==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 22-FEB-12 4DUI . COMPND 2 MOLECULE: DESIGNED ANKYRIN REPEAT PROTEIN (DARPIN) D1; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTIFICIAL GENE; . AUTHOR L.PECQUEUR,C.DUELLBERG,B.DREIER,Q.WANG,C.JIANG,A.PLUCKTHUN,T . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8796.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 66.5 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 . 3 1.8 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 . 10 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 40.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 5.5 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 0 0 3 2 4 0 0 0 0 1 0 0 0 0 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 5 A H 0 0 222 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 40.2 -4.2 34.8 -31.4 2 6 A H - 0 0 164 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.771 360.0-152.8 -86.3 130.3 -4.7 31.1 -31.5 3 7 A H - 0 0 175 -2,-0.5 2,-0.3 0, 0.0 0, 0.0 -0.650 12.8-162.3 -99.5 162.9 -6.0 29.5 -28.4 4 8 A H - 0 0 145 -2,-0.2 0, 0.0 1,-0.0 0, 0.0 -0.922 26.0 -85.8-144.0 158.9 -5.4 25.8 -27.4 5 9 A H - 0 0 122 -2,-0.3 2,-1.0 27,-0.1 -1,-0.0 -0.237 46.5-111.4 -58.7 157.4 -6.6 23.0 -25.2 6 10 A H > - 0 0 141 1,-0.2 4,-2.4 2,-0.1 3,-0.2 -0.803 30.2-167.8 -98.9 95.8 -5.1 22.9 -21.7 7 11 A G H > S+ 0 0 48 -2,-1.0 4,-2.3 1,-0.2 28,-0.3 0.836 83.0 51.4 -54.9 -44.2 -2.9 19.8 -21.7 8 12 A S H > S+ 0 0 106 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.925 111.6 48.4 -61.0 -44.6 -2.3 19.6 -18.0 9 13 A D H > S+ 0 0 60 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.899 109.3 51.4 -64.7 -41.5 -6.0 19.8 -17.3 10 14 A L H X S+ 0 0 26 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.890 109.0 53.1 -61.2 -37.3 -6.8 17.1 -19.9 11 15 A G H X S+ 0 0 6 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.909 107.4 50.3 -61.7 -43.1 -4.3 14.9 -18.2 12 16 A K H X S+ 0 0 130 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.902 111.1 49.3 -62.5 -40.2 -5.9 15.4 -14.9 13 17 A K H X S+ 0 0 102 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.871 107.1 54.8 -65.0 -37.8 -9.3 14.5 -16.4 14 18 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.908 107.0 51.0 -62.9 -41.1 -7.8 11.4 -18.0 15 19 A L H X S+ 0 0 11 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.928 111.3 48.8 -58.7 -46.1 -6.5 10.3 -14.5 16 20 A E H X S+ 0 0 124 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.925 112.9 46.5 -60.5 -45.5 -10.1 10.8 -13.1 17 21 A A H X>S+ 0 0 1 -4,-2.7 5,-2.1 1,-0.2 4,-1.2 0.889 110.7 52.9 -65.3 -39.2 -11.7 8.9 -16.0 18 22 A A H <5S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.877 112.8 43.2 -67.2 -39.7 -9.2 6.0 -15.7 19 23 A R H <5S+ 0 0 97 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.868 116.3 47.4 -71.9 -34.5 -9.8 5.5 -11.9 20 24 A A H <5S- 0 0 62 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.577 111.2-114.0 -86.1 -11.5 -13.6 5.9 -12.2 21 25 A G T <5 + 0 0 22 -4,-1.2 2,-1.6 1,-0.2 -3,-0.2 0.734 57.8 156.4 83.8 27.0 -14.1 3.5 -15.1 22 26 A Q >< + 0 0 106 -5,-2.1 4,-2.0 1,-0.2 -1,-0.2 -0.614 15.2 177.2 -89.1 78.9 -15.3 6.2 -17.6 23 27 A D H > S+ 0 0 59 -2,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.878 73.1 44.9 -54.5 -51.6 -14.3 4.2 -20.7 24 28 A D H > S+ 0 0 110 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.909 109.6 55.5 -66.4 -38.9 -15.6 6.5 -23.3 25 29 A E H > S+ 0 0 77 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.886 102.5 57.5 -61.6 -36.7 -14.1 9.6 -21.6 26 30 A V H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.952 110.7 43.5 -55.5 -47.5 -10.7 7.9 -21.7 27 31 A R H X S+ 0 0 88 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.883 115.3 48.2 -65.1 -42.3 -10.9 7.6 -25.5 28 32 A I H X S+ 0 0 79 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.886 109.3 52.3 -68.0 -41.8 -12.3 11.1 -25.9 29 33 A L H <>S+ 0 0 7 -4,-2.9 5,-2.6 1,-0.2 3,-0.3 0.921 110.9 46.3 -64.9 -43.2 -9.7 12.8 -23.7 30 34 A M H ><5S+ 0 0 21 -4,-1.9 3,-1.8 -5,-0.3 -1,-0.2 0.898 107.7 57.5 -65.3 -37.0 -6.8 11.2 -25.6 31 35 A A H 3<5S+ 0 0 87 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.820 107.0 50.3 -59.9 -30.7 -8.4 12.1 -28.9 32 36 A N T 3<5S- 0 0 75 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.307 135.5 -84.9 -92.6 4.7 -8.3 15.7 -27.7 33 37 A G T < 5S+ 0 0 57 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.404 70.2 155.9 115.1 -0.3 -4.6 15.5 -26.8 34 38 A A < - 0 0 9 -5,-2.6 2,-0.4 -6,-0.1 -1,-0.3 -0.327 50.2-110.8 -61.9 139.2 -4.4 14.1 -23.2 35 39 A D > - 0 0 93 -28,-0.3 3,-2.2 1,-0.2 -1,-0.1 -0.560 16.3-145.6 -69.6 119.7 -1.1 12.4 -22.5 36 40 A V T 3 S+ 0 0 20 -2,-0.4 11,-0.4 1,-0.3 -1,-0.2 0.748 103.1 46.0 -57.8 -26.5 -1.6 8.6 -22.2 37 41 A N T 3 S+ 0 0 53 8,-0.1 -1,-0.3 9,-0.1 -2,-0.1 0.002 84.1 151.1-106.6 26.5 1.1 8.7 -19.5 38 42 A A < + 0 0 6 -3,-2.2 2,-0.3 -27,-0.1 -30,-0.0 -0.143 15.9 160.1 -52.3 149.9 -0.2 11.7 -17.6 39 43 A T - 0 0 71 6,-0.1 2,-0.2 7,-0.1 6,-0.1 -0.937 30.7-139.3-159.0-178.0 0.5 11.9 -13.9 