==== 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 METAL TRANSPORT 02-JUL-01 1JIG . COMPND 2 MOLECULE: DLP-2; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR E.PAPINUTTO,W.G.DUNDON,N.PITULIS,R.BATTISTUTTA,C.MONTECUCCO, . 584 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25365.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 461 78.9 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 . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 420 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 12 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 2 A S 0 0 63 0, 0.0 2,-0.2 0, 0.0 114,-0.0 0.000 360.0 360.0 360.0 146.8 -7.9 12.1 -44.7 2 3 A T > - 0 0 78 1,-0.1 4,-1.7 117,-0.0 3,-0.4 -0.736 360.0-105.8-116.4 168.1 -7.2 15.5 -43.0 3 4 A K H > S+ 0 0 96 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.863 123.1 56.5 -60.3 -34.8 -6.6 16.4 -39.4 4 5 A T H > S+ 0 0 62 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.854 102.2 54.2 -65.5 -35.8 -10.1 17.9 -39.4 5 6 A N H > S+ 0 0 72 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.900 110.8 46.7 -63.6 -41.8 -11.6 14.5 -40.6 6 7 A V H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.887 108.6 54.4 -67.7 -40.3 -9.9 12.9 -37.6 7 8 A V H X S+ 0 0 10 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.899 109.4 49.7 -60.0 -39.3 -11.1 15.7 -35.2 8 9 A E H X S+ 0 0 108 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.939 110.2 48.2 -66.4 -46.0 -14.7 14.9 -36.4 9 10 A V H X S+ 0 0 32 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.906 112.4 50.4 -61.0 -39.3 -14.3 11.2 -35.9 10 11 A L H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.880 108.7 51.8 -65.6 -39.0 -13.0 11.8 -32.4 11 12 A N H X S+ 0 0 15 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.814 102.1 58.5 -69.8 -30.2 -15.8 14.2 -31.6 12 13 A K H X S+ 0 0 63 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.889 109.8 45.3 -65.4 -35.2 -18.5 11.7 -32.6 13 14 A Q H X S+ 0 0 10 -4,-1.2 4,-3.0 2,-0.2 -2,-0.2 0.829 107.5 56.4 -76.9 -31.4 -17.0 9.3 -30.0 14 15 A V H X S+ 0 0 0 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.962 113.0 43.4 -61.1 -47.6 -16.8 12.1 -27.4 15 16 A A H >X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 3,-0.5 0.951 114.1 50.2 -60.9 -50.8 -20.5 12.5 -28.0 16 17 A N H 3X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.910 110.7 48.5 -55.8 -46.2 -21.2 8.7 -28.0 17 18 A W H 3X S+ 0 0 5 -4,-3.0 4,-1.5 2,-0.2 -1,-0.2 0.746 109.1 52.8 -71.3 -19.8 -19.3 8.1 -24.8 18 19 A N H S- 0 0 8 551,-3.1 3,-1.9 -2,-0.3 4,-0.2 -0.211 96.7 -56.5 102.5 165.4 -33.7 -9.6 -11.1 34 35 A P T 3 S+ 0 0 56 0, 0.0 3,-0.2 0, 0.0 4,-0.2 0.615 134.0 59.6 -57.2 -12.6 -31.5 -12.3 -9.5 35 36 A H T 3> S+ 0 0 83 -3,-0.2 4,-2.1 1,-0.2 5,-0.3 0.007 72.4 112.7-103.8 27.4 -28.6 -10.9 -11.6 36 37 A F H <> S+ 0 0 0 -3,-1.9 4,-3.2 1,-0.2 5,-0.3 0.958 75.0 47.0 -61.2 -54.9 -28.9 -7.5 -10.0 37 38 A F H > S+ 0 0 21 -3,-0.2 4,-1.7 2,-0.2 5,-0.2 0.872 113.7 49.0 -57.4 -41.1 -25.6 -7.6 -8.2 38 39 A T H > S+ 0 0 59 -4,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.981 119.3 35.0 -63.1 -59.7 -23.7 -8.8 -11.2 39 40 A L H X S+ 0 0 4 -4,-2.1 4,-3.6 2,-0.2 5,-0.3 0.901 113.2 58.2 -63.5 -46.2 -25.1 -6.3 -13.7 40 41 A H H X S+ 0 0 17 -4,-3.2 4,-1.1 -5,-0.3 -1,-0.2 0.945 115.7 37.4 -49.7 -51.3 -25.3 -3.4 -11.3 41 42 A E H X S+ 0 0 115 -4,-1.7 4,-2.0 -5,-0.3 3,-0.3 0.935 115.9 52.9 -67.3 -46.4 -21.5 -3.8 -10.6 42 43 A K H X S+ 0 0 76 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.908 108.5 49.6 -55.1 -47.8 -20.7 -4.6 -14.2 43 44 A F H X S+ 0 0 0 -4,-3.6 4,-2.2 1,-0.2 -1,-0.2 0.805 107.3 56.3 -63.9 -29.7 -22.4 -1.5 -15.6 44 45 A E H X S+ 0 0 35 -4,-1.1 4,-1.9 -5,-0.3 -1,-0.2 0.901 106.9 47.9 -69.0 -42.7 -20.6 0.6 -13.0 45 46 A E H X S+ 0 0 111 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.919 111.9 52.3 -62.7 -42.5 -17.2 -0.6 -14.3 46 47 A F H X S+ 0 0 6 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.890 108.9 47.5 -60.2 -43.6 -18.5 0.1 -17.8 47 48 A Y H X S+ 0 0 23 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.843 107.8 57.7 -68.5 -32.4 -19.5 3.7 -17.0 48 49 A N H X S+ 0 0 63 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.907 109.0 45.0 -62.5 -41.9 -16.1 4.2 -15.3 49 50 A E H X S+ 0 0 40 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.905 108.8 57.2 -68.7 -40.9 -14.4 3.3 -18.5 50 51 A A H X S+ 0 0 3 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.915 106.5 50.1 -55.8 -43.2 -16.8 5.5 -20.5 51 52 A G H X S+ 0 0 5 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.887 109.5 49.1 -63.9 -41.0 -15.7 8.5 -18.3 52 53 A T H X S+ 0 0 66 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.917 110.4 53.8 -65.2 -39.3 -12.0 7.8 -18.9 53 54 A Y H X S+ 0 0 19 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.880 102.0 55.8 -63.0 -39.2 -12.6 7.6 -22.6 54 55 A I H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.934 111.5 43.6 -61.4 -43.5 -14.4 11.0 -22.8 55 56 A D H X S+ 0 0 11 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.888 114.1 50.7 -68.8 -38.4 -11.4 12.8 -21.3 56 57 A E H X S+ 0 0 81 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.953 113.2 43.8 -63.5 -52.5 -8.9 10.8 -23.4 57 58 A L H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 3,-0.3 0.923 115.2 49.0 -59.9 -46.8 -10.6 11.5 -26.7 58 59 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.906 110.1 51.1 -62.1 -41.1 -11.3 15.1 -25.9 59 60 A E H X S+ 0 0 59 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.763 106.9 54.0 -70.5 -21.5 -7.7 15.7 -24.9 60 61 A R H X S+ 0 0 118 -4,-1.4 4,-1.5 -3,-0.3 -1,-0.2 0.864 106.2 52.6 -77.7 -34.6 -6.4 14.2 -28.1 61 62 A I H <>S+ 0 0 0 -4,-1.8 5,-3.3 2,-0.2 -2,-0.2 0.892 109.4 48.8 -67.0 -35.2 -8.6 16.6 -30.1 62 63 A L H ><5S+ 0 0 54 -4,-1.8 3,-2.4 1,-0.2 -1,-0.2 0.918 105.9 58.6 -66.0 -40.6 -7.0 19.5 -28.1 63 64 A A H 3<5S+ 0 0 67 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.836 107.0 47.0 -56.8 -34.3 -3.6 