==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 25-OCT-07 3B57 . COMPND 2 MOLECULE: LIN1889 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LISTERIA INNOCUA CLIP11262; . AUTHOR A.P.KUZIN,M.ABASHIDZE,J.SEETHARAMAN,J.BENACH,F.FOROUHAR, . 180 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10601.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 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 . 6 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 58.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.8 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 1 0 2 0 0 1 0 3 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 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 98 0, 0.0 2,-0.9 0, 0.0 72,-0.1 0.000 360.0 360.0 360.0 135.2 70.7 37.0 49.4 2 2 A N > - 0 0 99 1,-0.2 4,-2.7 70,-0.1 3,-0.4 -0.810 360.0-166.9 -97.2 100.2 67.5 39.2 49.5 3 3 A K H > S+ 0 0 94 -2,-0.9 4,-2.6 1,-0.2 5,-0.3 0.904 85.1 53.3 -51.1 -51.7 67.9 41.9 46.9 4 4 A E H > S+ 0 0 158 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.876 114.4 43.6 -55.1 -38.9 65.0 44.0 48.1 5 5 A E H > S+ 0 0 105 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.916 110.6 52.6 -72.9 -45.3 66.5 44.0 51.5 6 6 A I H X S+ 0 0 6 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.906 109.6 50.8 -56.9 -44.8 70.1 44.6 50.5 7 7 A I H X S+ 0 0 15 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.929 109.8 50.1 -59.4 -45.4 69.0 47.6 48.5 8 8 A L H X S+ 0 0 70 -4,-1.5 4,-2.7 -5,-0.3 -2,-0.2 0.897 111.6 48.4 -59.2 -43.5 67.1 49.0 51.5 9 9 A S H X S+ 0 0 36 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.938 111.6 48.0 -62.4 -50.5 70.2 48.5 53.7 10 10 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.915 111.7 52.8 -57.0 -43.5 72.5 50.2 51.3 11 11 A K H X S+ 0 0 58 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.956 111.6 43.3 -58.2 -53.1 70.0 53.0 51.0 12 12 A N H X S+ 0 0 96 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.787 113.0 54.2 -65.2 -27.8 69.8 53.6 54.7 13 13 A W H < S+ 0 0 57 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.942 110.4 43.4 -72.2 -49.4 73.6 53.3 55.1 14 14 A X H >< S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.879 110.0 59.1 -63.6 -36.8 74.4 56.0 52.5 15 15 A H H >< S+ 0 0 95 -4,-2.1 3,-1.4 1,-0.3 2,-0.6 0.932 103.3 50.3 -57.0 -48.7 