==== 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 TRANSCRIPTION 19-JUN-07 2QCO . COMPND 2 MOLECULE: CMER; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI; . AUTHOR R.GU,C.SU,F.SHI,M.LI,G.MCDERMOTT,Q.ZHANG,E.W.YU . 202 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12408.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 72.3 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 . 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 . 3 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 60.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 0 3 1 0 0 1 1 0 0 2 0 0 0 0 0 1 0 0 1 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 6 A T > 0 0 98 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 122.1 4.9 22.5 27.1 2 7 A P H > + 0 0 98 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.877 360.0 55.4 -65.2 -40.3 7.5 24.3 25.0 3 8 A S H > S+ 0 0 84 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.832 108.2 48.5 -63.0 -36.1 9.9 24.9 28.0 4 9 A Q H > S+ 0 0 131 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.807 109.9 53.0 -71.3 -32.6 9.9 21.1 28.8 5 10 A K H X S+ 0 0 147 -4,-1.3 4,-1.0 2,-0.2 -2,-0.2 0.798 109.0 49.2 -71.9 -31.6 10.6 20.4 25.1 6 11 A V H X S+ 0 0 66 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.911 112.2 47.5 -71.8 -45.4 13.6 22.8 25.2 7 12 A L H X S+ 0 0 103 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.920 114.1 45.6 -62.6 -47.6 15.1 21.2 28.3 8 13 A A H X S+ 0 0 64 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.778 112.8 52.4 -66.6 -28.9 14.7 17.6 27.1 9 14 A R H X S+ 0 0 58 -4,-1.0 4,-1.2 2,-0.2 -2,-0.2 0.837 109.2 49.5 -72.8 -36.4 16.1 18.8 23.7 10 15 A Q H X S+ 0 0 32 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.826 106.6 55.3 -69.9 -34.9 19.1 20.3 25.6 11 16 A E H X S+ 0 0 89 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.755 103.0 57.7 -69.4 -26.2 19.6 17.0 27.6 12 17 A K H X S+ 0 0 107 -4,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.909 106.4 46.5 -68.8 -45.1 19.9 15.2 24.2 13 18 A I H X S+ 0 0 0 -4,-1.2 4,-2.3 1,-0.2 -2,-0.2 0.868 113.8 49.2 -65.5 -38.7 22.8 17.3 23.0 14 19 A K H X S+ 0 0 15 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.804 111.9 48.6 -70.4 -32.1 24.5 16.9 26.4 15 20 A A H X S+ 0 0 53 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.819 112.1 49.2 -75.1 -34.2 24.0 13.1 26.2 16 21 A V H X S+ 0 0 10 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.908 114.4 44.8 -69.0 -44.7 25.3 13.0 22.7 17 22 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.932 112.5 50.7 -64.5 -48.3 28.4 15.0 23.6 18 23 A L H X S+ 0 0 49 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.842 111.4 49.0 -59.4 -37.9 29.0 13.0 26.8 19 24 A