17.9 -28.9 64 65 A L T 3<5S- 0 0 34 -4,-1.5 -1,-0.3 -3,-0.1 -2,-0.2 0.194 123.7-105.2 -95.1 19.9 -4.4 18.3 -32.6 65 66 A E T < 5S+ 0 0 133 -3,-2.4 -3,-0.2 1,-0.2 2,-0.2 0.748 77.5 134.5 67.3 26.5 -5.6 21.9 -32.1 66 67 A G < - 0 0 9 -5,-3.3 -1,-0.2 -6,-0.2 -62,-0.0 -0.501 59.9-111.7-102.1 173.8 -9.3 21.0 -32.4 67 68 A K - 0 0 155 -2,-0.2 2,-0.2 -5,-0.0 -5,-0.0 -0.904 28.7-143.6-105.7 112.7 -12.4 21.9 -30.4 68 69 A P - 0 0 1 0, 0.0 2,-0.1 0, 0.0 -10,-0.1 -0.542 28.7-104.7 -76.5 140.7 -13.9 19.0 -28.4 69 70 A L + 0 0 39 -2,-0.2 -11,-0.0 1,-0.1 3,-0.0 -0.442 46.0 174.1 -60.2 132.9 -17.7 18.9 -28.2 70 71 A A + 0 0 6 -2,-0.1 2,-0.3 161,-0.1 161,-0.3 -0.014 40.8 78.8-138.6 35.8 -18.5 20.1 -24.7 71 72 A T > - 0 0 24 1,-0.1 4,-1.8 159,-0.1 3,-0.1 -0.991 69.3-131.7-140.9 148.8 -22.3 20.5 -24.3 72 73 A M H > S+ 0 0 1 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.872 109.6 59.8 -64.2 -38.1 -25.0 18.0 -23.7 73 74 A K H > S+ 0 0 145 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.882 108.4 45.0 -58.0 -39.2 -27.0 19.7 -26.4 74 75 A E H > S+ 0 0 85 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.839 109.2 54.2 -75.5 -34.6 -24.2 18.9 -28.9 75 76 A Y H >X S+ 0 0 0 -4,-1.8 4,-3.4 1,-0.2 3,-0.5 0.927 110.5 47.5 -64.3 -43.7 -23.8 15.3 -27.7 76 77 A L H 3< S+ 0 0 60 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.837 112.9 48.4 -65.7 -33.4 -27.4 14.6 -28.3 77 78 A A H 3< S+ 0 0 76 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.627 123.4 33.1 -82.5 -12.3 -27.3 16.2 -31.7 78 79 A T H << S+ 0 0 44 -4,-0.9 -2,-0.2 -3,-0.5 -3,-0.2 0.766 91.5 94.3-112.9 -36.5 -24.2 14.2 -32.6 79 80 A S < - 0 0 23 -4,-3.4 -66,-0.1 -5,-0.2 -67,-0.1 -0.204 53.8-153.9 -63.9 151.4 -24.2 10.8 -30.9 80 81 A S + 0 0 63 -68,-0.2 2,-0.5 2,-0.1 -1,-0.1 0.316 66.6 102.0-103.9 3.7 -25.5 7.7 -32.8 81 82 A V S S- 0 0 13 22,-0.0 2,-0.2 23,-0.0 -2,-0.1 -0.779 70.4-131.7 -95.6 130.1 -26.4 6.0 -29.5 82 83 A N - 0 0 98 -2,-0.5 3,-0.1 1,-0.1 -2,-0.1 -0.551 28.1-115.1 -76.7 141.3 -30.0 5.9 -28.4 83 84 A E - 0 0 40 -2,-0.2 135,-0.1 1,-0.1 -1,-0.1 -0.364 38.9 -86.0 -75.9 158.5 -30.6 6.8 -24.8 84 85 A G - 0 0 3 133,-0.3 -1,-0.1 1,-0.1 133,-0.1 -0.295 25.8-154.6 -61.6 145.8 -31.9 4.4 -22.2 85 86 A T - 0 0 93 -3,-0.1 -1,-0.1 -62,-0.0 133,-0.1 0.573 27.1-138.0 -97.2 -11.7 -35.7 4.1 -22.0 86 87 A S S S+ 0 0 45 131,-0.1 3,-0.1 1,-0.1 131,-0.0 0.980 83.0 83.8 48.0 74.8 -35.5 2.9 -18.4 87 88 A K + 0 0 182 2,-0.1 -1,-0.1 1,-0.0 2,-0.0 0.182 60.5 112.5-172.7 -16.4 -38.1 0.2 -18.8 88 89 A E - 0 0 33 1,-0.1 -1,-0.0 2,-0.1 2,-0.0 -0.300 65.1-114.7 -74.2 155.7 -36.1 -2.7 -20.2 89 90 A S > - 0 0 49 1,-0.1 4,-2.3 -58,-0.1 5,-0.2 -0.236 37.0 -95.8 -78.8 174.1 -35.4 -6.0 -18.4 90 91 A A H > S+ 0 0 20 -58,-0.2 4,-2.0 1,-0.2 5,-0.2 0.890 128.8 52.3 -57.8 -39.8 -31.9 -7.1 -17.3 91 92 A E H > S+ 0 0 106 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.905 108.2 49.0 -61.4 -47.1 -31.9 -9.1 -20.6 92 93 A E H > S+ 0 0 92 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.875 