71.7 58.2 53.9 16 16 A S T 3< S+ 0 0 96 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.1 -0.099 108.6 56.2 -83.5 39.0 73.3 58.2 57.3 17 17 A H T < 0 0 95 -3,-1.3 -1,-0.3 -2,-0.6 -2,-0.2 0.264 360.0 360.0-147.6 3.9 76.6 59.2 55.7 18 18 A F < 0 0 79 -3,-1.4 3,-0.1 -4,-0.2 -1,-0.1 -0.898 360.0 360.0-143.5 360.0 75.6 62.4 53.8 19 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 20 25 A H 0 0 140 0, 0.0 5,-0.1 0, 0.0 96,-0.0 0.000 360.0 360.0 360.0-122.8 76.8 66.7 46.8 21 26 A D > - 0 0 85 -3,-0.1 4,-1.2 1,-0.1 3,-0.5 0.103 360.0 -81.5 -77.4-166.4 74.4 65.8 49.7 22 27 A W H > S+ 0 0 27 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.881 125.4 67.9 -65.3 -38.9 72.2 62.8 50.1 23 28 A S H > S+ 0 0 74 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.853 99.4 51.7 -49.0 -39.2 69.6 64.5 47.8 24 29 A H H >> S+ 0 0 3 -3,-0.5 4,-2.3 2,-0.2 3,-0.6 0.970 109.6 46.2 -64.5 -56.4 72.1 64.0 45.0 25 30 A I H 3X S+ 0 0 1 -4,-1.2 4,-2.4 1,-0.3 3,-0.2 0.965 110.7 51.3 -52.5 -59.4 72.7 60.3 45.4 26 31 A K H 3X S+ 0 0 76 -4,-2.3 4,-2.7 1,-0.2 -1,-0.3 0.793 110.6 52.1 -50.8 -28.2 69.0 59.4 45.8 27 32 A R H X S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 4,-1.4 0.882 106.1 53.1 -58.5 -43.5 66.5 54.8 32.7 36 41 A Q H 3X S+ 0 0 35 -4,-2.2 4,-3.5 1,-0.3 -1,-0.2 0.875 93.6 70.8 -64.0 -36.3 66.8 51.0 33.1 37 42 A S H 3< S+ 0 0 72 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.550 116.4 25.4 -57.8 -5.9 63.1 50.5 32.9 38 43 A K H <4 S+ 0 0 145 -3,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.471 129.6 40.3-133.3 -13.8 63.6 51.4 29.3 39 44 A E H < S- 0 0 55 -4,-1.4 -3,-0.2 1,-0.2 -2,-0.2 0.452 97.0-143.2-114.6 -5.5 67.2 50.5 28.5 40 45 A G < + 0 0 29 -4,-3.5 -1,-0.2 -5,-0.2 -2,-0.2 -0.124 38.5 133.1 74.2-173.8 67.3 47.3 30.4 41 46 A G S S- 0 0 36 -4,-0.1 2,-1.2 58,-0.0 -1,-0.1 -0.401 70.6 -42.9 113.6 169.3 70.2 45.8 32.4 42 47 A D > - 0 0 51 1,-0.2 4,-2.3 -2,-0.1 3,-0.3 -0.589 52.2-164.1 -72.9 97.1 70.7 44.2 35.9 43 48 A L H > S+ 0 0 66 -2,-1.2 4,-3.2 1,-0.2 -1,-0.2 0.837 87.0 50.0 -52.3 -38.8 68.6 46.5 38.0 44 49 A F H > S+ 0 0 10 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.890 110.5 48.7 -69.4 -39.6 70.1 45.2 41.2 45 50 A T H > S+ 0 0 0 -3,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.872 117.3 43.6 -67.0 -34.7 73.6 45.7 39.9 46 51 