E H X S+ 0 0 124 -4,-1.5 4,-2.2 2,-0.2 3,-0.3 0.899 112.1 48.6 -67.2 -42.3 28.8 9.7 24.8 20 25 A L H X>S+ 0 0 13 -4,-1.9 4,-1.7 1,-0.2 5,-1.3 0.814 108.0 53.4 -69.1 -33.7 31.2 11.0 22.2 21 26 A F H <>S+ 0 0 14 -4,-2.3 5,-0.5 3,-0.2 -1,-0.2 0.730 115.8 42.0 -71.3 -22.7 33.8 12.2 24.8 22 27 A L H <5S+ 0 0 107 -4,-0.8 -2,-0.2 -3,-0.3 -1,-0.2 0.806 124.2 31.2 -93.4 -36.4 33.7 8.7 26.3 23 28 A T H <5S+ 0 0 114 -4,-2.2 -3,-0.2 2,-0.1 -2,-0.2 0.779 135.9 21.6 -95.6 -31.6 33.7 6.5 23.2 24 29 A K T <5S- 0 0 99 -4,-1.7 -3,-0.2 -5,-0.3 -4,-0.1 0.690 112.1-107.2-107.6 -29.1 35.7 8.6 20.7 25 30 A G T >< - 0 0 17 -5,-1.3 4,-1.8 3,-0.1 -3,-0.2 -0.012 18.4-100.4 107.2 146.6 37.6 10.9 23.0 26 31 A Y T 4 - 0 0 43 -2,-0.2 4,-1.0 1,-0.1 3,-0.1 -0.607 37.8-101.4-112.8 178.8 34.5 18.1 17.2 31 36 A L H >> S+ 0 0 51 1,-0.2 4,-2.3 -2,-0.2 3,-0.6 0.913 122.0 55.8 -65.8 -43.8 31.4 20.3 17.3 32 37 A S H 3> S+ 0 0 74 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.749 101.7 58.0 -61.5 -27.9 30.2 19.0 14.0 33 38 A D H 3> S+ 0 0 43 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.853 110.1 43.2 -67.7 -37.5 30.4 15.5 15.4 34 39 A I H < S+ 0 0 166 -4,-1.8 3,-0.9 1,-0.2 -2,-0.2 0.934 112.2 48.6 -67.3 -50.1 25.3 15.4 13.3 37 42 A L H 3< S+ 0 0 97 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.687 106.6 58.7 -67.9 -19.9 24.6 12.7 16.0 38 43 A S H 3< S- 0 0 7 -4,-1.1 2,-0.4 1,-0.2 -1,-0.3 0.759 92.4-166.9 -74.6 -28.0 22.0 15.0 17.6 39 44 A G X< - 0 0 50 -3,-0.9 3,-0.6 -4,-0.8 -1,-0.2 -0.626 62.1 -10.7 80.4-129.1 20.1 15.0 14.3 40 45 A G T 3 S+ 0 0 88 -2,-0.4 -1,-0.2 1,-0.2 -4,-0.1 -0.252 120.6 82.4 -97.9 43.5 17.4 17.7 14.0 41 46 A S T 3 S+ 0 0 39 -6,-0.3 -1,-0.2 -2,-0.1 -28,-0.2 0.345 74.6 68.9-125.0 -0.8 17.6 18.6 17.7 42 47 A Y X + 0 0 19 -3,-0.6 3,-0.8 -7,-0.2 -2,-0.1 0.965 55.3 172.9 -83.7 -64.1 20.6 21.0 17.8 43 48 A S T 3 S- 0 0 81 1,-0.2 3,-0.1 -8,-0.1 -3,-0.1 0.908 74.3 -72.9 51.2 55.0 19.3 24.1 15.9 44 49 A N T 3 S- 0 0 101 1,-0.1 -1,-0.2 5,-0.1 6,-0.1 0.763 71.2-149.4 28.4 50.9 22.5 26.2 16.7 45 50 A I < - 0 0 9 -3,-0.8 2,-1.0 1,-0.1 -1,-0.1 -0.049 5.5-125.9 -56.2 145.2 21.3 26.5 20.3 46 51 A Y S S+ 0 0 157 -3,-0.1 -1,-0.1 3,-0.1 2,-0.1 -0.658 75.4 64.7-107.2 76.5 22.3 29.7 22.2 47 52 A D S S- 0 0 88 -2,-1.0 3,-0.2 0, 0.0 8,-0.1 -0.245 116.7 -43.7-145.9-118.3 24.2 29.0 25.4 48 53 A G S > S+ 0 0 22 6,-0.2 3,-0.8 1,-0.1 7,-0.2 0.278 114.0 96.1-100.8 5.2 27.6 27.3 25.9 49 54 A F T 3 + 0 0 0 1,-0.3 -4,-0.1 5,-0.2 -1,-0.1 0.527 57.0 86.4 -73.8 -7.8 26.5 24.8 23.2 50 55 A K T 3 S+ 0 0 119 -3,-0.2 2,-0.3 -6,-0.1 -1,-0.3 0.275 96.6 34.4 -78.9 11.4 28.2 26.8 20.5 51 56 A S S <> S- 0 0 22 -3,-0.8 4,-1.7 -20,-0.1 5,-0.1 -0.978 78.5-121.1-158.4 156.2 31.5 24.9 21.2 52 57 A K H > S+ 0 