40 44 A D > - 0 0 88 4,-0.3 3,-2.1 -2,-0.3 4,-0.0 -0.596 60.3 -64.4-130.7-167.1 0.8 14.1 -10.8 41 45 A A T 3 S+ 0 0 100 1,-0.3 33,-0.0 -2,-0.2 -2,-0.0 0.656 129.0 64.9 -67.2 -11.6 3.3 14.1 -8.0 42 46 A S T 3 S- 0 0 37 2,-0.1 32,-2.7 31,-0.1 33,-0.4 0.693 100.2-133.8 -74.1 -23.5 2.1 10.6 -6.9 43 47 A G < + 0 0 16 -3,-2.1 2,-0.6 1,-0.3 -2,-0.1 0.501 55.2 144.7 77.3 3.9 3.4 9.1 -10.2 44 48 A L - 0 0 40 4,-0.1 -4,-0.3 29,-0.1 -1,-0.3 -0.662 33.0-162.6 -75.2 117.2 0.1 7.2 -10.7 45 49 A T > - 0 0 10 -2,-0.6 4,-2.3 -6,-0.1 5,-0.2 -0.448 37.4 -95.2 -87.1 171.7 -0.5 7.1 -14.4 46 50 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.898 128.6 52.3 -56.6 -39.1 -3.9 6.3 -16.0 47 51 A L H > S+ 0 0 0 -11,-0.4 4,-2.2 1,-0.2 5,-0.2 0.905 106.7 51.8 -65.8 -41.5 -2.7 2.7 -16.4 48 52 A H H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.914 113.8 45.2 -54.7 -45.2 -1.8 2.5 -12.7 49 53 A L H X S+ 0 0 8 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.917 112.1 48.8 -70.1 -44.3 -5.2 3.7 -11.8 50 54 A A H X>S+ 0 0 0 -4,-2.9 5,-2.2 -5,-0.2 4,-0.5 0.878 114.2 48.0 -61.0 -36.1 -7.1 1.5 -14.2 51 55 A A H <5S+ 0 0 0 -4,-2.2 3,-0.4 -5,-0.2 -2,-0.2 0.890 113.1 47.7 -71.8 -39.2 -5.1 -1.5 -13.0 52 56 A T H <5S+ 0 0 20 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.921 116.8 42.6 -62.6 -43.9 -5.7 -0.6 -9.3 53 57 A Y H <5S- 0 0 107 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.330 111.5-113.7 -99.9 8.3 -9.5 -0.1 -9.8 54 58 A G T <5 + 0 0 27 -4,-0.5 2,-1.2 -3,-0.4 -3,-0.2 0.728 57.7 152.9 80.6 23.4 -10.1 -3.1 -12.0 55 59 A H >< + 0 0 47 -5,-2.2 4,-2.3 1,-0.2 -1,-0.2 -0.682 14.1 176.2 -96.7 90.2 -11.1 -1.4 -15.3 56 60 A L H > S+ 0 0 63 -2,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.901 76.8 50.3 -62.6 -48.2 -10.1 -4.0 -17.9 57 61 A E H > S+ 0 0 85 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.921 111.8 49.1 -57.9 -45.3 -11.4 -2.2 -21.0 58 62 A I H > S+ 0 0 1 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.912 107.1 54.7 -63.7 -40.4 -9.6 1.0 -20.0 59 63 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.941 111.7 46.0 -54.3 -47.7 -6.3 -1.0 -19.4 60 64 A E H X S+ 0 0 80 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.911 113.0 48.3 -62.9 -45.4 -6.6 -2.3 -23.0 61 65 A V H X S+ 0 0 15 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.921 112.0 49.0 -63.0 -44.8 -7.4 1.1 -24.5 62 66 A L H <>S+ 0 0 0 -4,-3.0 5,-2.4 1,-0.2 3,-0.2 0.928 111.2 49.7 -62.5 -43.8 -4.6 2.8 -22.7 63 67 A L H ><5S+ 0 0 20 -4,-2.3 3,-1.8 -5,-0.3 -1,-0.2 0.914 108.3 