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.920 107.2 57.5 -73.9 -51.3 72.6 49.2 38.8 47 52 A E H X S+ 0 0 24 -4,-3.2 4,-1.4 1,-0.2 -2,-0.2 0.828 113.0 40.1 -52.9 -38.2 70.7 50.3 41.9 48 53 A L H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 5,-0.2 0.900 111.9 52.7 -82.1 -43.1 73.7 49.7 44.2 49 54 A A H X S+ 0 0 0 -4,-1.4 4,-1.3 -5,-0.2 -2,-0.2 0.936 111.6 50.8 -57.7 -39.0 76.4 51.0 41.9 50 55 A A H < S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.2 4,-0.2 0.901 111.2 46.2 -62.5 -43.4 74.2 54.1 41.8 51 56 A L H < S+ 0 0 0 -4,-1.4 3,-0.2 -5,-0.2 -1,-0.2 0.769 121.8 36.7 -71.7 -26.1 73.9 54.4 45.5 52 57 A F H >< S+ 0 0 0 -4,-2.4 3,-0.9 1,-0.1 4,-0.5 0.432 84.4 101.8-104.3 -1.3 77.7 53.8 46.1 53 58 A H T 3< S+ 0 0 1 -4,-1.3 37,-0.2 1,-0.3 -1,-0.1 0.718 87.4 46.2 -55.6 -19.3 78.9 55.8 43.0 54 59 A D T 3 S+ 0 0 38 -3,-0.2 -1,-0.3 -4,-0.2 3,-0.1 -0.449 89.1 80.2-123.6 58.9 79.7 58.6 45.4 55 60 A Y < + 0 0 33 -3,-0.9 2,-2.4 -2,-0.1 -2,-0.1 0.486 62.7 92.4-131.4 -23.2 81.5 57.0 48.4 56 61 A S 0 0 51 -4,-0.5 -1,-0.0 -3,-0.1 -4,-0.0 -0.399 360.0 360.0 -77.0 64.6 85.0 56.6 46.9 57 62 A D 0 0 156 -2,-2.4 4,-0.1 -3,-0.1 -3,-0.0 -0.593 360.0 360.0-173.2 360.0 86.2 60.0 48.3 58 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 59 70 A Q > 0 0 196 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -10.7 91.2 52.8 48.2 60 71 A E H > + 0 0 162 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.901 360.0 57.2 -70.7 -40.8 90.1 51.8 51.7 61 72 A A H > S+ 0 0 23 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.937 107.2 48.8 -53.6 -49.3 86.6 53.1 51.0 62 73 A T H > S+ 0 0 41 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.926 110.5 49.5 -57.0 -46.9 86.4 50.7 48.0 63 74 A K H X S+ 0 0 131 -4,-1.8 4,-2.0 1,-0.2 -1,-0.3 0.816 107.4 57.1 -64.4 -27.6 87.6 47.9 50.2 64 75 A T H X S+ 0 0 48 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.910 106.5 47.8 -68.7 -42.8 84.9 48.9 52.7 65 76 A L H X S+ 0 0 2 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.965 109.3 52.4 -62.1 -52.3 82.1 48.5 50.2 66 77 A I H X S+ 0 0 46 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.938 111.6 48.7 -49.0 -49.6 83.4 45.1 49.0 67 78 A N H X S+ 0 0 89 -4,-2.0 4,-3.1 1,-0.2 5,-0.3 0.960 109.8 48.9 -53.4 -58.4 83.3 44.1 52.7 68 79 A W H X S+ 0 0 39 -4,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.868 