==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-JUL-01 1JOG . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN HI0074; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR C.LEHMANN,K.LIM,O.HERZBERG,STRUCTURE 2 FUNCTION PROJECT . 541 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26602.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 461 85.2 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 . 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 . 15 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 357 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 3 1 1 1 1 2 4 3 1 0 0 0 4 0 0 4 0 0 0 0 0 0 0 0 0 0 4 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 7 A N >> 0 0 102 0, 0.0 4,-1.0 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 -11.9 -8.3 0.4 45.5 2 8 A L H 3> + 0 0 52 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.864 360.0 71.8 -64.7 -31.0 -6.5 3.4 47.2 3 9 A N H 3> S+ 0 0 132 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.861 91.2 54.0 -48.9 -41.5 -5.0 0.5 49.2 4 10 A V H <> S+ 0 0 43 -3,-0.7 4,-3.2 2,-0.2 5,-0.3 0.956 108.8 46.7 -61.0 -50.8 -2.9 -0.7 46.2 5 11 A L H X S+ 0 0 1 -4,-1.0 4,-2.4 1,-0.2 -1,-0.2 0.954 115.9 49.1 -56.0 -43.1 -1.3 2.7 45.7 6 12 A D H X S+ 0 0 60 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.904 114.3 42.5 -65.1 -43.0 -0.8 2.8 49.5 7 13 A A H X S+ 0 0 59 -4,-3.2 4,-2.2 -5,-0.2 -1,-0.2 0.826 112.6 51.8 -77.3 -26.1 0.7 -0.7 49.7 8 14 A A H X S+ 0 0 10 -4,-3.2 4,-2.4 2,-0.2 -2,-0.2 0.942 112.5 48.6 -72.1 -46.1 3.0 -0.3 46.5 9 15 A F H X S+ 0 0 16 -4,-2.4 4,-2.9 -5,-0.3 -2,-0.2 0.918 113.8 44.3 -52.4 -54.5 4.3 3.0 48.0 10 16 A Y H X S+ 0 0 100 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.888 112.0 52.6 -64.1 -40.9 5.0 1.5 51.4 11 17 A S H X S+ 0 0 26 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.889 110.8 48.9 -63.7 -36.8 6.5 -1.6 49.8 12 18 A L H >X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 3,-0.8 0.991 111.6 49.3 -63.8 -53.1 8.8 0.7 47.8 13 19 A E H 3X S+ 0 0 70 -4,-2.9 4,-2.8 1,-0.3 -2,-0.2 0.898 109.9 50.2 -49.8 -47.4 9.7 2.6 50.9 14 20 A Q H 3X S+ 0 0 14 -4,-3.0 4,-1.7 1,-0.2 -1,-0.3 0.854 108.8 53.3 -63.2 -30.1 10.5 -0.5 52.7 15 21 A T H X - 0 0 23 -4,-1.0 4,-3.1 -3,-0.5 3,-0.8 -0.491 59.6-176.3 -65.6 78.4 21.3 -0.5 55.5 22 28 A R H 3> S+ 0 0 181 -2,-2.5 4,-3.4 1,-0.3 5,-0.2 0.869 74.7 55.4 -51.3 -43.1 24.8 -0.3 54.1 23 29 A N H 34 S+ 0 0 127 2,-0.2 4,-0.4 1,-0.2 -1,-0.3 0.857 116.3 37.5 -59.3 -37.5 26.2 -2.8 56.5 24 30 A W H X> S+ 0 0 4 -3,-0.8 4,-0.7 2,-0.1 3,-0.7 0.951 120.4 45.0 -80.9 -50.4 23.7 -5.3 55.4 25 31 A F H 3< S+ 0 0 23 -4,-3.1 3,-0.4 -7,-0.3 -2,-0.2 0.793 107.1 58.9 -62.7 -34.3 23.6 -4.4 51.7 26 32 A D T 3< S+ 0 0 97 -4,-3.4 -1,-0.2 -5,-0.3 -3,-0.1 0.778 105.4 52.0 -68.0 -23.3 27.5 -4.2 51.4 27 33 A X T <4 S+ 0 0 105 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.2 0.732 88.2 99.2 -79.0 -33.1 27.8 -7.9 52.6 28 34 A Q S < S- 0 0 17 -4,-0.7 5,-0.1 -3,-0.4 -3,-0.0 -0.111 86.0 -90.9 -59.5 152.2 25.3 -9.4 50.1 29 35 A P >> - 0 0 50 0, 0.0 4,-2.5 0, 0.0 3,-1.0 -0.312 39.3-106.1 -68.2 156.3 26.5 -11.1 47.0 30 36 A S H 3> S+ 0 0 97 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.852 120.2 49.3 -41.3 -46.6 27.0 -9.0 43.9 31 37 A I H 3> S+ 0 0 13 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.813 109.5 52.7 -73.6 -27.0 23.9 -10.4 42.1 32 38 A V H <> S+ 0 0 1 -3,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.943 106.3 54.9 -70.5 -45.3 21.8 -9.8 45.3 33 39 A Q H X S+ 0 0 55 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.917 115.8 35.3 -56.5 -46.7 22.9 -6.1 45.4 34 40 A D H X S+ 0 0 21 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.741 110.7 58.6 -84.6 -20.2 21.8 -5.3 41.9 35 41 A T H X S+ 0 0 2 -4,-1.6 4,-3.2 1,-0.2 -1,-0.2 0.916 107.7 52.4 -68.6 -35.6 18.7 -7.5 41.7 36 42 A L H X S+ 0 0 3 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.805 110.6 44.3 -66.1 -35.9 17.6 -5.4 44.6 37 43 A I H X S+ 0 0 8 -4,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.865 112.4 53.0 -75.2 -40.0 18.2 -2.2 42.8 38 44 A A H X S+ 0 0 6 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.958 112.8 46.3 -54.7 -48.2 16.5 -3.7 39.7 39 45 A G H X S+ 0 0 0 -4,-3.2 4,-1.8 1,-0.2 -2,-0.2 0.849 108.4 52.5 -64.3 -41.5 13.6 -4.5 42.0 40 46 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.854 110.0 51.5 -62.6 -35.2 13.4 -1.1 43.7 41 47 A I H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.899 108.8 49.7 -70.1 -37.7 13.3 0.4 40.2 42 48 A Q H X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.864 111.2 49.9 -64.7 -38.3 10.4 -1.9 39.2 43 49 A K H X S+ 0 0 8 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.838 105.2 56.4 -72.8 -34.3 8.7 -0.8 42.3 44 50 A F H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.910 105.2 53.0 -62.0 -38.8 9.3 2.8 41.5 45 51 A E H X S+ 0 0 7 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.907 