==== 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 SIGNALING PROTEIN 31-OCT-07 3B7Z . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN YKL091C; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR E.A.ORTLUND,G.SCHAAF,M.R.REDINBO,V.BANKAITIS . 307 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15493.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.6 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 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 . 10 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 16.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 36.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 1 1 2 1 1 1 1 0 0 0 2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 1 0 1 1 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 . 1 0 0 1 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 1 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 4 A S > 0 0 108 0, 0.0 3,-1.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0-179.4 -44.9 -1.5 25.7 2 5 A I G > + 0 0 55 1,-0.2 3,-3.3 2,-0.2 4,-0.2 0.813 360.0 79.1 -67.1 -29.0 -43.4 -2.8 22.4 3 6 A L G > S+ 0 0 40 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.752 82.8 64.1 -50.7 -27.3 -41.8 -5.6 24.5 4 7 A D G < S+ 0 0 134 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.533 93.7 63.1 -76.5 -4.9 -45.2 -7.3 24.4 5 8 A T G < S+ 0 0 57 -3,-3.3 -1,-0.2 1,-0.1 -2,-0.2 0.382 108.2 33.6-100.9 2.5 -44.9 -7.7 20.6 6 9 A Y S < S- 0 0 31 -3,-1.1 -1,-0.1 -4,-0.2 157,-0.1 -0.991 97.8 -75.4-154.0 152.6 -41.8 -9.9 20.6 7 10 A P - 0 0 36 0, 0.0 162,-0.2 0, 0.0 160,-0.1 -0.114 31.4-173.1 -48.2 135.6 -40.2 -12.7 22.8 8 11 A Q + 0 0 47 160,-0.1 2,-0.4 2,-0.1 159,-0.1 0.293 64.4 75.0-113.9 5.0 -38.6 -11.6 26.0 9 12 A I S S- 0 0 106 11,-0.1 159,-2.1 39,-0.0 11,-0.2 -0.972 79.0-125.6-121.0 134.9 -37.1 -14.9 26.9 10 13 A C - 0 0 21 9,-2.4 159,-0.1 -2,-0.4 -2,-0.1 -0.070 43.1 -71.6 -69.0 174.2 -34.0 -16.4 25.2 11 14 A S > - 0 0 24 157,-0.4 3,-1.8 1,-0.1 -1,-0.2 -0.195 49.0-104.1 -63.0 160.1 -33.8 -19.8 23.6 12 15 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.598 119.2 62.5 -63.4 -9.5 -33.8 -22.9 25.9 13 16 A N T 3 S+ 0 0 137 2,-0.1 -2,-0.0 0, 0.0 -3,-0.0 0.588 76.2 115.7 -91.3 -13.1 -30.0 -23.2 25.2 14 17 A A S < S- 0 0 24 -3,-1.8 3,-0.1 1,-0.1 4,-0.1 -0.242 71.1-109.1 -59.4 144.3 -29.1 -19.9 26.7 15 18 A L > - 0 0 132 1,-0.1 3,-1.1 2,-0.1 6,-0.2 -0.358 43.3 -85.0 -73.8 152.3 -26.8 -19.9 29.8 16 19 A P T 3 S+ 0 0 71 0, 0.0 6,-0.3 0, 0.0 -1,-0.1 -0.255 114.6 55.0 -56.2 145.1 -28.2 -19.0 33.2 17 20 A G T 3 S+ 0 0 0 4,-2.1 39,-0.2 1,-0.5 5,-0.2 0.237 89.6 101.6 111.1 -9.4 -28.1 -15.2 33.8 18 21 A T B X S-A 21 0A 15 -3,-1.1 3,-2.5 3,-0.8 -1,-0.5 -0.704 90.8 -71.9-105.0 158.4 -30.1 -14.6 30.6 19 22 A P T 3 S+ 0 0 4 0, 0.0 -9,-2.4 0, 0.0 149,-0.1 -0.259 122.0 16.5 -51.6 