116.3 46.8 -51.7 -36.5 79.8 45.4 53.3 69 80 A X H <>S+ 0 0 0 -4,-3.1 5,-2.0 2,-0.2 -1,-0.2 0.855 109.7 48.8 -77.5 -36.4 78.8 43.5 50.1 70 81 A E H ><5S+ 0 0 109 -4,-3.0 3,-2.7 -5,-0.2 -2,-0.2 0.925 107.8 58.0 -67.5 -40.5 80.5 40.2 50.8 71 82 A T H 3<5S+ 0 0 96 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.759 102.7 53.8 -58.9 -24.9 78.9 40.4 54.2 72 83 A K T 3<5S- 0 0 57 -4,-0.5 -1,-0.3 -5,-0.3 -2,-0.2 0.425 117.9-118.0 -89.1 1.2 75.5 40.6 52.4 73 84 A E T < 5 + 0 0 149 -3,-2.7 -3,-0.2 1,-0.2 -2,-0.1 0.856 52.9 165.4 67.9 35.4 76.5 37.4 50.5 74 85 A I < - 0 0 5 -5,-2.0 -1,-0.2 1,-0.1 5,-0.2 -0.760 49.8-102.1 -84.6 123.2 76.5 39.0 47.1 75 86 A P >> - 0 0 68 0, 0.0 4,-1.7 0, 0.0 3,-1.1 -0.100 28.8-119.1 -40.6 139.7 78.3 36.6 44.7 76 87 A S H 3> S+ 0 0 71 1,-0.3 4,-1.4 2,-0.2 5,-0.1 0.658 113.0 66.9 -61.3 -12.5 81.8 38.0 44.2 77 88 A E H 3> S+ 0 0 96 2,-0.2 4,-1.8 1,-0.1 -1,-0.3 0.898 101.8 43.0 -74.2 -41.2 80.8 38.2 40.5 78 89 A L H <> S+ 0 0 30 -3,-1.1 4,-3.2 2,-0.2 5,-0.3 0.912 110.4 56.0 -69.2 -43.9 78.2 41.0 41.2 79 90 A I H X S+ 0 0 8 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.904 106.3 53.3 -53.8 -42.7 80.6 42.8 43.5 80 91 A K H X S+ 0 0 109 -4,-1.4 4,-2.9 -5,-0.2 -1,-0.2 0.967 112.0 42.6 -58.0 -54.2 83.0 42.9 40.7 81 92 A K H X S+ 0 0 84 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.938 112.5 53.2 -57.5 -51.9 80.5 44.4 38.2 82 93 A I H X S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.911 113.8 43.1 -52.2 -46.1 79.2 46.9 40.8 83 94 A I H X S+ 0 0 22 -4,-2.6 4,-1.7 -5,-0.3 -1,-0.2 0.935 110.3 54.8 -68.2 -43.5 82.7 48.2 41.5 84 95 A R H X S+ 0 0 117 -4,-2.9 4,-1.3 -5,-0.2 -2,-0.2 0.877 109.4 50.7 -54.8 -38.5 83.6 48.2 37.8 85 96 A I H >X S+ 0 0 2 -4,-2.7 4,-0.9 1,-0.2 3,-0.7 0.955 104.2 54.5 -64.2 -53.0 80.6 50.4 37.3 86 97 A I H 3X S+ 0 0 8 -4,-2.1 4,-1.5 1,-0.3 3,-0.4 0.832 107.0 54.8 -51.9 -32.4 81.4 52.9 40.0 87 98 A Q H 3< S+ 0 0 127 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.870 104.0 51.0 -70.7 -38.3 84.8 53.3 38.3 88 99 A S H << S+ 0 0 32 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.583 114.6 48.9 -76.0 -8.1 83.3 54.2 34.9 89 100 A V H < 0 0 21 -4,-0.9 -2,-0.2 -3,-0.4 -3,-0.1 0.897 360.0 360.0 -91.1 -79.0 81.2 56.8 36.7 90 101 A S < 0 0 100 -4,-1.5 -36,-0.1 -37,-0.2 -37,-0.0 0.529 360.0 360.0 -91.8 360.0 