105.6 55.2 -63.9 -41.4 7.5 2.2 38.2 46 52 A F H X S+ 0 0 13 -4,-1.5 4,-2.7 2,-0.2 5,-0.3 0.952 110.3 43.2 -59.6 -50.7 4.5 0.7 40.1 47 53 A V H X S+ 0 0 1 -4,-1.8 4,-3.7 1,-0.2 5,-0.2 0.922 113.6 52.1 -61.8 -41.5 3.9 3.8 42.3 48 54 A Y H X S+ 0 0 12 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.960 114.4 41.7 -54.3 -60.7 4.4 6.2 39.4 49 55 A E H X S+ 0 0 49 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.963 119.3 44.4 -52.2 -53.2 1.9 4.4 37.2 50 56 A L H X S+ 0 0 9 -4,-2.7 4,-3.1 1,-0.3 5,-0.2 0.903 109.8 56.3 -62.2 -43.1 -0.6 3.9 40.1 51 57 A S H X S+ 0 0 1 -4,-3.7 4,-1.9 -5,-0.3 -1,-0.3 0.916 111.9 43.5 -57.9 -40.7 -0.1 7.4 41.3 52 58 A L H X S+ 0 0 21 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.845 109.5 55.2 -75.2 -28.3 -1.1 8.6 37.8 53 59 A K H X S+ 0 0 96 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.951 110.2 48.5 -66.3 -40.1 -4.0 6.1 37.6 54 60 A X H X S+ 0 0 14 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.864 107.8 51.1 -67.5 -40.0 -5.3 7.7 40.9 55 61 A X H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.910 114.0 49.3 -62.5 -36.9 -5.0 11.2 39.8 56 62 A K H X S+ 0 0 77 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.982 111.6 44.0 -66.8 -55.1 -6.9 10.1 36.7 57 63 A R H X S+ 0 0 85 -4,-3.0 4,-1.5 1,-0.2 5,-0.3 0.845 112.1 57.1 -59.3 -28.6 -9.7 8.3 38.6 58 64 A Q H X S+ 0 0 62 -4,-2.3 4,-2.1 -5,-0.2 3,-0.3 0.956 113.2 36.8 -67.1 -49.2 -9.8 11.3 40.9 59 65 A L H X>S+ 0 0 5 -4,-2.1 5,-0.9 1,-0.2 4,-0.8 0.779 115.6 57.0 -70.6 -29.5 -10.5 13.8 38.2 60 66 A Q H <5S+ 0 0 52 -4,-2.8 6,-0.5 -5,-0.2 -1,-0.2 0.730 120.6 27.4 -73.3 -29.3 -12.7 11.2 36.3 61 67 A Q H <5S+ 0 0 139 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.629 110.6 77.4-103.4 -26.9 -15.0 10.8 39.3 62 68 A D H <5S- 0 0 78 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.1 0.946 121.8 -24.2 -57.4 -71.4 -14.5 14.2 40.8 63 69 A A T <5S+ 0 0 74 -4,-0.8 -1,-0.1 -5,-0.1 -3,-0.1 0.640 108.9 109.3-114.2 -28.9 -16.4 16.8 39.0 64 70 A I < - 0 0 29 -5,-0.9 2,-1.8 1,-0.2 4,-0.0 -0.128 66.6-142.0 -55.4 128.5 -16.6 15.0 35.7 65 71 A N S S- 0 0 146 1,-0.1 -1,-0.2 3,-0.0 3,-0.2 -0.412 74.4 -79.9 -85.3 53.0 -20.0 13.6 34.5 66 72 A T - 0 0 106 -2,-1.8 2,-1.7 -6,-0.5 -1,-0.1 0.887 65.7-175.8 36.8 65.1 -17.7 10.9 33.3 67 73 A D - 0 0 100 -7,-0.1 3,-0.3 1,-0.1 4,-0.3 -0.551 50.9 -99.7 -84.3 65.9 -16.6 12.8 30.2 68 74 A D > - 0 0 133 -2,-1.7 2,-3.7 1,-0.2 3,-1.3 0.642 36.0-145.5 