0 33 -2,-0.3 4,-1.0 2,-0.2 -1,-0.1 0.719 114.5 55.0 -71.8 -22.3 32.7 21.5 22.4 53 58 A E H > S+ 0 0 38 2,-0.2 4,-1.7 1,-0.1 3,-0.3 0.948 109.2 44.0 -72.2 -53.3 34.3 23.1 25.4 54 59 A G H > S+ 0 0 9 1,-0.2 4,-1.3 -6,-0.2 -5,-0.2 0.808 109.8 57.7 -62.7 -33.5 31.2 24.9 26.6 55 60 A L H X S+ 0 0 0 -4,-1.7 4,-1.3 -7,-0.2 -1,-0.2 0.863 106.2 49.7 -62.5 -39.2 29.2 21.7 26.0 56 61 A F H X S+ 0 0 1 -4,-1.0 4,-2.5 -3,-0.3 -2,-0.2 0.883 110.6 48.9 -66.3 -41.5 31.5 19.9 28.4 57 62 A F H X S+ 0 0 11 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.708 105.8 58.0 -73.7 -21.5 31.2 22.6 31.1 58 63 A E H X S+ 0 0 42 -4,-1.3 4,-1.0 2,-0.2 -1,-0.2 0.839 111.4 42.0 -70.9 -36.6 27.4 22.3 30.7 59 64 A I H X S+ 0 0 16 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.879 112.3 54.6 -72.7 -40.8 27.7 18.6 31.6 60 65 A L H X S+ 0 0 14 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.803 102.2 59.0 -63.3 -31.8 30.2 19.5 34.3 61 66 A D H X S+ 0 0 31 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.904 106.7 46.1 -61.9 -44.2 27.6 21.9 35.8 62 67 A D H X S+ 0 0 51 -4,-1.0 4,-1.4 -3,-0.2 -2,-0.2 0.830 113.1 50.4 -67.6 -35.0 25.1 19.1 36.2 63 68 A I H X S+ 0 0 37 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.906 111.9 46.3 -69.7 -44.3 27.8 16.9 37.8 64 69 A C H X S+ 0 0 24 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.821 112.2 51.2 -68.2 -33.9 28.9 19.5 40.3 65 70 A K H X S+ 0 0 105 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.817 111.4 48.3 -70.9 -32.9 25.3 20.3 41.2 66 71 A K H X S+ 0 0 152 -4,-1.4 4,-1.3 2,-0.2 -2,-0.2 0.862 112.0 48.6 -73.9 -38.6 24.6 16.6 41.8 67 72 A H H X S+ 0 0 59 -4,-2.1 4,-2.2 2,-0.2 5,-0.3 0.866 109.0 54.8 -66.6 -38.6 27.8 16.2 43.9 68 73 A F H X S+ 0 0 49 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.941 112.3 40.4 -60.4 -51.7 26.8 19.3 46.0 69 74 A H H X S+ 0 0 120 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.715 113.2 56.0 -73.6 -23.1 23.4 18.0 47.0 70 75 A L H X S+ 0 0 63 -4,-1.3 4,-1.1 2,-0.2 -2,-0.2 0.922 113.9 37.8 -73.1 -47.7 24.7 14.5 47.5 71 76 A I H X S+ 0 0 1 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.883 115.2 56.3 -68.8 -39.9 27.3 15.5 50.0 72 77 A Y H X S+ 0 0 96 -4,-2.2 4,-1.8 -5,-0.3 3,-0.3 0.880 106.6 49.0 -58.6 -42.8 25.0 18.2 51.5 73 78 A S H X S+ 0 0 66 -4,-1.5 4,-0.8 1,-0.2 -1,-0.2 0.816 110.6 50.8 -67.8 -32.8 22.3 15.5 52.2 74 79 A K H < S+ 0 0 90 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.693 118.8 37.0 -78.3 -20.8 24.8 13.2 53.9 75 80 A T H >< S+ 0 0 0 -4,-1.2 3,-0.6 -3,-0.3 -2,-0.2 0.593 109.4 59.8-106.4 -17.2 26.1 16.0 56.2 76 81 A Q H >< S+ 0 0 80 -4,-1.8 3,-1.1 1,-0.2 -3,-0.2 0.743 94.6 65.4 -81.8 -25.2 22.8 17.9 56.9 77 82 A E T 3< S+ 0 0 172 -4,-0.8 -1,-0.2 