==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 11-MAR-13 4JKV . COMPND 2 MOLECULE: SOLUBLE CYTOCHROME B562, SMOOTHENED HOMOLOG; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI, HOMO SAPIENS; . AUTHOR C.WANG,H.WU,V.KATRITCH,G.W.HAN,X.HUANG,W.LIU,F.Y.SIU,B.L.ROT . 904 6 8 4 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41394.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 707 78.2 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 . 34 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 25 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 539 59.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.8 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 2 0 2 2 0 0 1 1 0 0 0 0 2 1 4 3 2 0 0 0 1 1 0 0 2 0 6 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 . 6 1 2 2 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 . 1 3 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 G 0 0 63 0, 0.0 4,-0.1 0, 0.0 45,-0.1 0.000 360.0 360.0 360.0 142.3 -6.0 12.1 55.5 2 0 A T + 0 0 143 2,-0.1 2,-0.2 43,-0.0 40,-0.0 0.933 360.0 39.8 -66.9 -49.9 -3.6 9.8 57.4 3 1 A A S S- 0 0 43 1,-0.1 42,-0.1 35,-0.1 2,-0.0 -0.615 103.0 -89.8 -97.9 159.4 -1.7 8.9 54.2 4 2 A D > - 0 0 111 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.311 27.9-124.4 -66.8 151.5 -0.8 11.3 51.3 5 3 A L H > S+ 0 0 13 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.918 114.9 47.2 -62.2 -45.4 -3.2 11.9 48.4 6 4 A E H > S+ 0 0 77 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.764 112.8 51.2 -68.7 -26.5 -0.5 10.9 45.8 7 5 A D H > S+ 0 0 47 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.933 112.3 44.0 -74.2 -48.1 0.3 7.9 48.0 8 6 A N H X S+ 0 0 14 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.753 110.8 56.7 -66.4 -29.5 -3.3 6.7 48.2 9 7 A W H X S+ 0 0 5 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.884 106.7 48.6 -68.4 -40.8 -3.7 7.4 44.4 10 8 A E H X S+ 0 0 95 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.815 111.3 50.2 -67.0 -35.2 -0.7 5.0 43.7 11 9 A T H X S+ 0 0 56 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.868 108.3 53.2 -68.8 -41.0 -2.4 2.3 46.0 12 10 A L H X S+ 0 0 1 -4,-1.8 4,-1.1 1,-0.2 -2,-0.2 0.845 113.7 42.5 -62.0 -39.2 -5.7 2.8 44.1 13 11 A N H X S+ 0 0 42 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.877 111.4 53.6 -75.8 -45.2 -3.9 2.2 40.7 14 12 A D H X S+ 0 0 101 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.877 111.8 44.6 -60.5 -43.1 -1.7 -0.8 41.9 15 13 A N H < S+ 0 0 23 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.868 111.6 53.6 -69.3 -36.9 -4.7 -2.8 43.2 16 14 A L H X S+ 0 0 6 -4,-1.1 4,-0.7 1,-0.2 3,-0.4 0.766 107.1 52.6 -67.1 -28.7 -6.7 -1.9 40.0 17 15 A K H X S+ 0 0 40 -4,-1.5 2,-0.7 1,-0.2 4,-0.6 0.791 104.9 56.2 -75.5 -32.1 -3.7 -3.4 38.0 18 16 A V H < S+ 0 0 73 -4,-1.1 -1,-0.2 1,-0.2 13,-0.1 -0.532 97.7 65.3-100.8 59.5 -3.8 -6.6 40.0 19 17 A I H 4 S+ 0 0 2 -2,-0.7 3,-0.2 -3,-0.4 -1,-0.2 0.355 104.2 37.5-138.7 -54.5 -7.5 -7.3 39.1 20 18 A E H < S+ 0 0 84 -4,-0.7 -2,-0.1 1,-0.2 -3,-0.1 0.697 127.6 40.9 -75.6 -20.2 -7.5 -7.9 35.3 21 19 