53.7 -61.2 -41.1 -2.1 0.1 -23.8 64 68 A K H 3<5S+ 0 0 178 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.838 107.7 52.3 -61.1 -33.2 -3.3 0.5 -27.4 65 69 A H T 3<5S- 0 0 105 -4,-1.6 -1,-0.3 -3,-0.2 -29,-0.2 0.228 131.0 -90.5 -89.7 12.7 -2.6 4.2 -27.2 66 70 A G T < 5 + 0 0 48 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.623 61.3 169.9 95.7 16.3 1.0 3.7 -25.9 67 71 A A < - 0 0 11 -5,-2.4 2,-0.8 -6,-0.1 -1,-0.2 -0.287 43.9-109.4 -57.7 143.5 0.7 3.6 -22.1 68 72 A D > - 0 0 76 1,-0.2 3,-1.7 2,-0.1 -1,-0.1 -0.652 25.6-160.6 -78.4 109.9 4.0 2.5 -20.5 69 73 A V T 3 S+ 0 0 16 -2,-0.8 11,-0.4 1,-0.3 -1,-0.2 0.741 90.8 44.5 -62.7 -26.4 3.2 -0.9 -19.1 70 74 A N T 3 S+ 0 0 54 8,-0.1 -1,-0.3 30,-0.1 -2,-0.1 -0.007 79.1 147.4-112.4 29.7 6.1 -0.7 -16.7 71 75 A A < - 0 0 8 -3,-1.7 2,-0.4 1,-0.1 -26,-0.0 -0.315 35.6-146.7 -58.4 145.3 5.6 2.9 -15.4 72 76 A I - 0 0 118 6,-0.1 6,-0.2 7,-0.1 2,-0.1 -0.941 5.9-151.3-121.4 139.9 6.6 3.4 -11.8 73 77 A D > - 0 0 19 4,-1.8 3,-2.0 -2,-0.4 -30,-0.3 -0.228 44.5 -80.2 -95.2-172.6 5.0 5.7 -9.3 74 78 A I T 3 S+ 0 0 117 -32,-2.7 -31,-0.1 1,-0.3 -32,-0.1 0.774 132.3 52.1 -64.9 -24.4 6.6 7.4 -6.3 75 79 A X T 3 S- 0 0 115 -33,-0.4 32,-2.8 2,-0.1 33,-0.3 0.369 119.7-110.0 -85.6 -0.1 6.4 4.2 -4.3 76 80 A G < + 0 0 14 -3,-2.0 2,-0.3 30,-0.3 -2,-0.1 0.520 69.9 147.3 81.1 6.7 8.1 2.3 -7.0 77 81 A S - 0 0 13 29,-0.1 -4,-1.8 -5,-0.1 -1,-0.3 -0.554 34.3-155.7 -81.1 139.8 4.9 0.4 -7.9 78 82 A T > - 0 0 4 -2,-0.3 4,-1.6 -6,-0.2 3,-0.3 -0.578 37.4-100.2 -96.1 167.7 4.2 -0.7 -11.5 79 83 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.893 124.8 57.4 -55.4 -36.2 0.6 -1.3 -12.7 80 84 A L H > S+ 0 0 0 -11,-0.4 4,-2.1 1,-0.2 5,-0.2 0.883 102.1 54.4 -64.2 -41.7 1.2 -5.0 -12.3 81 85 A H H > S+ 0 0 0 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.921 111.8 45.2 -51.5 -48.4 2.0 -4.5 -8.5 82 86 A L H X S+ 0 0 20 -4,-1.6 4,-2.6 2,-0.2 5,-0.3 0.905 111.8 48.4 -71.6 -41.6 -1.3 -2.7 -8.0 83 87 A A H X>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 4,-1.9 0.883 113.9 49.9 -63.5 -35.6 -3.5 -5.2 -10.0 84 88 A A H <5S+ 0 0 0 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.867 112.5 46.3 -69.2 -38.0 -1.8 -8.0 -8.0 85 89 A L H <5S+ 0 0 54 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.938 118.1 40.1 -69.0 -50.0 -2.4 -6.3 -4.6 86 90 A I H <5S- 0 0 86 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.843 114.9-113.9 -75.3 -29.7 -6.0 -5.3 -5.2 87 91 A G T <5 + 0 0 27 -4,-1.9 2,-0.6 -5,-0.3 -3,-0.2 0.889 56.9 152.5 98.2 58.8 -6.8 -8.6 -6.9 88 92 A H >< + 0 0 43 -5,-2.3 4,-2.2 1,-0.2 -1,-0.2 -0.832 15.1 178.6-117.5 90.2 -7.7 -8.0 -10.5 89 93 A L H > S+ 0 0 48 -2,-0.6 4,-2.2 1,-0.2 5,-0.2 0.879 75.9 51.6 -63.1 -46.6 -6.7 -11.3 -12.3 90 94 A E H > S+ 0 0 113 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.889 111.6 49.1 -61.9 -38.7 -7.7 -10.5 -15.8 91 95 A I H > S+ 0 0 3 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.908 106.0 56.3 -68.4 -39.5 -5.7 -7.3 -15.7 92 96 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.939 109.9 47.5 -50.6 -50.3 -2.7 -9.1 -14.3 93 97 A E H X S+ 0 0 73 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.925 111.8 48.1 -61.1 -45.6 -2.9 -11.3 -17.4 94 98 A V H X S+ 0 0 21 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.923 111.0 50.8 -63.7 -43.5 -3.2 -8.5 -19.9 95 99 A L H <>S+ 0 0 0 -4,-2.9 5,-2.5 1,-0.2 3,-0.5 0.935 111.0 48.6 -59.2 -45.9 -0.4 -6.5 -18.3 96 100 A L H ><5S+ 0 0 17 -4,-2.3 3,-1.7 -5,-0.3 -1,-0.2 0.908 108.0 54.4 -60.9 -41.4 1.9 -9.6 -18.6 97 101 A K H 3<5S+ 0 0 161 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.771 107.1 53.1 -63.9 -26.2 0.9 -10.2 -22.2 98 102 A H T 3<5S- 0 0 100 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.175 131.3 -87.9 -94.8 16.7 2.0 -6.6 -22.9 99 103 A G T < 5 + 0 0 47 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.586 62.4 169.7 97.3 10.1 5.4 -7.0 -21.4 100 104 A A < - 0 0 10 -5,-2.5 2,-0.7 -6,-0.2 -1,-0.2 -0.295 43.6-111.8 -55.5 140.0 5.0 -6.1 -17.8 101 105 A D > - 0 0 81 1,-0.2 3,-1.6 -32,-0.1 -1,-0.1 -0.604 25.3-160.7 -77.8 108.4 8.1 -7.0 -15.8 102 106 A V T 3 S+ 0 0 16 -2,-0.7 11,-0.4 1,-0.3 -1,-0.2 0.750 89.3 45.0 -66.3 -24.0 7.0 -9.9 -13.6 103 107 A N T 3 S+ 0 0 59 8,-0.1 -1,-0.3 30,-0.1 -2,-0.1 0.086 78.9 142.4-108.6 23.7 9.9 -9.3 -11.1 104 108 A A < - 0 0 11 -3,-1.6 2,-0.4 1,-0.1 -26,-0.1 -0.325 38.6-147.1 -57.6 144.2 9.6 -5.5 -10.9 105 109 A V - 0 0 85 6,-0.1 6,-0.2 7,-0.1 2,-0.1 -0.921 3.5-146.2-119.6 144.9 10.3 -4.3 -7.3 106 110 A D > - 0 0 24 4,-1.9 3,-2.1 -2,-0.4 -30,-0.3 -0.154 49.6 -72.8 -91.1-168.0 8.9 -1.3 -5.5 107 111 A T T 3 S+ 0 0 91 -32,-2.8 -31,-0.1 1,-0.3 -1,-0.0 0.690 135.0 47.3 -65.1 -17.8 10.6 0.9 -3.0 108 112 A W T 3 S- 0 0 152 -33,-0.3 32,-2.6 2,-0.1 33,-0.4 0.245 120.2-106.1-103.7 10.9 10.6 -1.9 -0.3 109 113 A G S < S+ 0 0 9 -3,-2.1 2,-0.3 30,-0.3 -2,-0.1 0.555 70.8 146.9 78.6 7.7 11.9 -4.5 -2.7 110 114 A D - 0 0 14 29,-0.1 -4,-1.9 3,-0.0 -1,-0.3 -0.606 34.5-152.6 -82.9 137.3 8.5 -6.2 -3.1 111 115 A T >> - 0 0 5 -2,-0.3 4,-1.4 -6,-0.2 3,-0.6 -0.499 37.7 -96.9 -91.7 168.0 7.5 -7.9 -6.3 112 116 A P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.872 125.1 61.3 -54.1 -34.4 3.9 -8.4 -7.5 113 117 A L H 3> S+ 0 0 1 -11,-0.4 4,-2.0 1,-0.2 5,-0.1 0.883 101.0 51.8 -59.2 -42.2 4.2 -11.9 -6.1 114 118 A H H <> S+ 0 0 1 -3,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.880 111.7 47.0 -60.6 -40.4 4.8 -10.5 -2.6 115 119 A L H X S+ 0 0 26 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.896 111.5 49.0 -73.2 -42.0 1.7 -8.3 -2.8 116 120 A A H <>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 4,-0.5 0.881 110.4 55.4 -60.8 -36.4 -0.6 -11.0 -4.2 117 121 A A H ><5S+ 0 0 0 -4,-2.0 3,-1.0 -5,-0.3 -2,-0.2 0.904 102.9 51.7 -65.5 -43.2 0.7 -13.2 -1.3 118 122 A I H 3<5S+ 0 0 71 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.900 114.5 44.0 -65.0 -35.5 -0.2 -10.8 1.5 119 123 A M T 3<5S- 0 0 104 -4,-1.4 -1,-0.3 -35,-0.1 -2,-0.2 0.448 111.9-120.1 -88.2 0.8 -3.8 -10.5 0.2 120 124 A G T < 5 + 0 0 32 -3,-1.0 2,-1.6 -4,-0.5 -3,-0.2 0.782 50.7 163.0 72.2 28.6 -4.1 -14.3 -0.4 121 125 A H >< + 0 0 43 -5,-2.4 4,-2.3 1,-0.2 -1,-0.2 -0.592 8.3 175.3 -85.0 86.2 -4.8 -14.0 -4.2 122 126 A L H > S+ 0 0 55 -2,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.876 73.1 50.0 -63.2 -45.2 -4.0 -17.6 -5.1 123 127 A E H > S+ 0 0 119 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.907 111.9 49.0 -64.0 -41.6 -5.0 -17.4 -8.8 124 128 A I H > S+ 0 0 4 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.915 108.0 54.6 -63.4 -42.8 -2.8 -14.3 -9.3 125 129 A V H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.942 108.8 49.2 -54.1 -46.7 0.1 -16.0 -7.6 126 130 A E H X S+ 0 0 99 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.897 111.4 47.7 -62.8 -43.7 -0.2 -19.0 -10.0 127 131 A V H X S+ 0 0 26 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.917 111.0 51.6 -63.2 -42.4 -0.3 -16.7 -13.1 128 132 A L H <>S+ 0 0 0 -4,-2.8 5,-2.6 1,-0.2 3,-0.2 0.939 111.5 47.0 -59.3 -46.3 2.7 -14.7 -11.8 129 133 A L H ><5S+ 0 0 43 -4,-2.6 3,-1.8 1,-0.2 -1,-0.2 0.921 109.1 53.5 -62.4 -43.3 4.7 -17.9 -11.3 130 134 A K H 3<5S+ 0 0 108 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.838 109.4 51.1 -58.8 -33.5 3.8 -19.3 -14.7 131 135 A H T 3<5S- 0 0 86 -4,-1.7 -1,-0.3 -3,-0.2 -29,-0.2 0.297 133.5 -84.8 -90.1 9.9 5.1 -16.0 -16.2 132 136 A G T < 5 + 0 0 40 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.554 63.5 165.8 106.0 8.6 8.4 -16.1 -14.4 133 137 A A < - 0 0 11 -5,-2.6 2,-0.9 -6,-0.2 -1,-0.2 -0.344 43.8-118.9 -55.8 137.4 8.0 -14.6 -11.0 