115.3 -33.8 -13.8 30.3 20 23 A G T 3 S+ 0 0 64 -11,-0.2 2,-0.1 -2,-0.1 -11,-0.1 0.342 118.3 68.0 103.3 -6.5 -35.8 -16.9 31.1 21 24 A N B < +A 18 0A 70 -3,-2.5 -4,-2.1 -6,-0.2 -3,-0.8 -0.535 60.8 142.0-147.4 76.1 -33.0 -18.8 32.8 22 25 A L - 0 0 24 -6,-0.3 2,-0.1 -5,-0.2 -7,-0.0 -0.881 46.0-123.9-118.2 148.6 -31.9 -17.4 36.1 23 26 A T > - 0 0 65 -2,-0.3 4,-2.7 1,-0.1 5,-0.3 -0.370 40.0-101.2 -78.1 168.2 -30.9 -19.0 39.3 24 27 A K H > S+ 0 0 170 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.916 126.0 51.3 -58.0 -41.1 -32.9 -18.0 42.4 25 28 A E H > S+ 0 0 164 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.908 111.4 46.5 -62.2 -43.9 -30.0 -15.8 43.4 26 29 A Q H > S+ 0 0 26 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.945 109.7 51.8 -63.9 -50.5 -29.9 -14.1 40.0 27 30 A E H X S+ 0 0 90 -4,-2.7 4,-1.3 1,-0.3 -1,-0.2 0.837 113.3 47.4 -55.7 -33.3 -33.7 -13.6 39.8 28 31 A E H X S+ 0 0 105 -4,-1.6 4,-2.0 -5,-0.3 -1,-0.3 0.855 109.0 53.4 -75.6 -36.6 -33.3 -12.0 43.2 29 32 A A H X S+ 0 0 8 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.883 107.4 52.4 -64.5 -39.6 -30.4 -9.9 42.1 30 33 A L H X S+ 0 0 6 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.871 109.1 47.7 -65.3 -40.5 -32.4 -8.6 39.1 31 34 A L H X S+ 0 0 98 -4,-1.3 4,-2.5 -5,-0.2 -1,-0.2 0.910 114.2 46.5 -68.4 -41.6 -35.3 -7.4 41.3 32 35 A Q H X S+ 0 0 86 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.910 112.0 52.5 -65.3 -42.1 -33.0 -5.7 43.7 33 36 A F H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.932 112.3 43.7 -59.8 -48.6 -31.1 -4.1 40.8 34 37 A R H X S+ 0 0 53 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.908 110.7 56.1 -65.4 -40.6 -34.3 -2.7 39.3 35 38 A S H X S+ 0 0 73 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.935 107.4 48.9 -55.5 -48.9 -35.6 -1.6 42.6 36 39 A I H X S+ 0 0 42 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.902 114.3 44.8 -58.4 -44.0 -32.4 0.5 43.2 37 40 A L H <>S+ 0 0 0 -4,-1.9 5,-2.2 2,-0.2 3,-0.2 0.891 111.0 53.3 -68.2 -40.1 -32.7 2.1 39.7 38 41 A L H ><5S+ 0 0 91 -4,-3.1 3,-1.1 1,-0.2 -1,-0.2 0.870 107.5 52.6 -61.5 -37.3 -36.4 2.7 40.1 39 42 A E H 3<5S+ 0 0 150 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.786 103.8 56.2 -69.4 -28.3 -35.6 4.5 43.4 40 43 A K T 3<5S- 0 0 107 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.419 122.9-109.8 -83.9 2.4 -33.0 6.6 41.6 41 44 A N T < 5 + 0 0 113 -3,-1.1 2,-0.3 1,-0.3 -3,-0.2 0.777 63.8 154.5 74.6 31.7 -35.9 7.7 39.3 42 45 A Y < + 0 0 56 -5,-2.2 -1,-0.3 1,-0.1 3,-0.1 -0.653 12.9 172.0 -85.3 147.0 -34.8 5.8 36.2 43 46 A K + 0 0 152 -2,-0.3 3,-0.4 1,-0.1 -1,-0.1 0.697 49.4 58.5-122.8 -48.9 -37.7 5.0 33.8 44 47 A E S S+ 0 0 134 1,-0.2 -1,-0.1 2,-0.1 0, 0.0 -0.402 97.2 26.0 -88.9 164.9 -36.5 3.6 30.5 45 48 A R S S+ 0 0 60 1,-0.1 -1,-0.2 -2,-0.1 -3,-0.0 0.861 79.2 