1,-0.2 -4,-0.1 -0.008 103.6 48.3 -86.6 30.0 21.3 14.8 58.5 78 83 A I T X + 0 0 43 -3,-0.6 2,-2.5 3,-0.1 3,-1.6 0.070 65.8 138.9-152.6 23.5 23.9 15.0 61.3 79 84 A K T < + 0 0 119 -3,-1.1 -3,-0.1 1,-0.2 3,-0.0 -0.444 69.4 54.7 -74.4 70.4 23.6 18.7 62.2 80 85 A N T 3 S+ 0 0 145 -2,-2.5 -1,-0.2 2,-0.1 -3,-0.0 0.227 89.1 84.4-168.4 -27.0 23.9 17.9 66.0 81 86 A G S < S- 0 0 32 -3,-1.6 -3,-0.1 1,-0.2 2,-0.0 0.162 83.1 -65.2 -79.3-164.2 27.1 15.9 66.4 82 87 A T > - 0 0 80 1,-0.1 4,-1.5 -3,-0.0 -1,-0.2 -0.191 42.1-106.8 -81.3 172.7 30.7 16.9 66.8 83 88 A L H > S+ 0 0 26 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.781 121.9 56.0 -67.5 -29.4 33.1 18.6 64.3 84 89 A K H > S+ 0 0 96 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.893 105.6 49.3 -67.3 -43.7 34.8 15.2 63.9 85 90 A E H > S+ 0 0 88 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.838 111.9 46.6 -70.0 -36.4 31.5 13.5 62.8 86 91 A I H X S+ 0 0 9 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.763 112.4 52.1 -76.3 -26.8 30.6 16.1 60.2 87 92 A L H X S+ 0 0 0 -4,-1.1 4,-2.7 2,-0.2 -2,-0.2 0.859 111.9 44.8 -73.6 -39.8 34.1 16.0 58.8 88 93 A T H X S+ 0 0 32 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.842 113.6 50.7 -71.3 -36.0 34.1 12.2 58.5 89 94 A S H X S+ 0 0 26 -4,-1.6 4,-0.9 2,-0.2 -2,-0.2 0.853 115.9 41.8 -69.3 -37.7 30.6 12.4 56.9 90 95 A F H X S+ 0 0 1 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.909 114.9 52.7 -69.8 -46.0 31.8 15.0 54.5 91 96 A G H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.891 106.8 49.9 -58.3 -47.8 35.1 13.2 53.9 92 97 A L H X S+ 0 0 64 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.841 115.2 43.9 -62.7 -37.0 33.5 9.8 53.0 93 98 A A H X S+ 0 0 1 -4,-0.9 4,-1.0 -5,-0.2 -1,-0.2 0.813 115.7 48.8 -75.6 -33.2 31.1 11.4 50.5 94 99 A F H X S+ 0 0 9 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.875 113.2 45.3 -73.7 -41.0 34.0 13.6 49.1 95 100 A I H X S+ 0 0 6 -4,-2.8 4,-0.8 1,-0.2 -2,-0.2 0.759 107.4 59.4 -75.3 -26.7 36.4 10.7 48.7 96 101 A E H < S+ 0 0 50 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.851 103.3 52.2 -69.7 -36.8 33.8 8.4 47.1 97 102 A I H >< S+ 0 0 20 -4,-1.0 3,-1.0 1,-0.2 6,-0.5 0.924 110.5 45.2 -65.6 -48.1 33.2 10.8 44.3 98 103 A F H 3< S+ 0 0 44 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.604 103.3 66.4 -76.5 -12.5 36.9 11.2 43.2 99 104 A N T 3< S+ 0 0 14 -4,-0.8 -1,-0.3 -3,-0.1 -2,-0.1 0.030 82.6 97.3 -97.0 26.1 37.4 7.4 43.5 100 105 A Q S <> S- 0 0 74 -3,-1.0 4,-1.0 1,-0.1 3,-0.5 -0.878 83.2-121.8-109.8 147.2 35.1 6.7 40.5 101 106 A P H > S+ 0 0 76 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.675 110.4 63.3 -60.5 -18.5 36.3 6.2 36.9 102 107 A E H > S+ 0 0 105 