10.6 80.6 -14.4 9.8 28.9 69 75 A I T 3 S+ 0 0 3 1,-0.3 -1,-0.2 2,-0.1 -9,-0.1 -0.372 74.4 106.2 -68.1 71.3 -11.2 11.4 30.2 70 76 A G T 3 + 0 0 44 -2,-3.7 -1,-0.3 -3,-0.3 -2,-0.1 0.563 61.7 70.3-114.8 -37.0 -9.5 9.9 27.2 71 77 A A S < S+ 0 0 97 -3,-1.3 2,-0.5 -4,-0.3 -2,-0.1 0.751 90.5 93.0 -53.0 -17.2 -9.2 13.2 25.5 72 78 A Y - 0 0 68 -4,-0.2 2,-0.2 4,-0.1 -1,-0.1 -0.693 56.6-176.4 -89.1 121.8 -6.7 13.6 28.4 73 79 A G >> - 0 0 39 -2,-0.5 4,-2.1 1,-0.0 3,-1.4 -0.449 50.7 -73.1-100.9 177.9 -3.0 12.8 28.1 74 80 A F H 3> S+ 0 0 29 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.836 128.6 46.3 -30.8 -65.0 -0.3 12.9 30.7 75 81 A K H 3> S+ 0 0 85 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.671 108.9 53.1 -61.0 -23.8 -0.1 16.7 31.0 76 82 A D H <> S+ 0 0 54 -3,-1.4 4,-3.4 2,-0.2 5,-0.3 0.928 109.4 50.3 -76.6 -45.9 -3.8 17.3 31.2 77 83 A I H X S+ 0 0 8 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.919 113.4 46.3 -55.7 -46.2 -4.0 14.9 34.1 78 84 A L H X S+ 0 0 0 -4,-2.1 4,-1.7 -5,-0.3 -1,-0.2 0.942 112.7 49.4 -66.3 -47.4 -1.0 16.7 35.7 79 85 A R H X S+ 0 0 117 -4,-2.5 4,-2.4 2,-0.2 3,-0.3 0.943 113.9 45.2 -54.9 -48.4 -2.6 20.1 35.1 80 86 A E H X S+ 0 0 34 -4,-3.4 4,-1.6 1,-0.2 -2,-0.2 0.950 109.5 55.3 -60.4 -46.5 -6.0 19.0 36.6 81 87 A A H <>S+ 0 0 0 -4,-2.9 5,-3.6 -5,-0.3 6,-0.6 0.822 109.0 47.9 -52.9 -37.1 -4.3 17.3 39.5 82 88 A L H ><5S+ 0 0 77 -4,-1.7 3,-3.2 -3,-0.3 -1,-0.2 0.921 105.5 58.2 -69.6 -46.3 -2.6 20.7 40.3 83 89 A R H 3<5S+ 0 0 201 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.800 112.4 42.9 -52.2 -30.0 -6.1 22.4 39.9 84 90 A F T 3<5S- 0 0 66 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.362 112.6-121.0-101.2 7.2 -7.0 20.1 42.7 85 91 A G T < 5S+ 0 0 33 -3,-3.2 -3,-0.2 -5,-0.2 -2,-0.1 0.856 73.4 132.5 59.7 30.2 -3.9 20.6 44.7 86 92 A L S - 0 0 55 1,-0.1 4,-0.6 36,-0.1 -1,-0.3 -0.959 53.7-176.5-139.6 117.1 4.8 20.8 41.3 90 96 A X H > S+ 0 0 43 -2,-0.4 4,-2.6 2,-0.2 5,-0.2 0.667 78.2 74.5 -88.0 -14.1 4.2 19.2 37.9 91 97 A S H > S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.929 99.0 51.7 -64.6 -33.7 7.8 19.8 36.6 92 98 A K H > S+ 0 0 54 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.905 108.7 45.7 -65.6 -44.7 8.6 17.0 38.9 93 99 A W H X S+ 0 0 0 -4,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.882 110.6 56.1 -69.0 -30.0 6.0 14.5 37.7 94 100 A V H X S+ 0 0 27 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.921 109.8 45.0 -64.8 -39.0 7.1 15.5 34.2 95 101 A A H X S+ 0 0 45 -4,-1.9 4,-2.9 -5,-0.2 -2,-0.2 0.880 106.1 60.2 -71.9 -37.1 10.6 14.4 35.2 96 102 A Y H X S+ 0 0 5 -4,-2.7 4,-3.4 1,-0.2 -2,-0.2 0.880 106.0 49.0 -60.2 -32.5 9.2 11.2 36.9 97 103 A R H X S+ 0 0 77 -4,-1.9 4,-3.5 2,-0.2 -1,-0.2 0.943 108.3 50.7 -70.2 -47.8 7.9 10.2 33.5 98 104 A D H < S+ 0 0 92 -4,-1.7 4,-0.3 2,-0.2 -2,-0.2 0.975 114.6 47.3 -53.4 -44.2 11.2 10.9 31.6 99 105 A X H >X S+ 0 0 2 -4,-2.9 3,-2.5 1,-0.2 4,-0.9 0.983 112.0 49.3 -58.1 -54.8 12.7 8.7 34.4 100 106 A R H >< S+ 0 0 48 -4,-3.4 3,-1.1 1,-0.3 4,-0.3 0.883 105.9 56.6 -53.9 -41.7 10.0 6.1 33.8 101 107 A N T 3< S+ 0 0 96 -4,-3.5 -1,-0.3 1,-0.2 -2,-0.2 0.329 109.4 46.2 -70.6 0.0 10.6 6.1 30.0 102 108 A I T X4 S+ 0 0 74 -3,-2.5 3,-2.5 -4,-0.3 -1,-0.2 0.381 81.5 92.6-118.3 -3.3 14.3 5.2 30.5 103 109 A T G X< S+ 0 0 3 -3,-1.1 3,-1.5 -4,-0.9 -2,-0.1 0.761 75.9 69.5 -61.5 -20.5 13.9 2.4 33.1 104 110 A S G 3 S+ 0 0 50 -4,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.616 96.5 54.9 -69.6 -10.0 13.8 0.0 30.1 105 111 A H G X S+ 0 0 59 -3,-2.5 3,-1.7 1,-0.2 -1,-0.3 0.443 75.8 106.1 -97.9 0.5 17.5 1.0 29.7 106 112 A T T < + 0 0 3 -3,-1.5 6,-0.2 1,-0.3 -1,-0.2 0.484 51.4 86.9 -60.4 -4.0 18.1 -0.1 33.3 107 113 A Y T 3 S+ 0 0 71 -3,-0.3 2,-0.7 4,-0.1 -1,-0.3 0.561 75.0 81.9 -71.6 -8.6 20.0 -3.3 32.3 108 114 A D S X> S- 0 0 74 -3,-1.7 4,-2.5 1,-0.1 3,-0.7 -0.911 85.2-142.2 -96.7 114.6 23.0 -1.0 32.1 109 115 A Q H 3> S+ 0 0 74 -2,-0.7 4,-1.4 1,-0.2 -1,-0.1 0.754 96.2 51.2 -48.2 -35.0 24.2 -0.8 35.8 110 116 A E H 3> S+ 0 0 139 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.863 109.7 47.9 -73.9 -40.7 25.1 2.9 35.6 111 117 A K H <> S+ 0 0 97 -3,-0.7 4,-2.1 1,-0.2 -2,-0.2 0.928 112.1 53.0 -67.8 -35.3 21.8 4.0 34.2 112 118 A A H X S+ 0 0 1 -4,-2.5 4,-1.8 -6,-0.2 -2,-0.2 0.801 108.1 48.1 -64.5 -36.3 20.2 1.9 36.9 113 119 A X H X S+ 0 0 83 -4,-1.4 4,-2.6 -5,-0.2 -1,-0.2 0.878 110.0 54.1 -70.7 -40.0 22.2 3.7 39.7 114 120 A A H X S+ 0 0 52 -4,-2.0 4,-0.5 1,-0.2 -2,-0.2 0.924 111.4 43.8 -62.8 -40.8 21.3 7.0 38.3 115 121 A V H >< S+ 0 0 2 -4,-2.1 3,-1.0 1,-0.2 4,-0.4 0.907 112.5 52.7 -73.0 -34.7 17.6 6.2 38.3 116 122 A Y H >< S+ 0 0 28 -4,-1.8 3,-2.2 1,-0.3 4,-0.4 0.918 100.5 60.5 -68.7 -38.1 17.8 4.7 41.8 117 123 A A H 3< S+ 0 0 66 -4,-2.6 3,-0.3 1,-0.3 4,-0.3 0.729 100.3 57.4 -57.3 -25.0 19.4 7.7 43.2 118 124 A Q T S+ 0 0 2 -3,-2.2 4,-2.9 -4,-0.4 -1,-0.2 0.820 76.4 61.4 -65.8 -37.3 14.0 7.5 44.3 120 126 