123.0 53.9 41.9 -34.3 0.6 29.6 46 49 A L + 0 0 16 -3,-0.4 -1,-0.1 4,-0.1 -2,-0.1 0.191 35.1 122.6-114.2 12.3 -35.3 -1.2 32.8 47 50 A D S > S- 0 0 36 1,-0.1 4,-2.5 4,-0.0 5,-0.3 -0.329 78.1-102.5 -72.5 159.2 -36.7 -4.3 31.1 48 51 A D H > S+ 0 0 75 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.855 118.6 52.8 -49.0 -47.3 -35.3 -7.8 32.0 49 52 A S H > S+ 0 0 9 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.946 113.0 42.3 -57.6 -52.6 -33.2 -8.0 28.8 50 53 A T H > S+ 0 0 11 1,-0.2 4,-1.5 2,-0.2 3,-0.3 0.946 116.9 46.8 -60.9 -50.8 -31.4 -4.7 29.3 51 54 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.851 110.0 52.7 -63.2 -35.9 -30.9 -5.2 33.1 52 55 A L H X S+ 0 0 1 -4,-2.5 4,-3.0 -5,-0.3 -1,-0.2 0.818 103.6 58.9 -70.4 -28.8 -29.6 -8.7 32.7 53 56 A R H X S+ 0 0 14 -4,-1.5 4,-2.0 -3,-0.3 -1,-0.2 0.923 110.2 41.7 -65.0 -43.3 -27.0 -7.5 30.2 54 57 A F H X S+ 0 0 5 -4,-1.5 4,-1.1 2,-0.2 -2,-0.2 0.913 114.6 52.0 -69.1 -41.8 -25.5 -5.1 32.7 55 58 A L H ><>S+ 0 0 0 -4,-2.3 5,-4.0 1,-0.2 3,-0.7 0.934 111.0 47.2 -59.7 -45.5 -25.8 -7.7 35.5 56 59 A R H ><5S+ 0 0 38 -4,-3.0 3,-1.8 1,-0.2 -1,-0.2 0.914 107.5 56.7 -62.4 -41.3 -24.0 -10.3 33.3 57 60 A A H 3<5S+ 0 0 26 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.722 115.6 37.5 -62.2 -22.8 -21.3 -7.7 32.4 58 61 A R T X<5S- 0 0 89 -4,-1.1 3,-2.1 -3,-0.7 -1,-0.3 0.031 116.0-111.1-117.7 25.7 -20.6 -7.2 36.1 59 62 A K T < 5S- 0 0 162 -3,-1.8 -3,-0.2 1,-0.3 3,-0.1 0.820 72.3 -61.6 47.8 38.6 -21.1 -10.9 37.1 60 63 A F T 3 - 0 0 88 -3,-2.1 4,-2.5 -6,-0.4 -1,-0.2 -0.772 35.4-154.1 -83.2 104.8 -22.5 -7.6 41.4 62 65 A I H > S+ 0 0 26 -2,-1.1 4,-2.7 1,-0.2 5,-0.2 0.905 87.2 44.0 -48.1 -57.2 -25.5 -5.3 42.1 63 66 A N H > S+ 0 0 117 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.852 114.3 50.3 -60.9 -36.4 -23.6 -2.2 43.0 64 67 A A H > S+ 0 0 29 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.885 112.7 48.2 -69.1 -35.7 -21.1 -2.6 40.2 65 68 A S H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.882 110.3 50.6 -70.0 -39.7 -24.1 -3.0 37.8 66 69 A V H X S+ 0 0 13 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.926 111.7 48.6 -63.0 -44.2 -25.8 0.0 39.2 67 70 A E H X S+ 0 0 141 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.895 112.6 47.8 -62.6 -42.1 -22.7 2.0 38.7 68 71 A M H X S+ 0 0 13 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.920 113.7 46.3 -66.4 -44.2 -22.3 0.8 35.2 69 72 A F H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.868 111.2 52.8 -66.4 -38.1 -25.9 1.5 34.3 70 73 A V H X S+ 0 0 30 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.931 110.8 45.7 -63.9 -46.6 -25.8 4.9 35.8 71 74 A E H X S+ 0 0 106 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.843 110.4 55.2 -65.3 -34.5 -22.7 6.0 33.9 72 75 A T H X S+ 0 0 3 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.955 