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.939 97.4 52.5 -69.6 -50.0 34.1 9.1 35.9 103 108 A A H > S+ 0 0 17 -3,-0.5 4,-1.0 -6,-0.5 -1,-0.2 0.765 111.2 49.0 -58.5 -28.8 36.0 11.7 38.0 104 109 A V H X S+ 0 0 18 -4,-1.0 4,-1.7 2,-0.2 -1,-0.2 0.862 110.1 50.7 -76.2 -39.9 39.2 10.5 36.3 105 110 A A H X S+ 0 0 37 -4,-1.4 4,-0.8 1,-0.2 -2,-0.2 0.868 114.2 43.0 -66.9 -40.0 37.7 10.8 32.8 106 111 A F H X S+ 0 0 29 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.777 109.8 59.2 -75.3 -28.8 36.5 14.3 33.4 107 112 A G H X S+ 0 0 2 -4,-1.0 4,-2.3 -5,-0.3 -2,-0.2 0.866 101.1 54.2 -64.9 -39.3 39.8 15.2 35.0 108 113 A K H X S+ 0 0 86 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.826 107.4 51.3 -63.0 -34.7 41.7 14.3 31.9 109 114 A I H X S+ 0 0 11 -4,-0.8 4,-0.7 2,-0.2 -2,-0.2 0.885 110.9 47.1 -70.1 -41.8 39.5 16.7 29.9 110 115 A I H >< S+ 0 0 52 -4,-1.7 3,-0.6 1,-0.2 -2,-0.2 0.896 111.9 50.8 -66.0 -42.0 40.1 19.6 32.3 111 116 A Y H >< S+ 0 0 77 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.794 105.9 56.0 -66.9 -30.7 43.9 18.9 32.3 112 117 A S H >< S+ 0 0 51 -4,-1.3 3,-0.6 1,-0.2 -1,-0.2 0.693 94.8 67.2 -75.9 -20.8 44.0 18.9 28.5 113 118 A Q G X< + 0 0 13 -4,-0.7 3,-0.9 -3,-0.6 -1,-0.2 -0.002 66.6 110.9 -88.9 29.2 42.5 22.4 28.3 114 119 A V G < S+ 0 0 104 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.1 0.754 79.5 43.4 -76.4 -25.8 45.6 23.9 29.8 115 120 A Y G < S+ 0 0 222 -3,-0.6 2,-0.3 4,-0.0 -1,-0.2 0.042 81.3 139.0-107.4 24.4 46.7 25.6 26.6 116 121 A D < - 0 0 44 -3,-0.9 3,-0.2 1,-0.1 5,-0.1 -0.555 37.1-164.5 -72.7 128.5 43.2 26.9 25.7 117 122 A K S S+ 0 0 187 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.725 83.8 61.5 -86.1 -24.5 43.3 30.5 24.4 118 123 A D S S- 0 0 112 1,-0.0 -1,-0.2 4,-0.0 -2,-0.0 0.590 99.3-132.5 -80.8 -12.3 39.5 31.1 24.8 119 124 A R > + 0 0 117 -3,-0.2 4,-1.4 -6,-0.1 5,-0.1 0.922 50.6 151.5 59.5 52.4 39.7 30.6 28.6 120 125 A H H > S+ 0 0 46 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.822 76.7 48.8 -74.8 -34.0 36.7 28.3 29.0 121 126 A L H > S+ 0 0 35 -8,-0.2 4,-1.6 2,-0.2 5,-0.2 0.843 111.6 49.3 -73.1 -37.1 38.3 26.7 32.1 122 127 A A H > S+ 0 0 26 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.864 111.8 47.7 -70.8 -39.2 39.0 30.2 33.6 123 128 A N H X S+ 0 0 68 -4,-1.4 4,-0.7 2,-0.2 -1,-0.2 0.764 111.1 51.6 -73.9 -27.7 35.5 31.5 33.1 124 129 A W H X S+ 0 0 26 -4,-1.1 4,-1.1 2,-0.2 -2,-0.2 0.907 112.5 42.5 -76.6 -44.7 33.8 28.4 34.5 125 130 A I H < S+ 0 0 69 -4,-1.6 3,-0.3 1,-0.2 -2,-0.2 0.922 114.6 49.9 -67.6 -45.6 35.8 28.2 37.8 126 131 A E H < S+ 0 0 127 -4,-1.6 3,-0.2 1,-0.2 -1,-0.2 0.694 118.1 39.7 -69.0 -21.1 35.6 32.0 38.5 127 132 A N H < S+ 0 0 109 -4,-0.7 -1,-0.2 1,-0.1 -2,-0.2 0.542 116.5 48.3-104.8 -11.7 31.8 