q H > S+ 0 0 86 -723,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.868 108.1 53.2 -62.1 -39.5 45.6 9.4 125.3 875 98 F M H X S+ 0 0 3 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.929 111.4 45.9 -59.3 -47.0 45.7 11.3 122.0 876 99 F I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.912 113.0 49.6 -64.7 -43.3 43.8 14.2 123.5 877 100 F E H X S+ 0 0 87 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.905 112.3 48.2 -61.7 -42.7 46.0 14.2 126.6 878 101 F E H X S+ 0 0 38 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.916 110.9 50.7 -63.5 -46.2 49.1 14.2 124.4 879 102 F A H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.920 110.2 49.7 -59.0 -45.8 47.8 17.0 122.2 880 103 F I H X S+ 0 0 14 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.939 110.7 49.7 -59.2 -48.8 47.0 19.2 125.3 881 104 F A H X S+ 0 0 55 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 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0.908 112.7 49.9 -64.2 -42.8 44.1 62.2 81.2 951 19 G Q H X S+ 0 0 0 -4,-2.9 4,-2.0 -5,-0.2 -2,-0.2 0.945 112.1 47.3 -60.1 -49.4 46.1 59.7 83.3 952 20 G A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.879 110.2 53.6 -60.5 -40.8 47.4 62.5 85.6 953 21 G N H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.877 106.5 52.4 -59.6 -39.7 43.9 63.9 85.9 954 22 G A H X S+ 0 0 3 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.912 110.3 48.5 -63.3 -42.1 42.6 60.4 87.0 955 23 G V H X S+ 0 0 4 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.944 115.7 42.4 -62.0 -50.2 45.3 60.3 89.7 956 24 G V H X S+ 0 0 2 -4,-2.5 4,-2.7 2,-0.2 65,-0.3 0.907 114.3 51.3 -65.5 -41.0 44.6 63.8 91.0 957 25 G M H X S+ 0 0 1 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.899 110.5 49.9 -62.4 -41.5 40.8 63.3 90.8 958 26 G Y H X S+ 0 0 14 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.945 111.0 47.5 -61.7 -49.3 41.2 60.0 92.8 959 27 G L H X S+ 0 0 18 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.883 109.9 54.2 -61.9 -38.3 43.2 61.7 95.5 960 28 G N H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.924 107.2 51.2 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