108.7 46.8 -63.3 -48.9 -24.3 4.5 30.7 73 76 A E H X S+ 0 0 23 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.878 111.2 53.7 -59.3 -38.7 -27.4 6.7 31.2 74 77 A R H X S+ 0 0 129 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.963 113.0 42.1 -58.7 -54.9 -25.1 9.7 31.8 75 78 A W H X S+ 0 0 35 -4,-2.7 4,-3.5 1,-0.2 6,-0.3 0.901 109.9 57.0 -60.2 -45.2 -23.2 9.1 28.6 76 79 A R H X>S+ 0 0 15 -4,-3.1 5,-1.6 1,-0.2 4,-1.4 0.916 110.4 46.3 -53.8 -43.6 -26.3 8.4 26.6 77 80 A E H <5S+ 0 0 122 -4,-2.1 -2,-0.2 -5,-0.2 3,-0.2 0.959 117.9 39.1 -64.9 -53.5 -27.6 11.8 27.7 78 81 A E H <5S+ 0 0 130 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.845 117.1 50.4 -67.6 -34.9 -24.5 13.8 27.0 79 82 A Y H <5S- 0 0 43 -4,-3.5 -1,-0.2 -5,-0.2 -2,-0.2 0.741 108.6-123.1 -74.9 -23.8 -23.7 11.9 23.8 80 83 A G T ><5 + 0 0 19 -4,-1.4 3,-1.1 -5,-0.3 -3,-0.2 0.654 65.6 140.3 88.3 17.7 -27.2 12.4 22.4 81 84 A A G > < + 0 0 1 -5,-1.6 3,-0.9 -6,-0.3 4,-0.4 0.780 61.6 63.7 -64.9 -28.3 -27.7 8.7 22.0 82 85 A N G 3 S+ 0 0 48 -6,-0.8 -1,-0.2 1,-0.2 4,-0.1 0.712 117.5 27.4 -71.3 -18.2 -31.3 8.8 23.3 83 86 A T G <> S+ 0 0 55 -3,-1.1 4,-2.8 2,-0.1 -1,-0.2 0.048 87.3 114.0-127.2 22.2 -32.3 11.0 20.3 84 87 A I H <> S+ 0 0 9 -3,-0.9 4,-1.8 2,-0.2 5,-0.1 0.901 80.6 44.4 -64.1 -40.8 -29.7 9.8 17.8 85 88 A I H > S+ 0 0 22 -4,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.938 116.0 46.8 -69.0 -46.1 -32.2 8.1 15.4 86 89 A E H > S+ 0 0 110 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.934 113.1 48.8 -59.6 -48.8 -34.6 11.1 15.6 87 90 A D H < S+ 0 0 75 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.872 111.2 50.6 -60.5 -38.3 -31.8 13.6 15.0 88 91 A Y H >< S+ 0 0 5 -4,-1.8 3,-1.5 -5,-0.2 4,-0.3 0.926 108.0 52.8 -64.7 -45.4 -30.5 11.6 12.1 89 92 A E H >< S+ 0 0 86 -4,-2.5 3,-0.8 1,-0.3 4,-0.3 0.863 106.9 52.4 -58.5 -37.0 -34.0 11.5 10.6 90 93 A N T 3< S+ 0 0 133 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.566 121.2 33.3 -76.3 -8.1 -34.3 15.2 10.8 91 94 A N T <> S+ 0 0 88 -3,-1.5 4,-2.3 -4,-0.4 3,-0.3 0.145 82.0 126.4-128.6 13.9 -30.9 15.5 9.0 92 95 A K H <> + 0 0 60 -3,-0.8 4,-3.2 -4,-0.3 5,-0.3 0.862 67.8 55.1 -41.1 -57.3 -31.3 12.5 6.8 93 96 A E H > S+ 0 0 154 -4,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.910 114.9 37.2 -45.8 -57.4 -30.7 14.2 3.5 94 97 A A H > S+ 0 0 56 -3,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.938 119.3 46.6 -64.3 -50.7 -27.3 15.6 4.5 95 98 A E H X S+ 0 0 64 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.874 109.2 54.7 -62.2 -39.3 -26.1 12.7 6.5 96 99 A D H X S+ 0 0 14 -4,-3.2 4,-2.7 -5,-0.3 -1,-0.2 0.891 102.8 58.1 -60.8 -41.4 -27.1 10.1 3.9 97 100 A K H X S+ 0 0 129 -4,-1.5 4,-0.8 -5,-0.3 -1,-0.2 0.887 112.4 38.8 -56.3 -42.8 -25.0 12.0 1.3 98 101 A E H X S+ 0 0 88 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.835 