A D H > S+ 0 0 94 -4,-0.4 4,-1.5 -3,-0.3 -1,-0.2 0.886 108.9 43.5 -52.2 -48.7 14.3 9.4 47.6 121 127 A D H > S+ 0 0 67 -3,-0.4 4,-2.2 -4,-0.3 5,-0.3 0.924 110.2 56.8 -66.7 -42.5 12.8 12.5 46.0 122 128 A F H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.3 5,-0.4 0.948 104.0 54.2 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4,-1.4 -3,-0.1 3,-0.4 0.739 93.4 76.5 -79.4 -24.8 13.2 -5.3 109.0 475 73 D D H >> S+ 0 0 130 1,-0.2 4,-0.8 2,-0.2 3,-0.5 0.942 85.7 47.9 -53.1 -71.5 13.2 -1.5 109.6 476 74 D D H 34 S+ 0 0 120 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.695 113.2 49.4 -52.9 -23.0 16.7 -0.1 109.4 477 75 D I H >4 S+ 0 0 25 -3,-0.4 3,-1.4 -4,-0.3 -1,-0.2 0.871 110.2 46.3 -82.9 -42.4 17.5 -1.9 106.1 478 76 D G H << S+ 0 0 36 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.525 108.6 67.7 -75.2 -4.4 14.4 -0.9 104.1 479 77 D A T 3< S+ 0 0 68 -4,-0.8 2,-0.3 -5,-0.2 -1,-0.3 0.555 90.4 74.6 -92.9 -15.0 15.3 2.4 105.6 480 78 D Y S < S- 0 0 153 -3,-1.4 5,-0.1 1,-0.1 -3,-0.0 -0.781 76.0-107.0-116.4 161.8 18.5 2.9 103.7 481 79 D G >> - 0 0 34 -2,-0.3 4,-1.7 3,-0.1 3,-0.7 -0.019 45.3 -85.5 -65.3 170.3 19.7 3.9 100.3 482 80 D F H 3> S+ 0 0 29 1,-0.3 4,-2.9 2,-0.2 3,-0.4 0.845 124.4 50.9 -42.7 -56.0 21.3 1.8 97.6 483 81 D K H 3> S+ 0 0 77 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.866 108.7 53.5 -60.1 -33.5 24.8 2.1 98.8 484 82 D D H <> S+ 0 0 43 -3,-0.7 4,-1.9 2,-0.2 -1,-0.3 0.877 110.6 45.0 -69.4 -34.7 23.9 1.1 102.2 485 83 D I H X S+ 0 0 14 -4,-1.7 4,-2.5 -3,-0.4 5,-0.3 0.943 111.1 53.3 -73.4 -44.3 22.2 -2.1 101.1 486 84 D L H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.890 110.4 49.3 -51.6 -40.0 25.0 -2.9 98.8 487 85 D R H X S+ 0 0 113 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.894 111.0 46.8 -66.7 -45.8 27.4 -2.5 101.7 488 86 D E H X S+ 0 0 55 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.768 110.2 55.3 -70.2 -24.3 25.3 -4.7 104.0 489 87 D A H <>S+ 0 0 0 -4,-2.5 5,-2.4 2,-0.2 6,-0.8 0.853 105.6 52.3 -74.3 -36.4 25.1 -7.2 101.1 490 88 D L H ><5S+ 0 0 71 -4,-1.9 3,-2.1 -5,-0.3 -2,-0.2 0.984 108.3 52.4 -61.8 -55.0 28.9 -7.2 100.9 491 89 D R H 3<5S+ 0 0 167 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.933 109.1 44.8 -47.1 -63.4 29.1 -8.0 104.6 492 90 D F T 3<5S- 0 0 95 -4,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.311 119.3-113.0 -69.8 17.7 26.8 -11.0 104.7 493 91 D G T < 5S+ 0 0 29 -3,-2.1 -3,-0.2 2,-0.1 -2,-0.1 0.587 77.1 