83.4 58.9 39.0 91 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 92 111 A A 0 0 136 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 90.2 83.9 48.9 26.2 93 112 A L - 0 0 74 3,-0.0 2,-0.0 4,-0.0 -8,-0.0 -0.977 360.0-139.2-124.8 126.7 80.9 49.8 28.4 94 113 A T > - 0 0 59 -2,-0.4 4,-1.7 1,-0.1 5,-0.1 -0.335 33.3-108.7 -71.8 160.9 78.2 47.5 29.6 95 114 A I H > S+ 0 0 56 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.901 120.5 57.8 -62.4 -36.8 74.7 49.0 29.6 96 115 A E H > S+ 0 0 33 1,-0.3 4,-1.9 2,-0.2 5,-0.3 0.932 107.0 47.6 -57.4 -44.5 74.7 49.0 33.4 97 116 A E H > S+ 0 0 8 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.832 113.6 49.8 -65.9 -29.1 77.8 51.2 33.3 98 117 A K H X S+ 0 0 60 -4,-1.7 4,-2.4 2,-0.2 56,-0.2 0.950 108.6 50.6 -73.4 -49.3 76.1 53.4 30.7 99 118 A I H X S+ 0 0 0 -4,-3.5 4,-3.1 2,-0.2 3,-0.4 0.964 113.2 43.4 -51.6 -63.1 72.9 53.8 32.7 100 119 A V H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.3 -1,-0.2 0.899 115.2 49.1 -52.0 -47.7 74.6 54.9 36.0 101 120 A Q H X S+ 0 0 48 -4,-1.4 4,-2.3 -5,-0.3 -1,-0.3 0.859 112.8 48.7 -61.3 -35.3 77.0 57.1 34.2 102 121 A D H X S+ 0 0 2 -4,-2.4 4,-3.0 -3,-0.4 -2,-0.2 0.906 109.8 51.6 -69.8 -42.4 74.0 58.7 32.3 103 122 A A H X S+ 0 0 0 -4,-3.1 4,-1.0 -5,-0.2 -2,-0.2 0.857 110.8 49.3 -63.5 -34.7 72.1 59.1 35.5 104 123 A D H >< S+ 0 0 27 -4,-2.3 3,-1.4 -5,-0.3 4,-0.3 0.995 112.9 44.3 -66.9 -61.0 75.0 60.9 37.0 105 124 A R H >X S+ 0 0 84 -4,-2.3 3,-2.6 1,-0.3 4,-0.6 0.893 106.9 62.5 -49.1 -45.5 75.6 63.3 34.1 106 125 A L H >< S+ 0 0 1 -4,-3.0 3,-0.8 1,-0.3 -1,-0.3 0.834 99.0 54.8 -51.3 -35.5 71.8 63.9 33.9 107 126 A D T << S+ 0 0 0 -3,-1.4 -1,-0.3 -4,-1.0 -2,-0.2 0.440 99.4 63.8 -80.9 3.6 71.9 65.4 37.5 108 127 A A T <4 S+ 0 0 11 -3,-2.6 -1,-0.2 -4,-0.3 9,-0.2 0.612 103.9 47.0 -98.4 -18.0 74.6 67.9 36.4 109 128 A I S S- 0 0 0 55,-0.2 4,-2.5 2,-0.2 5,-0.2 -0.228 117.4 -34.1 73.0-167.8 68.9 71.1 33.8 111 130 A A H > S+ 0 0 63 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.905 144.9 50.5 -52.9 -44.6 67.5 73.1 36.7 112 131 A I H > S+ 0 0 44 -3,-0.3 4,-3.7 2,-0.2 -1,-0.2 0.883 108.4 53.6 -59.9 -41.9 69.5 71.0 39.2 113 132 A G H X S+ 0 0 0 -4,-1.3 4,-4.0 2,-0.2 5,-0.4 0.977 108.9 47.3 -56.8 -57.4 72.6 71.6 37.2 114 133 A I H X S+ 0 0 20 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.950 117.0 43.3 -48.1 -59.2 72.2 75.4 37.3 115 134 A A H X S+ 0 0 57 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.910 118.1 45.6 -55.4 -46.4 71.5 75.3 41.0 116 135 A R H X S+ 0 0 67 -4,-3.7 4,-2.2 -5,-0.2 -2,-0.2 0.955 113.9 46.4 -65.4 -48.5 74.3 72.8 41.7 117 136 A T H X S+ 0 0 13 -4,-4.0 4,-2.2 1,-0.2 -2,-0.2 0.853 114.7 47.2 -64.2 -35.2 76.9 74.6 39.5 118 137 A F H X S+ 0 0 52 -4,-2.6 4,-1.4 -5,-0.4 -1,-0.2 0.818 111.3 51.2 -75.8 -29.2 76.1 78.0 40.9 119 138 A T H < S+ 0 0 87 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.860 110.9 50.1 -72.5 -33.0 76.2 76.6 44.5 120 139 A Y H >< S+ 0 0 118 -4,-2.2 3,-2.1 1,-0.2 -2,-0.2 0.936 107.6 51.7 -67.6 -47.0 79.6 75.1 43.7 121 140 A G H ><>S+ 0 0 4 -4,-2.2 5,-2.0 1,-0.3 3,-1.5 0.847 102.3 62.6 -57.8 -33.1 80.9 78.4 42.3 122 141 A G T 3<5S+ 0 0 70 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.346 105.1 46.5 -75.7 8.0 79.8 80.0 45.5 123 142 A A T < 5S+ 0 0 69 -3,-2.1 -1,-0.3 -5,-0.0 -2,-0.2 0.209 117.4 39.7-130.2 10.3 82.2 77.8 47.4 124 143 A H T < 5S- 0 0 106 -3,-1.5 -2,-0.2 -4,-0.1 -3,-0.1 0.101 109.3-111.0-144.5 19.5 85.3 78.3 45.2 125 144 A N T 5 + 0 0 147 -4,-0.3 2,-0.8 1,-0.2 -3,-0.2 0.918 53.9 167.5 44.6 60.9 84.9 82.0 44.4 126 145 A R < - 0 0 53 -5,-2.0 12,-0.2 -8,-0.1 -1,-0.2 -0.877 38.7-120.8-107.3 103.2 84.1 81.5 40.8 127 146 A E - 0 0 123 -2,-0.8 11,-2.2 1,-0.1 12,-0.3 -0.059 17.0-126.9 -42.2 131.2 82.8 84.8 39.3 128 147 A I S S- 0 0 101 9,-0.2 11,-2.4 10,-0.2 2,-0.3 0.929 78.3 -32.2 -47.2 -53.6 79.2 84.3 37.9 129 148 A A - 0 0 20 9,-0.2 -1,-0.1 8,-0.2 9,-0.1 -0.901 48.8-160.0-156.3-178.6 80.3 85.8 34.6 130 149 A N - 0 0 78 -2,-0.3 7,-0.1 7,-0.1 5,-0.1 -0.404 7.6-162.1-176.8 90.8 82.6 88.2 32.9 131 150 A Q 0 0 114 49,-0.1 -1,-0.1 -2,-0.1 50,-0.0 0.841 360.0 360.0 -45.6 -41.2 82.0 89.6 29.4 132 151 A N 0 0 172 2,-0.0 -2,-0.1 0, 0.0 0, 0.0 0.558 360.0 360.0-108.2 360.0 85.6 90.7 29.2 133 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 134 153 A P 0 0 59 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 24.8 85.2 84.3 30.3 135 154 A K + 0 0 195 1,-0.2 -5,-0.0 -5,-0.1 0, 0.0 0.773 360.0 5.3 -74.2 -26.1 88.1 81.9 31.1 136 155 A N S S+ 0 0 138 -6,-0.1 -1,-0.2 -9,-0.0 2,-0.1 0.294 92.6 130.9-140.6 9.6 86.8 80.8 34.5 137 156 A T >> - 0 0 9 1,-0.1 4,-1.3 -7,-0.1 3,-0.6 -0.412 63.3-126.9 -69.0 140.3 83.4 82.3 34.8 138 157 