113.2 55.4 -78.6 -33.2 -21.9 11.6 3.3 99 102 A R H X S+ 0 0 29 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.899 101.2 59.1 -65.5 -39.9 -22.6 8.1 4.4 100 103 A I H X S+ 0 0 24 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.872 106.7 48.2 -55.6 -39.1 -23.0 6.9 0.8 101 104 A K H X S+ 0 0 104 -4,-0.8 4,-0.6 -5,-0.2 -1,-0.2 0.856 112.9 46.7 -71.2 -36.4 -19.4 8.0 0.2 102 105 A L H >X S+ 0 0 4 -4,-1.5 4,-2.9 1,-0.2 3,-0.5 0.862 104.2 61.8 -73.9 -37.3 -18.0 6.3 3.2 103 106 A A H 3< S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.880 100.1 52.9 -56.4 -44.4 -19.9 3.0 2.6 104 107 A K H 3< S+ 0 0 135 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.792 117.3 39.1 -62.7 -30.2 -18.1 2.4 -0.8 105 108 A M H << S+ 0 0 36 -4,-0.6 22,-0.2 -3,-0.5 -2,-0.2 0.815 131.4 26.0 -88.5 -35.9 -14.8 2.8 0.9 106 109 A Y S < S- 0 0 24 -4,-2.9 -1,-0.2 171,-0.1 -2,-0.1 -0.753 83.6-149.2-133.3 81.5 -15.7 1.0 4.2 107 110 A P + 0 0 10 0, 0.0 17,-1.9 0, 0.0 2,-0.3 -0.317 22.5 170.6 -56.4 128.1 -18.5 -1.6 3.6 108 111 A Q E +B 123 0B 19 169,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.919 17.7 140.9-141.7 109.3 -20.7 -2.0 6.7 109 112 A Y E -B 122 0B 4 13,-2.7 13,-3.4 -2,-0.3 2,-0.4 -1.000 44.8-130.5-155.2 151.6 -23.8 -4.1 6.2 110 113 A Y E -B 121 0B 15 169,-0.4 171,-1.4 -2,-0.3 2,-0.3 -0.814 20.9-174.2 -98.8 143.9 -26.1 -6.7 7.7 111 114 A H E -f 281 0C 2 9,-2.8 171,-0.2 -2,-0.4 2,-0.0 -0.750 51.6 -63.3-142.6 91.0 -27.1 -9.6 5.5 112 115 A H E S- 0 0 49 169,-3.0 8,-2.9 -2,-0.3 -1,-0.3 -0.324 74.0 -68.8 69.5-148.6 -29.6 -11.9 7.1 113 116 A V E -B 119 0B 6 6,-0.3 2,-0.1 -3,-0.1 145,-0.1 -0.841 35.6-108.2-137.9 171.5 -29.0 -13.9 10.3 114 117 A D > - 0 0 2 4,-1.8 3,-2.4 -2,-0.3 140,-0.3 -0.337 54.9 -81.1 -92.2-178.9 -26.9 -16.7 11.6 115 118 A K T 3 S+ 0 0 115 138,-3.2 139,-0.1 1,-0.3 138,-0.0 0.745 131.7 52.9 -57.0 -24.1 -28.3 -20.1 12.6 116 119 A D T 3 S- 0 0 55 137,-0.4 -1,-0.3 2,-0.1 -105,-0.1 0.402 121.9-104.6 -92.4 3.3 -29.4 -18.8 15.9 117 120 A G S < S+ 0 0 8 -3,-2.4 48,-0.2 1,-0.3 -2,-0.1 0.499 70.4 148.8 88.6 3.9 -31.3 -15.9 14.3 118 121 A R - 0 0 45 1,-0.1 -4,-1.8 54,-0.1 -1,-0.3 -0.471 60.0 -97.0 -72.6 139.3 -28.7 -13.2 15.3 119 122 A P E -B 113 0B 0 0, 0.0 54,-2.6 0, 0.0 2,-0.7 -0.337 39.2-132.3 -56.4 132.7 -28.4 -10.3 12.8 120 123 A L E - c 0 173B 0 -8,-2.9 -9,-2.8 52,-0.2 2,-0.4 -0.824 26.2-167.4 -95.0 115.0 -25.4 -11.1 10.6 121 124 A Y E -Bc 110 174B 30 52,-3.0 54,-3.1 -2,-0.7 2,-0.4 -0.867 6.3-170.5-111.2 133.6 -23.1 -8.1 10.3 122 125 A F E +Bc 109 175B 0 -13,-3.4 -13,-2.7 -2,-0.4 2,-0.3 -0.941 7.7 177.6-123.5 142.9 -20.2 -7.6 7.8 123 126 A E E -Bc 108 176B 24 52,-1.8 54,-3.0 -2,-0.4 2,-0.5 -0.993 12.1-158.4-138.4 138.2 -17.5 -5.0 7.5 124 127 A E E + c 0 177B 36 -17,-1.9 54,-0.2 -2,-0.3 3,-0.1 -0.989 13.3 174.3-122.5 124.4 -14.7 -5.0 4.9 125 128 A