A K S < S+ 0 0 167 -4,-0.6 -1,-0.2 2,-0.0 2,-0.1 0.428 89.4 121.4-103.9 -6.4 -4.1 -9.8 35.9 22 20 A A - 0 0 17 -3,-0.2 -3,-0.1 1,-0.1 6,-0.0 -0.408 44.8-166.2 -66.4 130.8 -5.3 -11.5 39.1 23 21 A D + 0 0 137 -2,-0.1 2,-0.4 -5,-0.0 -1,-0.1 0.359 69.7 67.5 -97.5 0.3 -5.1 -15.4 39.0 24 22 A N > - 0 0 77 1,-0.1 4,-0.8 0, 0.0 -2,-0.0 -0.971 67.0-147.5-126.9 140.4 -7.3 -15.8 42.2 25 23 A A H > S+ 0 0 53 -2,-0.4 4,-1.2 1,-0.2 59,-0.1 0.756 106.5 54.7 -71.7 -27.5 -11.0 -15.0 42.8 26 24 A A H > S+ 0 0 74 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.800 101.6 58.1 -73.2 -32.8 -10.1 -14.2 46.5 27 25 A Q H > S+ 0 0 71 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.787 102.1 55.0 -66.8 -32.2 -7.4 -11.7 45.2 28 26 A V H X S+ 0 0 2 -4,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.937 111.5 42.9 -65.5 -49.9 -10.2 -9.8 43.3 29 27 A K H X S+ 0 0 94 -4,-1.2 4,-1.2 1,-0.2 -2,-0.2 0.807 116.3 50.7 -64.5 -33.7 -12.2 -9.4 46.6 30 28 A D H X S+ 0 0 86 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.875 111.0 46.2 -72.2 -43.7 -8.9 -8.6 48.4 31 29 A A H X S+ 0 0 3 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.841 112.5 50.9 -69.4 -36.5 -7.9 -5.8 45.8 32 30 A L H X S+ 0 0 0 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.814 110.2 50.4 -68.3 -35.3 -11.4 -4.3 45.9 33 31 A T H X S+ 0 0 74 -4,-1.2 4,-1.4 2,-0.2 -2,-0.2 0.924 110.2 48.1 -68.7 -49.0 -11.3 -4.1 49.8 34 32 A K H X S+ 0 0 91 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.809 111.8 51.5 -61.9 -33.8 -7.9 -2.4 50.0 35 33 A M H X S+ 0 0 1 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.825 103.1 58.4 -71.1 -37.1 -9.1 0.2 47.3 36 34 A R H X S+ 0 0 84 -4,-1.3 4,-1.3 2,-0.2 -2,-0.2 0.876 111.9 41.1 -60.7 -40.3 -12.3 1.0 49.3 37 35 A A H X S+ 0 0 61 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.917 112.4 54.1 -73.3 -45.2 -10.1 2.0 52.3 38 36 A A H X S+ 0 0 5 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.792 109.2 49.8 -59.6 -32.7 -7.5 3.9 50.0 39 37 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.873 106.6 53.9 -74.3 -40.7 -10.3 5.9 48.5 40 38 A L H X S+ 0 0 58 -4,-1.3 4,-0.7 2,-0.2 -2,-0.2 0.789 111.9 45.1 -66.3 -29.5 -11.8 7.0 51.9 41 39 A D H X S+ 0 0 23 -4,-1.5 4,-0.8 2,-0.2 -1,-0.2 0.821 112.5 50.9 -81.8 -33.5 -8.4 8.3 53.0 42 40 A A H >< S+ 0 0 0 -4,-1.3 3,-0.5 1,-0.2 -2,-0.2 0.862 105.2 57.6 -68.5 -35.5 -7.9 10.1 49.7 43 41 A Q H 3< S+ 0 0 37 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.799 102.6 54.7 -62.3 -34.2 -11.5 11.6 50.1 44 42 A K H 3< S+ 0 0 138 -4,-0.7 -1,-0.2 -3,-0.1 -2,-0.2 0.757 95.5 90.1 -69.0 -30.9 -10.2 13.2 53.5 45 43 A A S << S- 0 0 14 -4,-0.8 -41,-0.0 -3,-0.5 -43,-0.0 -0.226 73.3-133.6 -70.3 156.7 -7.3 14.8 51.7 46 44 A T - 0 0 81 -45,-0.1 -41,-0.1 17,-0.0 5,-0.1 -0.966 21.9-127.8-112.9 117.8 -7.3 18.3 50.1 47 45 A P > - 0 0 0 0, 0.0 3,-1.7 0, 0.0 61,-0.1 -0.429 15.0-127.7 -64.5 140.2 -5.8 18.6 46.6 48 46 A P G > S+ 0 0 93 0, 0.0 3,-1.0 0, 0.0 4,-0.3 0.792 110.7 63.5 -59.0 -25.2 -3.1 21.3 46.2 49 47 A K G 3 S+ 0 0 92 58,-0.6 3,-0.1 1,-0.2 59,-0.1 0.756 113.8 32.8 -65.0 -28.9 -5.1 22.6 43.2 50 