32.0 37.9 128 133 A N S >< S+ 0 0 29 -4,-1.1 3,-0.5 -3,-0.3 4,-0.5 -0.099 71.6 118.6-116.9 34.1 30.9 28.7 39.6 129 134 A Q T 3 S+ 0 0 80 1,-0.2 3,-0.5 -3,-0.2 6,-0.1 0.803 75.0 52.1 -69.1 -31.9 32.9 29.4 42.9 130 135 A Q T 3 S+ 0 0 117 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.628 102.6 60.7 -79.8 -15.3 29.8 29.2 45.0 131 136 A N S < S+ 0 0 48 -3,-0.5 -1,-0.2 3,-0.0 -2,-0.2 0.570 79.5 107.3 -89.5 -12.0 28.7 25.8 43.5 132 137 A F S > S- 0 0 50 -3,-0.5 3,-1.2 -4,-0.5 4,-0.2 -0.319 77.7-120.2 -69.3 153.6 31.9 23.9 44.7 133 138 A S T >> S+ 0 0 25 1,-0.3 3,-1.0 2,-0.2 4,-0.6 0.577 103.1 74.3 -76.1 -11.9 31.5 21.4 47.5 134 139 A Y H 3> S+ 0 0 25 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.717 83.2 70.9 -71.8 -20.9 34.1 23.1 49.8 135 140 A N H <> S+ 0 0 30 -3,-1.2 4,-1.0 1,-0.2 -1,-0.2 0.691 87.9 64.3 -66.9 -21.5 31.4 25.8 50.5 136 141 A I H <> S+ 0 0 12 -3,-1.0 4,-0.9 2,-0.2 3,-0.4 0.930 106.5 41.1 -66.4 -47.9 29.4 23.2 52.5 137 142 A L H X S+ 0 0 1 -4,-0.6 4,-2.1 1,-0.2 3,-0.4 0.859 105.4 66.4 -65.7 -38.0 32.2 22.9 55.1 138 143 A M H X S+ 0 0 45 -4,-1.7 4,-1.0 1,-0.3 -1,-0.2 0.805 101.0 50.0 -54.8 -33.9 32.7 26.7 55.0 139 144 A G H X S+ 0 0 36 -4,-1.0 4,-1.4 -3,-0.4 -1,-0.3 0.841 108.5 51.9 -71.7 -36.8 29.3 27.1 56.5 140 145 A F H < S+ 0 0 21 -4,-0.9 4,-0.3 -3,-0.4 -2,-0.2 0.820 108.7 50.2 -70.0 -34.0 30.1 24.5 59.3 141 146 A F H < S+ 0 0 5 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.781 110.6 50.3 -73.6 -29.0 33.3 26.4 60.3 142 147 A K H < S+ 0 0 83 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.769 104.8 55.4 -81.2 -29.0 31.4 29.7 60.5 143 148 A Q S < S+ 0 0 140 -4,-1.4 -1,-0.2 6,-0.1 -2,-0.2 0.574 91.1 99.9 -77.7 -10.7 28.6 28.4 62.7 144 149 A Q S S- 0 0 71 -4,-0.3 -3,-0.0 -3,-0.2 6,-0.0 -0.457 79.6-129.3 -75.7 149.9 31.3 27.2 65.2 145 150 A N S S+ 0 0 164 -2,-0.1 2,-0.3 4,-0.1 -1,-0.1 0.599 76.5 105.3 -77.1 -13.1 32.0 29.4 68.2 146 151 A N > - 0 0 72 1,-0.1 4,-1.2 -5,-0.1 -2,-0.1 -0.537 62.0-150.8 -73.8 130.9 35.8 29.4 67.6 147 152 A S H > S+ 0 0 82 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 0.803 97.7 55.6 -69.4 -32.0 37.1 32.7 66.3 148 153 A Y H > S+ 0 0 134 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.857 109.8 45.4 -67.1 -38.5 40.0 30.9 64.4 149 154 A M H 4 S+ 0 0 46 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.739 112.1 52.6 -77.7 -25.4 37.5 28.7 62.6 150 155 A K H >< S+ 0 0 103 -4,-1.2 3,-0.5 2,-0.2 -2,-0.2 0.879 114.1 38.8 -79.4 -41.2 35.2 31.6 61.7 151 156 A K H 3< S+ 0 0 143 -4,-1.8 3,-0.2 1,-0.2 -2,-0.2 0.780 122.6 41.4 -81.4 -29.3 37.8 33.9 60.1 152 157 A N T 3X S+ 0 0 47 -4,-1.3 4,-2.7 -5,-0.2 5,-0.3 0.072 78.8 123.8-103.5 22.6 39.7 31.1 58.3 153 158 A A H <> S+ 0 0 1 -3,-0.5 4,-1.5 1,-0.2 -1,-0.2 0.834 75.8 41.6 -54.7 -43.8 36.5 29.3 57.2 154 159 A E H > S+ 0 0 107 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.900 116.0 49.1 -71.6 -42.8 37.3 29.2 53.5 155 160 A K H > S+ 0 0 164 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.843 113.6 46.3 -67.0 -36.4 41.0 28.4 53.9 156 161 A L H X S+ 0 0 18 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.829 112.3 50.2 -75.2 -35.1 40.3 25.5 56.3 157 162 A A H X S+ 0 0 0 -4,-1.5 4,-1.4 -5,-0.3 -2,-0.2 0.863 112.9 46.4 -70.1 -38.9 37.5 24.1 54.1 158 163 A V H X S+ 0 0 62 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.874 112.3 52.3 -67.9 -39.4 39.8 24.2 51.0 159 164 A L H X S+ 0 0 84 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.930 108.9 48.3 -62.3 -49.0 42.6 22.6 53.1 160 165 A F H X S+ 0 0 0 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.836 112.4 49.0 -63.5 -36.5 40.5 19.7 54.3 161 166 A C H X S+ 0 0 10 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.855 111.4 50.1 -69.4 -37.0 39.2 19.0 50.7 162 167 A T H X S+ 0 0 69 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.869 104.0 58.2 -69.0 -39.6 42.8 19.1 49.4 163 168 A M H < S+ 0 0 51 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.816 116.1 35.3 -60.7 -34.0 44.1 16.7 52.1 164 169 A L H < S+ 0 0 1 -4,-0.9 -2,-0.2 -5,-0.2 4,-0.2 0.907 123.4 41.1 -84.0 -49.7 41.6 14.0 50.9 165 170 A K H X S+ 0 0 50 -4,-2.4 4,-2.2 -5,-0.1 3,-0.2 0.930 97.9 102.8 -67.8 -51.6 41.6 14.7 47.1 166 171 A E T < S- 0 0 53 -4,-2.2 0, 0.0 1,-0.3 0, 0.0 -0.632 81.1 -1.4-104.9 155.0 45.3 15.3 46.4 167 172 A P T > S+ 0 0 74 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 -0.906 122.4 64.7 -93.2 23.1 47.7 14.2 45.2 168 173 A Y H > S+ 0 0 93 -3,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.900 105.1 44.6 -70.8 -43.9 45.8 10.9 44.6 169 174 A H H X S+ 0 0 10 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.832 111.6 55.7 -66.3 -33.9 43.4 12.4 42.0 170 175 A H H > S+ 0 0 75 -5,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.817 111.1 43.7 -66.6 -33.7 46.4 14.2 40.4 171 176 A L H X S+ 0 0 77 -4,-1.4 4,-1.4 2,-0.2 6,-1.2 0.798 110.9 55.1 -79.9 -33.1 48.1 10.8 40.0 172 177 A N H X S+ 0 0 6 -4,-2.0 4,-0.7 4,-0.2 -2,-0.2 0.900 112.4 42.3 -64.0 -43.1 44.9 9.2 38.8 173 178 A V H < S+ 0 0 4 -4,-2.1 -2,-0.2 2,-0.1 -1,-0.1 0.930 121.9 36.2 -71.3 -48.6 44.4 11.7 36.0 174 179 A L H < S+ 0 0 99 -4,-1.4 -3,-0.2 -5,-0.2 -2,-0.1 0.965 133.9 14.3 -74.1 -56.6 48.0 12.0 34.8 175 180 A I H < S- 0 0 125 -4,-1.4 -3,-0.2 -5,-0.2 -1,-0.2 0.184 101.7-108.2-113.2 16.0 49.6 8.5 35.0 176 181 A N < - 0 0 111 -4,-0.7 -4,-0.2 -5,-0.2 -3,-0.1 0.936 47.2-172.1 54.2 54.9 46.4 6.3 35.5 177 182 A A - 0 0 26 -6,-1.2 -1,-0.1 -9,-0.2 2,-0.1 -0.460 31.9 -93.2 -72.3 146.8 47.0 5.4 39.2 178 183 A P - 0 0 124 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.353 41.1-117.6 -64.6 141.0 44.7 2.8 40.8 179 184 A L - 0 0 60 1,-0.1 2,-0.2 -80,-0.1 -80,-0.1 -0.468 29.6-104.3 -78.5 149.0 41.6 4.1 42.6 180 185 A K - 0 0 39 -2,-0.1 2,-0.1 -85,-0.1 -1,-0.1 -0.515 30.1-132.9 -72.4 135.9 41.0 3.6 46.3 181 186 A N > - 0 0 85 -2,-0.2 4,-2.4 1,-0.1 3,-0.5 -0.428 35.5 -93.8 -79.4 165.6 38.5 0.9 47.4 182 187 A K H > S+ 0 0 135 1,-0.3 4,-1.6 2,-0.2 5,-0.1 0.743 127.8 50.5 -55.1 -28.8 35.8 1.7 50.0 183 188 A K H > S+ 0 0 140 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.884 111.9 46.1 -74.6 -42.1 38.1 0.3 52.8 184 189 A E H > S+ 0 0 78 -3,-0.5 4,-1.5 2,-0.2 -2,-0.2 0.783 111.5 54.3 -69.1 -29.8 41.1 2.4 51.6 185 190 A Q H X S+ 0 0 9 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.909 108.9 46.3 -68.5 -45.7 38.8 5.4 51.4 186 191 A K H X S+ 0 0 108 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.829 111.5 53.4 -66.3 -34.9 37.6 5.0 55.0 187 192 A E H X S+ 0 0 112 -4,-1.6 4,-1.0 2,-0.2 -1,-0.2 0.865 110.4 46.0 -66.9 -39.2 41.2 4.6 56.1 188 193 A H H X S+ 0 0 17 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.840 110.2 52.6 -75.6 -36.0 42.3 7.8 54.5 189 194 A V H X S+ 0 0 1 -4,-1.9 4,-3.1 2,-0.2 5,-0.2 0.951 111.4 45.8 -62.9 -50.8 39.4 9.9 55.7 190 195 A E H X S+ 0 0 103 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.761 113.3 52.3 -63.3 -27.5 40.0 8.9 59.4 191 196 A F H X S+ 0 0 139 -4,-1.0 4,-1.4 2,-0.2 -1,-0.2 0.901 113.6 41.7 -72.6 -45.1 43.8 9.5 58.8 192 197 A V H X S+ 0 0 6 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.921 113.0 53.2 -67.7 -46.9 43.1 13.1 57.4 193 198 A V H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 5,-0.3 0.861 108.7 50.7 -57.5 -40.4 40.5 13.9 60.1 194 199 A N H X>S+ 0 0 72 -4,-1.2 4,-1.8 -5,-0.2 5,-1.0 0.882 114.2 42.3 -66.0 -41.9 42.9 12.9 62.9 195 200 A V H <5S+ 0 0 53 -4,-1.4 -2,-0.2 3,-0.2 -1,-0.2 0.824 115.3 51.6 -74.2 -33.4 45.7 15.1 61.6 196 201 A F H <5S+ 0 0 44 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.915 122.6 26.8 -69.3 -45.3 43.3 18.0 60.8 197 202 A L H <5S+ 0 0 59 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.908 137.8 20.3 -85.9 -48.0 41.7 18.1 64.2 198 203 A N T <5S- 0 0 108 -4,-1.8 2,-0.2 -5,-0.3 -3,-0.2 0.681 96.0-141.7-101.9 -23.6 44.3 16.8 66.7 199 204 A G < - 0 0 26 -5,-1.0 -1,-0.3 1,-0.1 -2,-0.1 -0.625 30.3 -71.8 99.0-155.1 47.6 17.2 64.7 200 205 A I S S+ 0 0 132 -2,-0.2 2,-2.1 1,-0.1 -1,-0.1 0.620 103.2 88.4-116.2 -25.2 50.7 15.0 64.5 201 206 A N 0 0 163 -3,-0.2 -1,-0.1 0, 0.0 -2,-0.0 -0.381 360.0 360.0 -81.4 62.4 52.3 15.4 67.9 202 207 A S 0 0 136 -2,-2.1 -3,-0.0 -3,-0.1 -4,-0.0 -0.793 360.0 360.0 179.0 360.0 50.4 12.6 69.7