L > + 0 0 38 52,-2.5 3,-1.8 -2,-0.5 53,-0.2 0.598 58.7 87.1-103.4 -16.9 -11.5 -3.0 5.7 126 129 A G T 3 S+ 0 0 32 51,-0.6 -1,-0.1 53,-0.3 52,-0.1 0.643 85.6 56.4 -61.0 -18.5 -9.3 -3.8 2.7 127 130 A G T 3 S+ 0 0 56 -22,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.421 81.2 113.5 -94.4 1.3 -10.6 -1.0 0.6 128 131 A I < - 0 0 35 -3,-1.8 2,-0.6 4,-0.0 3,-0.1 -0.595 42.7-173.5 -79.0 126.7 -9.8 1.7 3.1 129 132 A N > - 0 0 68 -2,-0.4 4,-2.6 1,-0.2 3,-0.3 -0.964 16.8-151.5-116.5 106.0 -7.2 4.2 2.2 130 133 A L H > S+ 0 0 28 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.883 92.0 52.9 -46.2 -49.3 -6.7 6.2 5.4 131 134 A K H 4 S+ 0 0 167 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.933 113.6 42.1 -54.7 -50.0 -5.6 9.4 3.6 132 135 A K H >> S+ 0 0 133 -3,-0.3 3,-0.7 1,-0.2 4,-0.6 0.863 113.9 54.2 -66.5 -34.4 -8.7 9.4 1.4 133 136 A M H >X S+ 0 0 6 -4,-2.6 4,-1.6 1,-0.2 3,-1.1 0.888 101.7 56.1 -67.2 -40.8 -10.9 8.4 4.3 134 137 A Y H 3< S+ 0 0 102 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.601 102.0 60.4 -69.0 -9.0 -9.8 11.3 6.5 135 138 A K H <4 S+ 0 0 180 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.2 0.699 113.8 32.2 -89.4 -21.6 -10.8 13.7 3.7 136 139 A I H << S+ 0 0 52 -3,-1.1 2,-0.3 -4,-0.6 -2,-0.2 0.564 127.5 6.6-111.2 -12.3 -14.5 12.6 3.7 137 140 A T < - 0 0 18 -4,-1.6 2,-0.3 -35,-0.0 -1,-0.1 -0.879 61.6-126.6-153.8-174.8 -15.1 11.7 7.3 138 141 A T > - 0 0 74 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.962 29.7-114.5-141.3 156.3 -13.7 11.8 10.9 139 142 A E H > S+ 0 0 51 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.891 118.2 59.6 -57.1 -37.9 -13.2 9.2 13.6 140 143 A K H > S+ 0 0 170 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.927 107.4 44.3 -53.5 -51.1 -15.7 11.2 15.6 141 144 A Q H > S+ 0 0 73 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.856 109.7 54.1 -65.2 -39.9 -18.3 10.7 12.9 142 145 A M H X S+ 0 0 16 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.861 108.3 51.7 -64.9 -32.7 -17.6 7.0 12.4 143 146 A L H X S+ 0 0 21 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.884 109.3 49.0 -69.9 -38.8 -18.1 6.5 16.2 144 147 A R H X S+ 0 0 87 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.859 109.0 53.2 -69.0 -35.0 -21.5 8.3 16.0 145 148 A N H X S+ 0 0 13 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.914 109.8 49.2 -62.0 -43.1 -22.4 6.1 13.1 146 149 A L H X S+ 0 0 31 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.944 111.8 47.7 -60.7 -50.6 -21.5 3.1 15.2 147 150 A V H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.926 110.1 52.3 -59.2 -45.1 -23.6 4.4 18.1 148 151 A K H X S+ 0 0 8 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.945 108.9 50.3 -57.0 -47.6 -26.6 5.1 15.8 149 152 A E H X S+ 0 0 27 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.878 105.2 57.3 -58.5 -37.7 -26.4 1.5 14.5 150 153 A Y H X S+ 0 0 46 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.933 110.0 45.1 -58.1 -42.9 -26.4 0.3 18.1 151 154 A E H X S+ 0 0 22 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.877 113.3 48.7 -67.9 -38.6 -29.6 2.1 18.6 152 155 A L H X>S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-1.5 0.860 108.4 56.6 -68.3 -35.0 -31.1 0.8 15.3 153 156 A F H <>S+ 0 0 6 -4,-3.0 5,-2.6 -5,-0.2 4,-0.3 0.968 113.9 37.1 -58.9 -54.5 -30.0 -2.7 16.3 154 157 A A H <5S+ 0 0 31 -4,-2.0 -2,-0.2 3,-0.2 -1,-0.2 0.834 121.9 45.9 -68.0 -34.6 -32.0 -2.5 19.6 155 158 A T H <5S+ 0 0 46 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.898 133.7 3.2 -77.2 -43.5 -34.9 -0.6 18.1 156 159 A Y T X5S+ 0 0 25 -4,-2.8 4,-1.4 -5,-0.2 -3,-0.2 0.769 126.0 50.3-114.7 -43.7 -35.5 -2.5 14.8 157 160 A R H > S+ 0 0 1 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.953 117.9 42.9 -56.6 -49.4 -37.7 -7.0 17.7 160 163 A A H X S+ 0 0 0 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.919 115.9 46.1 -63.0 -48.2 -37.9 -8.4 14.2 161 164 A C H X S+ 0 0 2 -4,-2.7 4,-2.7 1,-0.2 6,-0.3 0.825 112.9 51.7 -66.6 -30.6 -35.3 -11.1 14.6 162 165 A S H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.3 5,-0.4 0.872 108.9 49.7 -72.4 -38.2 -36.8 -12.1 17.9 163 166 A R H < S+ 0 0 43 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.902 115.7 44.3 -66.2 -40.2 -40.3 -12.4 16.3 164 167 A R H < S+ 0 0 125 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.948 115.6 45.4 -68.2 -50.6 -38.8 -14.5 13.5 165 168 A A H < S- 0 0 28 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.784 103.9-127.5 -65.5 -29.3 -36.6 -16.7 15.8 166 169 A G S < S+ 0 0 56 -4,-2.0 2,-0.3 1,-0.3 -3,-0.1 0.366 82.9 62.2 95.5 -6.4 -39.4 -17.3 18.3 167 170 A Y S S- 0 0 57 -5,-0.4 -1,-0.3 -6,-0.3 -2,-0.2 -0.936 98.5 -70.4-145.2 167.1 -37.2 -16.2 21.1 168 171 A L - 0 0 6 -159,-2.1 2,-0.5 -2,-0.3 -157,-0.4 -0.398 38.3-159.9 -66.4 129.2 -35.3 -13.1 22.3 169 172 A I + 0 0 7 -11,-0.4 -7,-0.2 -162,-0.2 -8,-0.1 -0.935 22.4 160.5-108.4 127.2 -32.3 -12.1 20.3 170 173 A E + 0 0 14 -2,-0.5 2,-0.2 -8,-0.0 -1,-0.1 0.490 56.9 50.4-122.2 -9.7 -29.8 -9.8 22.1 171 174 A T - 0 0 24 -13,-0.1 2,-0.3 37,-0.1 37,-0.2 -0.710 64.5-130.4-128.1 176.7 -26.7 -10.2 20.1 172 175 A S E - d 0 208B 19 35,-1.2 38,-1.8 -2,-0.2 37,-1.5 -0.810 13.7-131.3-125.3 164.9 -25.1 -10.2 16.7 173 176 A C E -cd 120 210B 0 -54,-2.6 -52,-3.0 -2,-0.3 2,-0.4 -0.979 33.7-164.8-116.5 112.8 -22.9 -12.4 14.6 174 177 A T E -cd 121 211B 13 36,-3.1 38,-3.4 -2,-0.6 2,-0.5 -0.832 17.4-167.0-109.3 140.3 -20.1 -10.3 13.1 175 178 A V E -cd 122 212B 0 -54,-3.1 -52,-1.8 -2,-0.4 2,-0.7 -0.969 7.2-165.0-124.3 111.5 -17.7 -11.0 10.3 176 179 A L E -cd 123 213B 25 36,-3.7 38,-2.6 -2,-0.5 2,-0.7 -0.884 9.0-157.1 -98.8 111.5 -14.7 -8.6 10.0 177 180 A D E +cd 