131.6 65.5 18.5 28.7 -12.1 101.6 494 92 D L S - 0 0 60 1,-0.1 4,-0.8 2,-0.0 3,-0.5 -0.956 56.8-165.8-117.8 117.2 32.4 -6.7 94.4 498 96 D X H > S+ 0 0 39 -2,-0.5 4,-1.7 1,-0.2 5,-0.2 0.768 86.7 69.5 -69.5 -27.0 30.3 -3.7 95.5 499 97 D S H > S+ 0 0 76 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.894 95.7 53.3 -58.4 -42.6 32.0 -1.5 92.9 500 98 D K H > S+ 0 0 52 -3,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.890 105.9 52.7 -63.8 -39.3 30.3 -3.4 90.0 501 99 D W H X S+ 0 0 0 -4,-0.8 4,-2.1 1,-0.2 -1,-0.2 0.885 102.3 56.2 -68.3 -36.2 26.8 -2.9 91.4 502 100 D V H X S+ 0 0 32 -4,-1.7 4,-1.0 1,-0.2 -1,-0.2 0.919 110.3 49.1 -58.9 -37.9 27.1 0.9 91.8 503 101 D A H >X S+ 0 0 35 -4,-1.3 4,-2.1 1,-0.2 3,-0.9 0.946 106.0 54.5 -63.6 -52.5 28.0 0.8 88.1 504 102 D Y H 3X S+ 0 0 3 -4,-2.5 4,-2.0 1,-0.3 -1,-0.2 0.842 103.1 56.9 -51.8 -39.6 25.0 -1.4 87.2 505 103 D R H 3X S+ 0 0 78 -4,-2.1 4,-1.4 2,-0.2 -1,-0.3 0.842 107.6 48.3 -62.7 -34.9 22.6 1.1 88.9 506 104 D D H XX S+ 0 0 82 -4,-1.0 4,-1.2 -3,-0.9 3,-0.6 0.973 109.1 52.7 -66.6 -51.4 23.9 3.9 86.7 507 105 D X H 3< S+ 0 0 3 -4,-2.1 3,-0.3 1,-0.3 -2,-0.2 0.822 108.7 50.8 -48.2 -44.0 23.5 1.7 83.6 508 106 D R H >< S+ 0 0 66 -4,-2.0 3,-1.1 1,-0.2 -1,-0.3 0.831 108.9 51.9 -65.2 -37.2 19.9 1.0 84.6 509 107 D N H << S+ 0 0 101 -4,-1.4 3,-0.2 -3,-0.6 -1,-0.2 0.647 111.6 46.1 -78.8 -13.6 19.3 4.7 84.9 510 108 D I T 3< S+ 0 0 80 -4,-1.2 -1,-0.3 -3,-0.3 3,-0.2 0.018 84.3 90.8-116.0 31.4 20.7 5.4 81.5 511 109 D T S < S+ 0 0 4 -3,-1.1 -1,-0.1 1,-0.2 -2,-0.1 0.160 72.5 76.0-103.4 10.9 18.8 2.7 79.7 512 110 D S S S+ 0 0 56 -3,-0.2 -1,-0.2 1,-0.1 -4,-0.0 -0.529 99.5 41.7-115.5 54.4 16.1 5.2 79.1 513 111 D H S > S+ 0 0 59 -3,-0.2 3,-2.6 3,-0.1 7,-0.2 0.020 80.3 106.4-172.2 -18.2 18.3 6.8 76.4 514 112 D T T 3 + 0 0 4 1,-0.3 6,-0.4 5,-0.1 -2,-0.1 0.602 48.0 97.1 -52.7 -10.3 19.4 3.5 74.9 515 113 D Y T 3 + 0 0 60 -201,-0.1 -1,-0.3 4,-0.1 2,-0.1 0.856 68.1 92.5 -51.3 -25.9 17.0 4.3 72.0 516 114 D D S <> S- 0 0 45 -3,-2.6 4,-1.8 1,-0.1 -3,-0.1 -0.382 79.4-142.1 -66.7 141.0 20.4 5.4 70.6 517 115 D Q T 4 S+ 0 0 95 2,-0.2 -1,-0.1 1,-0.2 -2,-0.1 0.160 101.2 46.3 -93.0 20.4 22.2 2.7 68.6 518 116 D E T > S+ 0 0 154 2,-0.1 4,-0.9 3,-0.1 -1,-0.2 0.604 112.7 46.6-120.7 -49.6 25.6 3.8 70.0 519 117 D K H >> S+ 0 0 78 1,-0.2 3,-3.1 2,-0.2 4,-0.8 0.984 104.2 62.8 -57.3 -59.6 24.5 4.0 73.6 520 118 D A H 3X S+ 0 0 9 -4,-1.8 4,-2.3 -6,-0.4 -1,-0.2 0.829 104.1 50.0 -33.4 -44.7 22.9 