48 A L G < S+ 0 0 9 -3,-1.7 -1,-0.2 57,-0.2 3,-0.2 -0.017 83.3 107.1-119.0 28.0 -8.0 23.4 45.6 51 49 A E S < S+ 0 0 142 -3,-1.0 -2,-0.1 1,-0.2 -1,-0.1 0.785 83.0 52.5 -76.5 -24.9 -6.1 24.3 48.8 52 50 A D S S+ 0 0 122 -4,-0.3 -1,-0.2 -3,-0.1 2,-0.2 0.643 99.1 88.9 -76.8 -21.5 -7.1 28.0 48.2 53 51 A K S S- 0 0 79 -3,-0.2 -3,-0.1 1,-0.1 0, 0.0 -0.545 87.9-108.3 -82.2 145.2 -10.8 26.8 48.0 54 52 A S > - 0 0 67 -2,-0.2 3,-1.7 1,-0.1 6,-0.4 -0.338 28.6-117.9 -64.1 149.1 -13.2 26.4 50.9 55 53 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.763 117.5 50.5 -66.5 -18.6 -13.9 22.8 51.9 56 54 A D T 3 S+ 0 0 108 4,-0.1 -2,-0.0 5,-0.0 -3,-0.0 0.205 85.9 122.1 -99.3 13.0 -17.6 23.5 51.1 57 55 A S S <> S- 0 0 14 -3,-1.7 4,-2.4 1,-0.1 5,-0.2 -0.348 79.0-109.9 -71.0 155.8 -16.8 24.9 47.6 58 56 A P H > S+ 0 0 99 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.864 119.3 52.5 -52.2 -38.5 -18.3 23.3 44.4 59 57 A E H > S+ 0 0 70 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.900 112.1 41.6 -64.2 -50.0 -14.8 22.0 43.5 60 58 A M H > S+ 0 0 13 -6,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.874 114.8 52.9 -68.2 -38.2 -14.1 20.3 46.9 61 59 A K H X S+ 0 0 113 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.849 111.4 46.1 -64.1 -38.9 -17.7 18.9 47.1 62 60 A D H X S+ 0 0 67 -4,-1.9 4,-1.7 -5,-0.2 -2,-0.2 0.853 109.8 54.1 -74.3 -35.9 -17.2 17.4 43.6 63 61 A F H X S+ 0 0 0 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.933 113.9 41.4 -60.3 -49.0 -13.8 15.9 44.5 64 62 A R H X S+ 0 0 68 -4,-2.2 4,-1.1 1,-0.2 3,-0.2 0.838 111.3 56.7 -67.4 -37.2 -15.3 14.1 47.5 65 63 A H H X S+ 0 0 109 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.836 100.5 59.2 -63.9 -33.8 -18.4 13.1 45.5 66 64 A G H X S+ 0 0 2 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.870 105.9 47.4 -60.6 -39.5 -16.1 11.4 43.0 67 65 A F H X S+ 0 0 0 -4,-1.0 4,-2.3 -3,-0.2 -1,-0.2 0.748 108.1 56.8 -73.5 -25.6 -14.8 9.2 45.9 68 66 A D H X S+ 0 0 88 -4,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.913 111.3 41.1 -71.0 -44.5 -18.5 8.5 46.9 69 67 A I H X S+ 0 0 65 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.866 115.2 53.2 -71.7 -32.8 -19.4 7.2 43.4 70 68 A L H X S+ 0 0 0 -4,-1.9 4,-0.8 2,-0.2 3,-0.2 0.922 114.0 40.8 -65.5 -45.5 -15.9 5.3 43.4 71 69 A V H X S+ 0 0 15 -4,-2.3 4,-1.9 1,-0.2 3,-0.4 0.885 113.7 55.7 -66.0 -42.2 -16.7 3.6 46.8 72 70 A G H X S+ 0 0 27 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.722 108.4 46.3 -62.7 -29.6 -20.3 3.0 45.6 73 71 A Q H X S+ 0 0 13 -4,-1.4 4,-1.0 -3,-0.2 -1,-0.2 0.640 107.0 58.2 -87.7 -20.4 -19.2 1.2 42.5 74 72 A I H X S+ 0 0 0 -4,-0.8 4,-2.7 -3,-0.4 3,-0.3 0.900 104.2 52.5 -72.8 -40.6 -16.7 -0.9 44.6 75 73 A D H X S+ 0 0 66 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.843 109.1 49.6 -61.1 -36.8 -19.8 -2.1 46.7 76 74 A D H < S+ 0 0 73 -4,-0.7 4,-0.5 1,-0.2 -1,-0.2 0.794 116.9 41.8 -70.7 -31.1 -21.4 -3.1 43.3 77 75 A A H X S+ 0 0 0 -4,-1.0 4,-1.6 -3,-0.3 -2,-0.2 0.720 109.6 56.7 -88.2 -28.7 -18.2 -5.0 42.4 78 76 A L H X S+ 0 0 23 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.857 