A T H >> S+ 0 0 2 -11,-2.2 4,-1.0 1,-0.3 3,-0.6 0.895 110.8 62.4 -52.8 -41.7 80.7 79.9 35.9 139 158 A L H >> S+ 0 0 13 -11,-2.4 3,-1.1 -12,-0.3 4,-0.8 0.911 100.9 51.8 -51.5 -44.8 78.7 81.1 32.8 140 159 A Q H X> S+ 0 0 49 -3,-0.6 4,-2.3 1,-0.3 3,-0.7 0.833 95.9 67.8 -63.8 -32.2 81.5 79.8 30.6 141 160 A H H S+ 0 0 40 -4,-1.3 4,-2.8 -3,-0.6 5,-0.6 0.849 96.3 57.8 -55.7 -32.3 81.3 76.4 32.3 142 161 A F H <<>S+ 0 0 0 -3,-1.1 5,-2.1 -4,-1.0 -1,-0.3 0.879 110.1 41.4 -66.2 -37.3 77.9 76.1 30.6 143 162 A Y H <<5S+ 0 0 82 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.2 0.774 120.6 43.4 -81.0 -25.3 79.4 76.5 27.2 144 163 A D H <5S- 0 0 103 -4,-2.3 -2,-0.2 3,-0.0 -3,-0.2 0.895 135.1 -9.1 -87.1 -45.0 82.4 74.3 27.9 145 164 A K T >X5S+ 0 0 114 -4,-2.8 3,-2.9 -5,-0.2 4,-1.0 0.655 120.9 54.2-114.9 -84.1 80.8 71.3 29.7 146 165 A L H >> S+ 0 0 77 -3,-2.9 4,-1.2 -6,-0.3 3,-1.2 0.712 92.3 73.4 -80.7 -26.2 77.6 69.5 25.9 149 168 A I H XX S+ 0 0 1 -3,-1.4 4,-1.3 -4,-1.0 3,-0.9 0.939 82.9 67.5 -54.5 -52.7 76.6 66.8 28.4 150 169 A K H 3< S+ 0 0 46 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.1 0.761 109.0 39.1 -39.5 -31.8 73.1 66.4 26.9 151 170 A D H <4 S+ 0 0 114 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.753 105.0 62.4 -94.1 -28.1 74.8 65.0 23.8 152 171 A Q H << S+ 0 0 122 -4,-1.2 -2,-0.2 -3,-0.9 -1,-0.2 0.597 77.6 120.5 -71.9 -12.5 77.6 62.9 25.3 153 172 A L < - 0 0 6 -4,-1.3 2,-0.1 1,-0.1 -51,-0.0 -0.248 57.4-150.3 -53.1 136.4 74.8 60.8 26.9 154 173 A N + 0 0 38 -56,-0.2 2,-0.3 -55,-0.1 -1,-0.1 -0.232 69.0 65.7-109.7 50.0 75.0 57.2 25.8 155 174 A T > - 0 0 3 1,-0.1 4,-2.6 -2,-0.1 5,-0.1 -0.910 66.9-142.2-164.9 132.1 71.4 56.2 26.0 156 175 A E H > S+ 0 0 123 -2,-0.3 4,-1.7 2,-0.2 5,-0.2 0.869 106.5 52.2 -66.8 -36.4 68.3 57.3 24.1 157 176 A T H >> S+ 0 0 16 2,-0.2 4,-2.0 1,-0.2 3,-0.6 0.974 110.4 48.2 -63.7 -49.6 66.2 57.2 27.2 158 177 A A H 34 S+ 0 0 0 1,-0.2 4,-0.3 2,-0.2 -2,-0.2 0.916 108.9 55.8 -53.9 -45.3 68.7 59.4 29.0 159 178 A K H 3< S+ 0 0 50 -4,-2.6 4,-0.4 1,-0.2 3,-0.4 0.809 108.2 46.5 -59.0 -34.0 68.7 61.8 26.1 160 179 A T H XX S+ 0 0 84 -4,-1.7 3,-0.6 -3,-0.6 4,-0.6 0.823 109.1 52.7 -82.1 -28.3 64.9 62.3 26.2 161 180 A I T 3< S+ 0 0 43 -4,-2.0 -1,-0.2 1,-0.2 4,-0.2 0.474 108.0 56.1 -82.9 6.1 64.8 62.8 29.9 162 181 A A T 3> S+ 0 0 0 -3,-0.4 4,-3.7 -4,-0.3 5,-0.3 