0.7 73.3 521 119 D X H 3> S+ 0 0 91 2,-0.2 4,-1.0 3,-0.2 -1,-0.3 0.762 103.6 59.3 -68.6 -28.5 26.4 -0.6 72.6 522 120 D A H XX S+ 0 0 51 -3,-3.1 3,-2.3 -4,-0.9 4,-0.7 0.971 112.7 37.1 -58.6 -77.7 27.8 1.1 75.7 523 121 D V H >< S+ 0 0 3 -4,-0.8 3,-0.7 1,-0.3 -2,-0.2 0.746 111.1 57.5 -40.9 -45.8 25.4 -0.8 78.0 524 122 D Y H >< S+ 0 0 31 -4,-2.3 3,-1.2 -5,-0.3 4,-0.4 0.775 98.7 65.4 -65.4 -22.0 25.5 -4.2 76.1 525 123 D A H X< S+ 0 0 69 -3,-2.3 3,-0.7 -4,-1.0 4,-0.3 0.884 99.1 50.5 -65.4 -38.6 29.3 -4.1 76.6 526 124 D Q T S+ 0 0 1 -3,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.850 77.8 58.2 -80.1 -27.3 26.5 -7.3 80.2 528 126 D D H <4 S+ 0 0 113 -3,-0.7 4,-0.3 -4,-0.4 -1,-0.2 0.839 111.2 43.3 -66.8 -30.5 29.2 -10.1 80.3 529 127 D D H >> S+ 0 0 59 -4,-0.3 3,-2.1 2,-0.2 4,-1.7 0.924 109.3 56.7 -78.7 -46.2 30.5 -8.8 83.6 530 128 D F H 3X S+ 0 0 0 -4,-1.7 4,-3.1 1,-0.3 5,-0.4 0.905 101.5 58.2 -50.4 -44.9 26.9 -8.3 85.0 531 129 D L H 3< S+ 0 0 16 -4,-2.1 4,-0.5 1,-0.2 -1,-0.3 0.767 104.1 52.9 -58.1 -25.1 26.2 -11.9 84.3 532 130 D I H <> S+ 0 0 101 -3,-2.1 4,-2.6 -4,-0.3 3,-0.4 0.976 115.8 36.1 -77.5 -52.6 29.1 -12.9 86.5 533 131 D E H X S+ 0 0 21 -4,-1.7 4,-2.8 1,-0.2 5,-0.2 0.955 114.4 53.4 -63.3 -53.1 28.0 -10.9 89.6 534 132 D S H X S+ 0 0 1 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.780 112.9 49.0 -57.3 -19.2 24.3 -11.4 89.2 535 133 D S H > S+ 0 0 34 -4,-0.5 4,-2.1 -3,-0.4 -1,-0.2 0.897 106.6 54.0 -80.3 -46.0 25.3 -15.1 89.1 536 134 D F H X S+ 0 0 67 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.930 112.5 44.5 -49.8 -49.2 27.4 -14.8 92.1 537 135 D L H X S+ 0 0 1 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.931 108.7 54.0 -59.9 -52.4 24.4 -13.3 94.0 538 136 D L H X S+ 0 0 7 -4,-1.6 4,-1.8 -5,-0.2 -1,-0.2 0.778 109.6 54.1 -53.2 -31.4 21.8 -15.8 92.8 539 137 D E H X S+ 0 0 97 -4,-2.1 4,-1.5 2,-0.2 3,-0.4 0.979 108.4 43.3 -68.9 -59.6 24.3 -18.3 94.1 540 138 D Q H < S+ 0 0 49 -4,-2.0 4,-0.3 -46,-0.3 -2,-0.2 0.822 115.5 53.2 -56.6 -30.6 24.5 -16.9 97.6 541 139 D L H >< S+ 0 0 5 -4,-2.8 3,-1.2 1,-0.2 -1,-0.2 0.869 101.4 56.5 -74.6 -36.4 20.7 -16.5 97.5 542 140 D R H 3< S+ 0 0 133 -4,-1.8 -1,-0.2 -3,-0.4 -2,-0.2 0.815 96.4 67.7 -63.9 -30.8 20.0 -20.1 96.5 543 141 D Q T 3< 0 0 145 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.632 360.0 360.0 -69.1 -13.6 21.9 -21.3 99.6 544 142 D R < 0 0 204 -3,-1.2 -3,-0.1 -4,-0.3 -2,-0.1 0.351 360.0 360.0-116.1 360.0 19.3 -19.8 102.0