104.9 51.9 -72.2 -37.1 -17.5 -6.5 45.9 79 77 A K H X S+ 0 0 117 -4,-1.4 4,-0.7 2,-0.2 -1,-0.2 0.802 112.4 46.5 -68.9 -29.9 -21.0 -8.2 45.9 80 78 A L H 4>S+ 0 0 31 -4,-0.5 5,-2.2 2,-0.2 -2,-0.2 0.831 111.9 50.8 -78.4 -35.0 -20.2 -9.8 42.5 81 79 A A H ><5S+ 0 0 11 -4,-1.6 3,-0.8 1,-0.2 -2,-0.2 0.823 110.7 48.9 -69.0 -35.1 -16.7 -10.8 43.6 82 80 A N H 3<5S+ 0 0 95 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.721 107.3 56.0 -75.8 -24.3 -18.2 -12.5 46.7 83 81 A E T 3<5S- 0 0 125 -4,-0.7 -1,-0.2 -5,-0.1 -2,-0.2 0.301 119.2-112.5 -89.4 6.4 -20.8 -14.3 44.4 84 82 A G T < 5S+ 0 0 51 -3,-0.8 2,-1.7 1,-0.2 3,-0.2 0.487 72.6 139.8 75.0 7.8 -17.9 -15.8 42.4 85 83 A K >< + 0 0 75 -5,-2.2 4,-2.1 1,-0.2 -1,-0.2 -0.593 16.2 163.9 -84.9 77.7 -18.7 -13.7 39.3 86 84 A V H > S+ 0 0 53 -2,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.884 74.6 51.0 -60.8 -45.8 -15.0 -13.0 38.4 87 85 A K H > S+ 0 0 185 -3,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.824 114.7 43.5 -63.6 -36.0 -15.9 -11.9 34.8 88 86 A E H > S+ 0 0 106 2,-0.2 4,-1.5 1,-0.1 -2,-0.2 0.800 112.3 53.2 -79.3 -32.0 -18.6 -9.5 36.1 89 87 A A H X S+ 0 0 1 -4,-2.1 4,-1.0 -9,-0.2 -2,-0.2 0.852 111.6 44.7 -70.4 -38.5 -16.3 -8.2 38.9 90 88 A Q H X S+ 0 0 46 -4,-2.1 4,-0.5 2,-0.2 -2,-0.2 0.829 112.3 52.5 -74.7 -33.5 -13.5 -7.3 36.5 91 89 A A H < S+ 0 0 70 -4,-1.1 3,-0.4 1,-0.2 4,-0.3 0.826 111.1 46.7 -69.7 -34.7 -16.0 -5.7 34.0 92 90 A A H >< S+ 0 0 20 -4,-1.5 3,-0.6 1,-0.2 4,-0.3 0.745 105.1 61.9 -75.9 -27.4 -17.4 -3.5 36.9 93 91 A A H 3X S+ 0 0 3 -4,-1.0 4,-0.8 1,-0.2 -1,-0.2 0.630 94.3 61.9 -72.5 -18.8 -13.8 -2.6 37.9 94 92 A E H 3X S+ 0 0 94 -4,-0.5 4,-0.8 -3,-0.4 -1,-0.2 0.710 96.9 58.1 -79.4 -22.1 -13.2 -1.0 34.4 95 93 A Q H <> S+ 0 0 105 -3,-0.6 4,-1.5 -4,-0.3 -1,-0.2 0.645 100.0 59.1 -77.8 -17.8 -16.0 1.5 35.4 96 94 A L H > S+ 0 0 0 -4,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.845 99.3 56.0 -75.3 -38.1 -13.8 2.4 38.4 97 95 A K H X S+ 0 0 52 -4,-0.8 4,-2.1 1,-0.2 -2,-0.2 0.811 108.2 49.3 -60.5 -34.6 -11.0 3.4 35.9 98 96 A T H X S+ 0 0 23 -4,-0.8 4,-3.3 2,-0.2 5,-0.5 0.913 111.1 47.6 -70.1 -47.1 -13.6 5.8 34.4 99 97 A T H X>S+ 0 0 0 -4,-1.5 4,-1.4 2,-0.2 5,-1.1 0.892 115.6 45.7 -63.0 -42.3 -14.5 7.3 37.8 100 98 A R H X>S+ 0 0 20 -4,-2.6 5,-2.8 3,-0.2 4,-1.1 0.979 122.9 34.1 -61.8 -59.5 -10.8 7.7 38.8 101 99 A N H <5S+ 0 0 8 -4,-2.1 17,-0.8 3,-0.2 -2,-0.2 0.863 125.7 37.2 -66.8 -48.5 -9.8 9.2 35.4 102 100 A A H <5S+ 0 0 3 -4,-3.3 -3,-0.2 -5,-0.2 -1,-0.2 0.790 130.3 22.1 -83.0 -31.4 -12.9 11.2 34.4 103 101 A Y H <5S+ 0 0 85 -4,-1.4 -3,-0.2 -5,-0.5 -37,-0.2 0.766 132.8 24.9-109.3 -30.3 -14.1 12.6 37.8 104 102 A I T >< - 0 0 35 -2,-0.2 3,-2.5 293,-0.1 296,-0.1 -0.991 45.7 -60.4-128.8 133.2 -6.0 19.8 32.5 114 195 A V T 3 S+ 0 0 55 1,-0.4 3,-0.1 -2,-0.4 20,-0.1 -0.162 125.0 33.0 -46.4 132.0 -9.8 20.9 32.6 115 196 A P T 3 S+ 0 0 0 0, 0.0 20,-2.5 0, 0.0 -1,-0.4 -0.930 118.1 69.6 -87.3 18.4 -11.7 20.8 30.3 116 197 A L E < -A 134 0A 3 -3,-2.5 2,-0.3 18,-0.2 18,-0.2 -0.636 66.9-167.3 -92.5 155.1 -9.6 17.8 29.2 117 198 A V E -A 133 0A 3 16,-2.6 16,-3.1 -2,-0.2 -15,-0.2 -0.986 28.8 -95.1-144.1 143.5 -9.9 14.6 31.2 118 199 A R E +A 132 0A 51 -17,-0.8 2,-0.3 -2,-0.3 14,-0.2 -0.366 47.1 168.5 -63.0 135.8 -7.8 11.4 31.3 119 200 A T - 0 0 3 12,-2.7 12,-0.1 -18,-0.1 -21,-0.1 -0.942 34.9-156.2-152.6 134.9 -9.1 8.5 29.2 120 201 A D S S+ 0 0 77 -2,-0.3 3,-0.1 97,-0.0 12,-0.1 0.287 74.4 99.1 -90.3 2.8 -7.6 5.2 28.1 121 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25.4 10.6 371 453 A G H X S+ 0 0 5 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.863 111.0 50.1 -68.6 -40.5 -56.3 28.8 9.3 372 454 A I H X S+ 0 0 97 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.937 115.0 45.1 -65.6 -41.7 -55.7 30.2 12.8 373 455 A F H X S+ 0 0 11 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.909 114.2 48.8 -67.4 -42.6 -53.7 27.0 13.7 374 456 A G H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.849 114.5 44.3 -64.9 -39.7 -51.8 27.1 10.4 375 457 A F H X S+ 0 0 89 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.858 115.3 49.2 -74.1 -34.9 -50.9 30.8 10.7 376 458 A L H X S+ 0 0 78 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.927 111.9 48.0 -66.4 -46.4 -50.0 30.3 14.4 377 459 A A H X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.881 109.1 54.4 -63.2 -39.8 -47.8 27.2 13.6 378 460 A F H X S+ 0 0 57 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.886 107.4 51.1 -58.6 -45.2 -46.1 29.2 10.8 379 461 A G H X S+ 0 0 29 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.868 113.4 44.1 -59.9 -41.4 -45.2 32.0 13.3 380 462 A F H X S+ 0 0 32 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.900 112.8 49.7 -72.6 -43.9 -43.6 29.4 15.7 381 463 A V H X S+ 0 0 9 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.901 110.2 53.3 -61.5 -40.1 -41.7 27.5 13.0 382 464 A L H X S+ 0 0 75 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.852 109.4 47.3 -62.1 -38.6 -40.4 30.9 11.8 383 465 A I H X S+ 0 0 64 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.935 112.2 50.7 -66.6 -45.5 -39.1 31.7 15.4 384 466 A T H X S+ 0 0 5 -4,-2.4 4,-2.0 1,-0.2 3,-0.3 0.925 111.9 47.9 -53.7 -50.3 -37.6 28.1 15.4 385 467 A F H X S+ 0 0 49 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.891 108.5 53.1 -60.5 -48.3 -35.8 28.8 12.0 386 468 A S H X S+ 0 0 65 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.823 110.8 48.2 -56.8 -35.7 -34.5 32.3 13.2 387 469 A C H X S+ 0 0 9 -4,-1.7 4,-1.5 -3,-0.3 -1,-0.2 0.846 112.4 46.1 -75.8 -38.7 -32.9 30.5 16.3 388 470 A H H X S+ 0 0 10 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.798 112.1 54.7 -71.7 -28.4 -31.3 27.7 14.2 389 471 A F H X S+ 0 0 82 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.875 104.9 51.0 -70.7 -41.6 -30.1 30.5 11.8 390 472 A Y H X S+ 0 0 93 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.933 112.2 48.2 -58.4 -47.0 -28.4 32.5 14.6 391 473 A D H X S+ 0 0 3 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.863 112.8 47.2 -61.7 -41.6 -26.6 29.2 15.6 392 474 A F H < S+ 0 0 78 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.861 111.8 51.2 -65.9 -43.6 -25.6 28.5 12.0 393 475 A F H < S+ 0 0 153 