0.573 86.9 81.2-104.7 -16.7 67.5 65.4 29.2 163 182 A K H <> S+ 0 0 144 -3,-0.6 4,-1.3 -4,-0.4 -2,-0.2 0.969 93.1 43.6 -55.6 -62.3 65.4 67.3 26.7 164 183 A E H X S+ 0 0 168 -4,-0.6 4,-2.0 1,-0.2 5,-0.2 0.869 118.0 49.5 -52.2 -36.4 63.3 69.3 29.2 165 184 A K H > S+ 0 0 33 1,-0.2 4,-2.3 -4,-0.2 5,-0.3 0.971 106.7 51.1 -67.3 -55.2 66.6 69.9 31.1 166 185 A Q H X S+ 0 0 25 -4,-3.7 4,-0.9 1,-0.2 -1,-0.2 0.668 112.2 54.0 -57.3 -15.8 68.6 71.1 28.1 167 186 A K H X S+ 0 0 121 -4,-1.3 4,-3.1 -5,-0.3 3,-0.5 0.965 107.3 41.6 -82.8 -64.9 65.8 73.5 27.4 168 187 A I H X S+ 0 0 73 -4,-2.0 4,-3.4 1,-0.3 -2,-0.2 0.839 116.0 54.5 -50.8 -33.6 65.3 75.4 30.7 169 188 A X H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.3 0.929 109.5 45.9 -67.0 -43.3 69.1 75.5 30.8 170 189 A Q H X S+ 0 0 82 -4,-0.9 4,-2.7 -3,-0.5 -2,-0.2 0.938 115.6 46.5 -64.7 -46.3 69.2 77.0 27.4 171 190 A D H X S+ 0 0 72 -4,-3.1 4,-2.7 2,-0.2 5,-0.2 0.930 111.2 52.3 -61.1 -45.8 66.4 79.5 28.3 172 191 A F H X S+ 0 0 60 -4,-3.4 4,-2.4 -5,-0.3 -2,-0.2 0.955 111.4 46.6 -55.8 -52.0 68.2 80.3 31.6 173 192 A I H X S+ 0 0 4 -4,-2.8 4,-2.2 2,-0.2 5,-0.3 0.946 111.3 50.2 -56.1 -52.7 71.4 81.1 29.8 174 193 A Q H X S+ 0 0 117 -4,-2.7 4,-1.4 1,-0.3 -2,-0.2 0.970 113.6 46.6 -49.4 -57.7 69.8 83.2 27.1 175 194 A A H X S+ 0 0 42 -4,-2.7 4,-2.3 2,-0.2 -1,-0.3 0.821 111.2 53.9 -54.7 -35.3 68.0 85.2 29.9 176 195 A L H X S+ 0 0 22 -4,-2.4 4,-1.4 -5,-0.2 3,-0.3 1.000 108.5 44.8 -63.9 -66.1 71.2 85.5 31.8 177 196 A E H < S+ 0 0 67 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.701 115.0 53.7 -50.7 -21.5 73.4 87.0 29.1 178 197 A K H ><>S+ 0 0 110 -4,-1.4 3,-1.0 -5,-0.3 5,-0.7 0.940 115.0 33.9 -82.2 -50.6 70.5 89.3 28.3 179 198 A E H 3<5S+ 0 0 147 -4,-2.3 -2,-0.2 -3,-0.3 -1,-0.2 0.443 105.9 75.6 -85.0 5.1 69.9 90.8 31.8 180 199 A L T 3<5S+ 0 0 61 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.564 109.2 27.5 -89.5 -8.8 73.6 90.6 32.4 181 200 A K T < 5S- 0 0 113 -3,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.351 110.7-118.0-128.0 -3.8 74.2 93.6 30.2 182 201 A V T 5 - 0 0 123 -4,-0.5 2,-0.6 1,-0.2 -3,-0.2 0.987 35.2-163.5 58.9 84.8 70.8 95.3 30.6 183 202 A L < 0 0 80 -5,-0.7 -1,-0.2 1,-0.1 -5,-0.0 -0.887 360.0 360.0-106.8 116.7 69.3 95.3 27.1 184 203 A E 0 0 242 -2,-0.6 -1,-0.1 0, 0.0 -2,-0.0 -0.049 360.0 360.0 178.0 360.0 66.3 97.5 26.4