124 214B 9 -54,-3.0 -52,-2.5 -2,-0.7 -51,-0.6 -0.810 18.6 173.7 -95.7 112.5 -13.1 -9.0 6.6 178 181 A L > + 0 0 3 36,-3.0 3,-2.1 -2,-0.7 37,-0.2 0.220 24.7 144.1-100.7 14.0 -9.5 -7.9 6.6 179 182 A K T 3 S+ 0 0 138 1,-0.3 -53,-0.3 35,-0.2 37,-0.1 -0.336 73.7 12.9 -57.5 123.2 -8.6 -9.0 3.1 180 183 A G T 3 S+ 0 0 66 1,-0.3 -1,-0.3 35,-0.3 2,-0.1 0.370 91.9 128.1 95.0 -6.1 -6.3 -6.5 1.6 181 184 A I < - 0 0 35 -3,-2.1 2,-0.5 1,-0.0 -1,-0.3 -0.435 59.0-119.7 -81.6 160.9 -5.3 -4.5 4.7 182 185 A S >> - 0 0 49 1,-0.1 4,-1.7 -2,-0.1 3,-0.9 -0.865 12.2-134.0-100.4 132.7 -1.7 -3.8 5.6 183 186 A L H 3> S+ 0 0 49 -2,-0.5 4,-1.6 1,-0.3 5,-0.1 0.852 109.2 62.0 -50.5 -32.7 -0.6 -5.1 9.0 184 187 A S H 3> S+ 0 0 87 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.896 101.0 47.3 -61.4 -44.9 0.9 -1.6 9.3 185 188 A N H <> S+ 0 0 62 -3,-0.9 4,-1.6 2,-0.2 -1,-0.2 0.812 103.6 63.7 -68.4 -29.0 -2.4 0.2 9.0 186 189 A A H >< S+ 0 0 10 -4,-1.7 3,-0.6 1,-0.2 -1,-0.2 0.963 107.4 42.4 -57.2 -50.8 -3.8 -2.2 11.6 187 190 A Y H >< S+ 0 0 82 -4,-1.6 3,-1.6 1,-0.2 4,-0.3 0.898 108.5 62.0 -61.2 -41.0 -1.3 -0.8 14.1 188 191 A H H 3< S+ 0 0 127 -4,-1.9 3,-0.3 1,-0.3 -1,-0.2 0.764 105.6 43.2 -59.0 -31.4 -1.9 2.8 12.9 189 192 A V T XX S+ 0 0 32 -4,-1.6 4,-2.3 -3,-0.6 3,-0.8 0.223 73.7 116.6-101.5 15.0 -5.6 2.8 13.8 190 193 A L H <> S+ 0 0 38 -3,-1.6 4,-2.0 1,-0.3 -1,-0.2 0.877 74.5 59.2 -46.9 -40.8 -5.2 1.2 17.2 191 194 A S H 3> S+ 0 0 73 -3,-0.3 4,-1.7 -4,-0.3 -1,-0.3 0.897 106.2 43.9 -57.4 -46.8 -6.4 4.5 18.7 192 195 A Y H <> S+ 0 0 30 -3,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.911 110.0 56.4 -67.5 -40.3 -9.8 4.4 16.9 193 196 A I H X S+ 0 0 48 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.875 105.6 52.8 -58.1 -37.1 -10.2 0.7 17.7 194 197 A K H X S+ 0 0 86 -4,-2.0 4,-2.8 -5,-0.3 -1,-0.2 0.923 107.6 50.1 -65.7 -43.4 -9.8 1.6 21.4 195 198 A D H X S+ 0 0 55 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.897 111.3 48.8 -61.5 -40.5 -12.6 4.2 21.1 196 199 A V H X S+ 0 0 36 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.930 112.8 48.6 -63.5 -43.9 -14.9 1.7 19.5 197 200 A A H X S+ 0 0 9 -4,-2.4 4,-2.9 -5,-0.2 5,-0.4 0.878 108.5 53.8 -63.6 -40.7 -14.0 -0.8 22.3 198 201 A D H X S+ 0 0 47 -4,-2.8 4,-2.3 2,-0.2 5,-0.3 0.941 111.0 44.1 -61.3 -49.3 -14.6 1.8 25.0 199 202 A I H X S+ 0 0 14 -4,-2.0 4,-2.4 2,-0.2 5,-0.4 0.923 119.0 43.5 -61.9 -45.3 -18.1 2.7 23.8 200 203 A S H X S+ 0 0 20 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.952 117.4 42.8 -66.5 -52.4 -19.1 -0.9 23.2 201 204 A Q H < S+ 0 0 42 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.911 124.3 36.3 -60.9 -43.4 -17.6 -2.4 26.4 202 205 A N H < S+ 0 0 63 -4,-2.3 -2,-0.2 -5,-0.4 -1,-0.2 0.830 131.8 21.8 -82.8 -36.3 -18.9 0.4 28.6 203 206 A Y H < S+ 0 0 51 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