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.708 123.6 28.4 -67.3 -25.6 -24.3 32.1 11.5 394 476 A N H >X S+ 0 0 42 -4,-1.2 4,-1.8 -3,-0.2 3,-0.5 0.595 93.7 84.8-116.9 -14.4 -22.2 31.9 14.7 395 477 A Q H 3X S+ 0 0 16 -4,-2.2 4,-3.4 1,-0.2 5,-0.3 0.813 81.6 64.9 -69.1 -27.7 -21.1 28.3 15.5 396 478 A A H 3> S+ 0 0 28 -4,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.938 110.4 42.0 -55.9 -39.4 -17.9 28.4 13.2 397 479 A E H <> S+ 0 0 89 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.942 114.0 50.3 -67.8 -50.0 -16.7 31.1 15.7 398 480 A W H X S+ 0 0 14 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.867 110.0 51.2 -55.4 -42.6 -17.9 29.2 18.8 399 481 A E H X S+ 0 0 53 -4,-3.4 4,-2.5 2,-0.2 -1,-0.2 0.905 111.6 47.2 -62.0 -43.2 -16.2 26.0 17.5 400 482 A R H X S+ 0 0 122 -4,-1.7 4,-2.5 -5,-0.3 -2,-0.2 0.865 113.3 48.4 -64.1 -41.8 -12.9 28.0 17.1 401 483 A S H X S+ 0 0 2 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.873 111.9 49.9 -66.7 -39.4 -13.3 29.6 20.6 402 484 A F H X S+ 0 0 30 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.956 114.3 43.9 -62.0 -52.9 -14.0 26.1 22.1 403 485 A R H X S+ 0 0 106 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.924 114.5 48.9 -58.7 -51.7 -10.8 24.6 20.4 404 486 A D H X S+ 0 0 60 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.851 114.1 46.7 -58.2 -41.2 -8.6 27.6 21.3 405 487 A Y H X S+ 0 0 38 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.955 113.9 47.1 -65.5 -52.2 -9.8 27.5 25.0 406 488 A V H X S+ 0 0 0 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.905 115.9 44.0 -56.6 -50.9 -9.3 23.7 25.3 407 489 A L H X S+ 0 0 47 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.799 108.5 58.9 -66.4 -33.1 -5.8 23.6 23.7 408 490 A d H < S+ 0 0 42 -4,-1.5 -1,-0.2 3,-0.3 -2,-0.2 0.903 103.4 51.3 -62.3 -43.7 -4.7 26.7 25.8 409 491 A Q H < S+ 0 0 72 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.728 113.7 46.5 -64.7 -25.1 -5.4 24.8 29.0 410 492 A A H < 0 0 49 -4,-0.8 -2,-0.2 -3,-0.2 -1,-0.2 0.927 360.0 360.0 -80.1 -51.0 -3.2 22.0 27.6 411 493 A N < 0 0 125 -4,-2.8 -3,-0.3 0, 0.0 -2,-0.1 0.194 360.0 360.0-167.9 360.0 -0.3 24.3 26.4 412 ! 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 0.0 413 507 A d 0 0 100 0, 0.0 2,-0.3 0, 0.0 -8,-0.1 0.000 360.0 360.0 360.0-155.9 -7.2 31.1 28.7 414 508 A E - 0 0 79 -13,-0.0 2,-0.6 0, 0.0 -6,-0.1 -0.813 360.0-105.4-119.5 158.4 -10.7 32.8 28.5 415 509 A I - 0 0 58 -2,-0.3 3,-0.1 1,-0.2 -13,-0.1 -0.835 25.9-160.4 -89.6 116.4 -13.7 31.9 26.2 416 510 A K S S- 0 0 151 -2,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.911 71.3 -17.9 -62.3 -47.4 -13.8 34.5 23.4 417 511 A N - 0 0 50 -20,-0.1 -1,-0.2 -19,-0.1 -16,-0.0 -0.939 65.3-174.1-154.2 163.3 -17.5 33.8 22.6 418 512 A R - 0 0 92 -2,-0.3 -20,-0.1 -3,-0.1 -19,-0.0 -0.959 38.6 -68.2-156.1 165.1 -19.9 31.0 23.2 419 513 A P - 0 0 29 0, 0.0 2,-0.5 0, 0.0 -28,-0.0 -0.161 48.6-114.9 -58.8 153.9 -23.5 29.9 22.2 420 514 A S > - 0 0 29 1,-0.1 4,-1.1 2,-0.0 -29,-0.0 -0.833 18.7-165.9 -93.3 121.5 -26.5 31.9 23.5 421 515 A L H > S+ 0 0 28 -2,-0.5 4,-1.8 2,-0.2 -1,-0.1 0.691 