109.0 53.7 -62.5 -40.4 -32.8 -6.2 -22.7 93 94 A M H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.937 111.4 44.1 -61.8 -47.3 -30.1 -4.0 -21.1 94 95 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.931 115.4 47.7 -64.8 -44.8 -27.4 -6.5 -21.8 95 96 A Q H X S+ 0 0 82 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.893 111.1 52.1 -61.9 -40.4 -28.6 -7.1 -25.4 96 97 A T H X S+ 0 0 26 -4,-2.7 4,-3.1 1,-0.2 -1,-0.2 0.901 109.8 49.0 -62.4 -41.6 -28.9 -3.4 -25.9 97 98 A L H X S+ 0 0 0 -4,-2.1 4,-3.5 2,-0.2 5,-0.3 0.874 108.3 52.4 -67.1 -38.2 -25.3 -3.0 -24.7 98 99 A V H X S+ 0 0 12 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.944 114.1 45.2 -61.4 -44.3 -24.1 -5.7 -27.0 99 100 A N H X S+ 0 0 99 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.923 115.5 46.0 -63.9 -45.9 -25.8 -3.8 -29.8 100 101 A D H X S+ 0 0 14 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.942 115.7 44.8 -64.3 -48.0 -24.4 -0.5 -28.7 101 102 A Y H X S+ 0 0 8 -4,-3.5 4,-2.6 1,-0.2 -2,-0.2 0.920 112.2 53.9 -62.2 -42.1 -20.9 -1.7 -28.3 102 103 A S H X S+ 0 0 50 -4,-2.7 4,-1.8 -5,-0.3 -1,-0.2 0.896 109.9 46.3 -57.9 -44.2 -21.1 -3.6 -31.6 103 104 A A H X S+ 0 0 50 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.905 112.2 50.5 -66.0 -41.3 -22.2 -0.4 -33.4 104 105 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.877 105.9 56.8 -64.6 -37.3 -19.4 1.5 -31.7 105 106 A I H X S+ 0 0 8 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.926 107.8 47.6 -58.1 -44.8 -17.0 -1.2 -32.8 106 107 A Q H X S+ 0 0 115 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.858 111.9 49.9 -64.5 -36.0 -18.0 -0.6 -36.4 107 108 A E H X S+ 0 0 42 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.900 109.4 51.6 -68.8 -42.0 -17.6 3.2 -35.9 108 109 A L H X S+ 0 0 1 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.901 105.9 55.2 -61.6 -42.8 -14.1 2.7 -34.4 109 110 A K H X S+ 0 0 82 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.934 113.6 40.3 -55.9 -48.9 -13.1 0.5 -37.4 110 111 A E H X S+ 0 0 112 -4,-1.7 4,-2.2 1,-0.2 3,-0.5 0.922 113.4 55.3 -66.0 -43.1 -14.0 3.3 -39.8 111 112 A G H X S+ 0 0 7 -4,-3.0 4,-2.1 1,-0.3 -2,-0.2 0.844 106.1 51.1 -58.4 -36.1 -12.6 5.9 -37.5 112 113 A M H X S+ 0 0 46 -4,-2.7 4,-2.0 2,-0.2 -1,-0.3 0.801 106.1 56.0 -72.2 -26.9 -9.3 4.1 -37.5 113 114 A E H X S+ 0 0 116 -4,-1.2 4,-2.5 -3,-0.5 -2,-0.2 0.954 109.0 47.0 -65.4 -50.5 -9.4 4.1 -41.3 114 115 A V H X S+ 0 0 37 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.903 112.2 48.0 -58.2 -47.8 -9.7 7.9 -41.3 115 116 A A H ><>S+ 0 0 0 -4,-2.1 5,-3.1 1,-0.2 3,-0.7 0.898 112.5 50.7 -62.3 -40.6 -6.9 8.4 -38.8 116 117 A G H ><5S+ 0 0 47 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.902 108.6 49.9 -64.1 -41.9 -4.6 6.1 -40.8 117 118 A E H 3<5S+ 0 0 141 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.583 109.7 53.0 -73.7 -8.8 -5.3 7.8 -44.1 118 119 A A T <<5S- 0 0 35 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.372 117.6-113.8-102.1 -0.8 -4.5 11.1 -42.4 119 120 A G T < 5S+ 0 0 70 -3,-1.3 2,-0.8 -4,-0.2 -3,-0.2 0.782 70.5 142.5 72.2 29.8 -1.2 9.8 -41.2 120 121 A D >< + 0 0 30 -5,-3.1 4,-1.9 1,-0.2 -1,-0.2 -0.705 16.6 165.4-108.3 82.7 -2.4 10.0 -37.6 121 122 A A H > S+ 0 0 78 -2,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.829 73.0 55.1 -64.8 -37.8 -1.0 6.9 -35.7 122 123 A T H > S+ 0 0 84 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.955 110.5 43.4 -65.1 -49.2 -1.7 8.2 -32.2 123 124 A S H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.915 113.5 53.3 -63.5 -38.6 -5.4 8.8 -32.7 124 125 A A H X S+ 0 0 15 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.928 110.3 47.8 -59.4 -44.1 -5.7 5.5 -34.6 125 126 A D H X S+ 0 0 106 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.854 108.9 52.7 -65.5 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D S H X S+ 0 0 52 -4,-2.6 4,-1.8 -5,-0.3 -1,-0.2 0.897 109.9 46.5 -58.1 -43.8 -37.2 -2.9 6.9 544 104 D A H X S+ 0 0 48 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.905 112.2 50.3 -65.9 -42.0 -38.3 -3.5 10.5 545 105 D L H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.880 106.0 56.9 -64.1 -37.5 -35.0 -2.2 11.8 546 106 D I H X S+ 0 0 7 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.926 107.8 47.7 -58.0 -45.0 -35.4 0.9 9.6 547 107 D Q H X S+ 0 0 112 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.857 111.9 50.0 -64.4 -35.5 -38.7 1.6 11.4 548 108 D E H X S+ 0 0 44 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.902 109.4 51.5 -69.0 -41.9 -37.0 1.1 14.7 549 109 D L H X S+ 0 0 2 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.899 105.9 55.3 -61.9 -42.2 -34.3 3.5 13.8 550 110 D K H X S+ 0 0 71 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.933 113.6 40.3 -56.2 -48.9 -36.8 6.1 12.7 551 111 D E H X S+ 0 0 113 -4,-1.7 4,-2.2 1,-0.2 3,-0.5 0.919 113.4 55.2 -66.2 -42.9 -38.4 6.0 16.2 552 112 D G H X S+ 0 0 7 -4,-3.0 4,-2.1 1,-0.3 -2,-0.2 0.840 106.1 51.2 -58.8 -35.7 -35.0 5.7 17.9 553 113 D M H X S+ 0 0 32 -4,-2.6 4,-2.0 2,-0.2 -1,-0.3 0.796 106.1 56.0 -72.5 -26.3 -33.9 8.9 16.1 554 114 D E H X S+ 0 0 116 -4,-1.1 4,-2.4 -3,-0.5 -2,-0.2 0.951 109.0 46.9 -66.0 -50.5 -37.1 10.6 17.4 555 115 D V H X S+ 0 0 36 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.901 112.2 48.1 -58.5 -47.2 -36.2 9.7 21.0 556 116 D A H ><>S+ 0 0 0 -4,-2.1 5,-3.1 1,-0.2 3,-0.7 0.906 112.4 50.6 -62.5 -41.5 -32.6 10.9 20.7 557 117 D G H ><5S+ 0 0 47 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.901 108.7 49.9 -63.1 -42.1 -33.7 14.1 19.1 558 118 D E H 3<5S+ 0 0 140 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.579 109.7 53.0 -73.9 -8.8 -36.3 14.8 21.8 559 119 D A T <<5S- 0 0 35 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.374 117.5-113.9-102.1 -1.0 -33.5 14.2 24.4 560 120 D G T < 5S+ 0 0 69 -3,-1.2 2,-0.9 -4,-0.2 -3,-0.2 0.783 70.3 142.6 72.1 29.6 -31.2 16.7 22.7 561 121 D D >< + 0 0 30 -5,-3.1 4,-1.9 1,-0.2 -1,-0.2 -0.707 16.6 165.6-107.7 