90.6 60.2 -77.7 -21.2 -28.8 29.9 25.9 422 516 A L H > S+ 0 0 116 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.914 102.3 50.4 -68.7 -46.2 -31.5 32.6 25.5 423 517 A V H > S+ 0 0 23 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.902 112.2 50.0 -57.3 -39.9 -31.7 32.0 21.8 424 518 A E H X S+ 0 0 35 -4,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.846 108.8 50.1 -66.6 -39.9 -32.0 28.3 22.8 425 519 A K H X S+ 0 0 45 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.875 110.7 49.7 -66.8 -39.4 -34.9 29.0 25.3 426 520 A I H X S+ 0 0 71 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.850 111.8 49.9 -65.8 -37.1 -36.7 31.1 22.5 427 521 A N H X S+ 0 0 11 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.964 113.9 43.8 -64.8 -51.0 -36.2 28.0 20.2 428 522 A L H X S+ 0 0 12 -4,-2.6 4,-2.6 1,-0.2 5,-0.4 0.817 111.0 56.2 -64.5 -32.8 -37.6 25.6 22.9 429 523 A F H X S+ 0 0 93 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.930 115.2 36.5 -62.9 -49.7 -40.4 28.1 23.6 430 524 A A H X S+ 0 0 0 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.737 119.2 50.6 -75.2 -28.8 -41.6 28.2 19.9 431 525 A M H X S+ 0 0 19 -4,-2.2 4,-1.2 2,-0.2 3,-0.5 0.971 121.3 31.1 -74.3 -57.2 -40.8 24.4 19.4 432 526 A F H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.836 115.7 63.5 -66.7 -34.6 -42.7 23.1 22.5 433 527 A G H X S+ 0 0 8 -4,-1.8 4,-3.3 -5,-0.4 -1,-0.2 0.784 98.4 53.7 -58.7 -34.0 -45.2 26.1 22.1 434 528 A T H X S+ 0 0 10 -4,-0.9 4,-3.5 -3,-0.5 5,-0.3 0.939 109.5 49.0 -66.3 -45.8 -46.3 24.7 18.7 435 529 A G H X S+ 0 0 0 -4,-1.2 4,-1.1 2,-0.2 -2,-0.2 0.896 116.0 42.3 -56.7 -45.7 -47.0 21.4 20.5 436 530 A I H < S+ 0 0 38 -4,-2.3 4,-0.4 2,-0.2 -2,-0.2 0.915 118.2 45.9 -70.5 -45.0 -49.0 23.2 23.2 437 531 A A H >< S+ 0 0 14 -4,-3.3 3,-1.8 1,-0.2 -2,-0.2 0.955 113.5 47.4 -63.5 -52.0 -50.8 25.6 20.7 438 532 A M H >< S+ 0 0 1 -4,-3.5 3,-1.1 1,-0.3 -1,-0.2 0.741 104.7 63.4 -62.4 -23.2 -51.7 22.7 18.2 439 533 A S G >< S+ 0 0 0 -4,-1.1 3,-0.9 -5,-0.3 -1,-0.3 0.627 86.7 71.3 -74.2 -16.7 -53.0 20.6 21.2 440 534 A T G X S+ 0 0 39 -3,-1.8 3,-1.4 -4,-0.4 -1,-0.2 0.490 71.9 90.6 -79.0 -2.4 -55.7 23.3 21.8 441 535 A W G < S+ 0 0 24 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.781 89.8 46.4 -57.6 -32.0 -57.4 22.0 18.6 442 536 A V G < S+ 0 0 10 -3,-0.9 2,-2.0 -4,-0.1 -1,-0.3 0.474 82.5 105.5 -92.4 -3.7 -59.3 19.6 20.9 443 537 A W < + 0 0 146 -3,-1.4 2,-0.2 4,-0.1 -1,-0.1 -0.480 57.7 109.4 -83.5 75.7 -60.2 22.4 23.5 444 538 A T S >> S- 0 0 55 -2,-2.0 4,-0.8 1,-0.0 3,-0.6 -0.823 84.7-101.0-135.2 174.5 -63.9 22.7 22.5 445 539 A K H >> S+ 0 0 73 -2,-0.2 4,-1.5 1,-0.2 3,-0.6 0.866 118.5 64.2 -68.3 -36.8 -67.4 21.8 23.9 446 540 A A H 3> S+ 0 0 60 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.766 96.9 57.3 -57.2 -29.8 -67.5 18.7 21.7 447 541 A T H <> S+ 0 0 9 -3,-0.6 4,-2.5 -5,-0.2 -1,-0.2 0.879 102.9 52.5 -69.6 -41.0 -64.4 17.3 23.6 448 542 A L H > - 0 0 76 -2,-0.2 4,-2.4 1,-0.1 3,-0.5 -0.449 28.9-121.9 -73.2 144.4 17.5 24.2 -20.5 461 3 B L H 3> S+ 0 0 8 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.849 112.8 55.9 -51.8 -42.8 14.0 24.3 -18.7 462 4 B E H 3> S+ 0 0 104 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.868 110.5 44.8 -60.1 -41.0 15.7 25.0 -15.3 463 5 B D H <> S+ 0 0 94 -3,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.920 111.5 52.2 -70.2 -44.0 17.5 28.1 -16.8 464 6 B N H X S+ 0 0 8 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.881 110.0 50.1 -57.7 -40.7 14.3 29.3 -18.5 465 7 B W H X S+ 0 0 32 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.869 111.3 47.6 -64.8 -41.7 12.5 29.0 -15.0 466 8 B E H X S+ 0 0 95 -4,-1.7 4,-3.2 2,-0.2 -2,-0.2 0.863 107.7 55.8 -69.9 -34.9 15.3 31.0 -13.3 467 9 B T H X S+ 0 0 44 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.890 108.2 49.4 -61.5 -40.3 15.1 33.6 -16.2 468 10 B L H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.949 113.6 45.5 -63.2 -47.6 11.4 33.9 -15.3 469 11 B N H X S+ 0 0 52 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.925 115.1 47.7 -57.9 -51.7 12.3 34.3 -11.6 470 12 B D H X S+ 0 0 91 -4,-3.2 4,-1.3 1,-0.2 -2,-0.2 0.874 113.6 45.1 -57.9 -49.2 15.1 36.9 -12.3 471 13 B N H X S+ 0 0 9 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.825 107.7 58.8 -70.7 -30.0 13.0 39.1 -14.7 472 14 B L H X S+ 0 0 7 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.854 105.1 51.1 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4,-3.3 -5,-0.4 -1,-0.2 0.795 98.8 54.8 -61.8 -35.3 -30.9 0.8 -18.6 885 528 B T H < S+ 0 0 13 -4,-3.3 3,-1.1 1,-0.2 -2,-0.2 0.922 112.7 48.7 -62.8 -45.9 -36.4 0.7 -20.5 889 532 B M H >< S+ 0 0 1 -4,-3.6 3,-1.2 1,-0.3 -1,-0.2 0.781 103.9 61.7 -65.2 -29.3 -38.7 3.5 -19.1 890 533 B S H >< S+ 0 0 0 -4,-1.1 3,-1.2 -5,-0.3 -1,-0.3 0.716 87.5 72.6 -68.7 -23.0 -38.4 5.3 -22.5 891 534 B T G X< S+ 0 0 37 -3,-1.1 3,-0.6 -4,-0.7 -1,-0.3 0.433 72.8 88.5 -73.8 2.4 -40.0 2.2 -24.3 892 535 B W G < S+ 0 0 24 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.1 0.836 91.5 44.1 -63.9 -35.1 -43.4 3.4 -22.6 893 536 B V G < S+ 0 0 7 -3,-1.2 2,-2.3 -4,-0.1 5,-0.3 0.458 84.4 104.4 -89.8 -5.0 -44.0 5.6 -25.7 894 537 B W < + 0 0 146 -3,-0.6 2,-0.3 -4,-0.2 -1,-0.1 -0.389 58.4 115.2 -81.0 65.6 -42.8 2.7 -28.1 895 538 B T S >> S- 0 0 50 -2,-2.3 3,-1.0 1,-0.1 4,-0.7 -0.848 82.7-109.0-128.7 164.3 -46.5 2.0 -29.2 896 539 B K H >> S+ 0 0 71 -2,-0.3 4,-0.9 1,-0.2 3,-0.6 0.814 115.6 66.8 -61.8 -31.2 -48.5 2.2 -32.4 897 540 B A H 3> S+ 0 0 64 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.766 98.0 50.2 -61.1 -32.7 -50.3 5.2 -30.8 898 541 B T H <> S+ 0 0 18 -3,-1.0 4,-1.8 -5,-0.3 -1,-0.2 0.708 98.7 64.5 -84.2 -19.1 -47.2 7.3 -30.8 899 542 B L H < S+ 0 0 43 -4,-1.2 3,-1.0 1,-0.2 -2,-0.2 0.826 108.8 50.6 -74.7 -36.2 -47.0 16.5 -35.7 906 549 B W H 3< S+ 0 0 228 -4,-1.5 3,-0.3 1,-0.2 -2,-0.2 0.803 106.2 55.7 -70.1 -33.2 -45.7 16.1 -39.3 907 550 B C T 3< S+ 0 0 86 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.077 86.5 85.9 -88.4 21.7 -49.1 17.2 -40.7 908 551 B R < 0 0 82 -3,-1.0 -1,-0.2 -5,-0.1 -2,-0.1 -0.199 360.0 360.0-114.3 37.6 -48.9 20.5 -38.6 909 552 B L 0 0 140 -3,-0.3 -2,-0.1 0, 0.0 -3,-0.1 -0.296 360.0 360.0-147.8 360.0 -46.8 22.5 -41.2