82.8 -28.8 13.9 21.7 562 122 D A H > S+ 0 0 77 -2,-0.9 4,-2.4 1,-0.2 -1,-0.2 0.832 72.9 54.8 -64.7 -38.0 -27.6 14.7 18.2 563 123 D T H > S+ 0 0 84 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.954 110.4 43.7 -65.3 -48.9 -24.6 12.3 18.2 564 124 D S H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.916 113.4 53.3 -63.5 -38.4 -26.7 9.2 19.0 565 125 D A H X S+ 0 0 15 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.925 110.3 47.8 -59.6 -44.1 -29.3 10.4 16.5 566 126 D D H X S+ 0 0 90 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.854 109.0 52.7 -65.7 -38.3 -26.6 10.7 13.8 567 127 D M H X S+ 0 0 20 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.952 111.7 46.0 -62.2 -49.0 -25.2 7.2 14.6 568 128 D L H X S+ 0 0 3 -4,-2.4 4,-2.2 1,-0.2 3,-0.2 0.875 110.3 55.2 -60.2 -39.1 -28.6 5.7 14.2 569 129 D L H X S+ 0 0 14 -4,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.920 100.6 59.0 -60.7 -45.4 -29.1 7.7 11.0 570 130 D A H X S+ 0 0 43 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.845 109.8 42.6 -54.2 -38.5 -25.9 6.3 9.5 571 131 D I H X S+ 0 0 0 -4,-1.2 4,-3.0 -3,-0.2 5,-0.3 0.916 111.2 55.6 -73.5 -43.1 -27.2 2.8 9.8 572 132 D H H X S+ 0 0 10 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.916 105.8 52.6 -53.1 -46.5 -30.7 3.8 8.6 573 133 D T H X S+ 0 0 24 -4,-3.0 4,-1.0 1,-0.2 -1,-0.2 0.899 113.0 43.3 -59.4 -42.1 -29.1 5.2 5.4 574 134 D T H X S+ 0 0 45 -4,-1.2 4,-2.5 -5,-0.2 3,-0.3 0.920 110.8 53.3 -72.8 -42.4 -27.2 2.0 4.7 575 135 D L H X S+ 0 0 2 -4,-3.0 4,-2.9 1,-0.3 -2,-0.2 0.867 105.9 54.4 -60.8 -37.1 -30.2 -0.4 5.5 576 136 D E H X S+ 0 0 39 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.3 0.862 108.6 49.5 -65.7 -32.3 -32.4 1.6 3.1 577 137 D Q H X S+ 0 0 23 -4,-1.0 4,-2.0 -3,-0.3 -2,-0.2 0.927 110.6 50.7 -70.0 -42.5 -29.7 1.0 0.4 578 138 D H H X S+ 0 0 28 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.925 107.0 53.3 -60.1 -45.8 -29.7 -2.7 1.3 579 139 D V H X S+ 0 0 17 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.893 108.2 50.0 -59.5 -40.2 -33.4 -3.0 1.0 580 140 D W H X S+ 0 0 24 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.956 114.2 43.7 -62.2 -51.7 -33.5 -1.5 -2.5 581 141 D M H X S+ 0 0 27 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.928 116.6 46.4 -60.0 -46.2 -30.8 -3.8 -3.8 582 142 D L H X S+ 0 0 0 -4,-2.9 4,-1.4 2,-0.2 -1,-0.2 0.868 114.1 47.4 -66.4 -36.7 -32.3 -6.9 -2.1 583 143 D S H < S+ 0 0 52 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.869 110.7 53.2 -70.8 -36.0 -35.8 -6.1 -3.3 584 144 D A H >< S+ 0 0 8 -4,-2.5 -551,-3.1 -5,-0.2 3,-2.0 0.918 104.6 55.9 -61.7 -45.3 -34.4 -5.5 -6.8 585 145 D F H 3< S+ 0 0 14 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.888 101.7 54.7 -53.2 -44.7 -32.8 -8.9 -6.7 586 146 D L T 3< 0 0 43 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.336 360.0 360.0 -74.3 10.5 -36.2 -10.5 -6.0 587 147 D K < 0 0 188 -3,-2.0 -1,-0.2 -554,-0.1 -2,-0.1 -0.360 360.0 360.0 75.4 360.0 -37.1 -8.7 -9.2