134 138 A D > - 0 0 73 1,-0.2 3,-1.9 -32,-0.1 -1,-0.1 -0.677 22.4-162.5 -79.1 106.5 11.0 -15.5 -8.9 135 139 A V T 3 S+ 0 0 27 -2,-0.9 10,-0.5 1,-0.3 11,-0.4 0.786 89.3 52.1 -65.1 -24.9 9.5 -17.5 -6.0 136 140 A N T 3 S+ 0 0 110 8,-0.1 -1,-0.3 9,-0.1 -2,-0.1 0.403 78.0 136.8 -89.3 2.7 12.7 -17.0 -4.0 137 141 A A < - 0 0 14 -3,-1.9 2,-0.4 1,-0.1 8,-0.4 -0.254 41.1-153.0 -57.0 130.8 12.7 -13.2 -4.4 138 142 A Q - 0 0 136 6,-0.1 6,-0.2 -28,-0.1 -1,-0.1 -0.890 2.7-144.9-106.3 134.5 13.5 -11.4 -1.1 139 143 A D > - 0 0 14 4,-2.2 3,-2.0 -2,-0.4 -30,-0.3 -0.136 43.6 -82.8 -82.0-174.9 12.3 -7.9 -0.4 140 144 A K T 3 S+ 0 0 164 -32,-2.6 -31,-0.1 1,-0.3 -1,-0.1 0.573 131.4 57.6 -71.1 -10.3 14.3 -5.3 1.6 141 145 A F T 3 S- 0 0 115 -33,-0.4 -1,-0.3 2,-0.1 -32,-0.1 0.318 121.4-108.3 -96.6 6.0 13.1 -6.9 4.8 142 146 A G S < S+ 0 0 30 -3,-2.0 2,-0.4 1,-0.2 -2,-0.1 0.628 73.0 141.3 81.2 15.5 14.5 -10.2 3.7 143 147 A K - 0 0 78 4,-0.0 -4,-2.2 3,-0.0 -1,-0.2 -0.745 38.0-156.8-105.7 139.5 11.1 -11.7 3.1 144 148 A T > - 0 0 22 -2,-0.4 4,-2.4 -6,-0.2 5,-0.2 -0.522 39.9-101.6 -92.4 169.2 9.9 -14.1 0.4 145 149 A A H > S+ 0 0 1 -10,-0.5 4,-2.5 -8,-0.4 5,-0.2 0.877 125.9 56.0 -57.2 -39.1 6.3 -14.5 -0.7 146 150 A F H > S+ 0 0 64 -11,-0.4 4,-2.5 2,-0.2 5,-0.3 0.955 106.7 48.9 -56.4 -49.6 6.2 -17.6 1.4 147 151 A D H > S+ 0 0 46 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.916 112.5 47.6 -56.3 -48.4 7.3 -15.7 4.5 148 152 A I H X S+ 0 0 23 -4,-2.4 4,-1.9 2,-0.2 6,-0.2 0.919 110.7 52.3 -61.1 -42.0 4.6 -13.0 3.9 149 153 A S H <>S+ 0 0 0 -4,-2.5 5,-2.9 1,-0.2 -2,-0.2 0.936 114.7 40.0 -62.3 -48.6 1.9 -15.6 3.3 150 154 A I H ><5S+ 0 0 75 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.898 110.9 58.4 -72.0 -32.0 2.6 -17.5 6.5 151 155 A D H 3<5S+ 0 0 118 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.870 110.2 44.2 -62.5 -34.9 3.1 -14.3 8.5 152 156 A N T 3<5S- 0 0 91 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.256 119.4-110.3 -92.0 9.3 -0.4 -13.1 7.5 153 157 A G T < 5 + 0 0 48 -3,-1.7 2,-1.8 1,-0.2 -3,-0.2 0.722 66.8 148.5 72.2 21.7 -1.9 -16.6 8.3 154 158 A N >< + 0 0 40 -5,-2.9 4,-2.6 -6,-0.2 -1,-0.2 -0.584 15.8 166.5 -87.4 76.4 -2.6 -17.3 4.6 155 159 A E H > + 0 0 126 -2,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.840 65.8 56.7 -70.8 -35.8 -2.1 -21.0 5.2 156 160 A D H > S+ 0 0 127 -3,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.939 114.6 40.7 -59.3 -46.7 -3.5 -22.3 1.9 157 161 A L H > S+ 0 0 7 2,-0.2 4,-2.8 1,-0.2 3,-0.3 0.914 112.3 53.5 -66.6 -45.1 -1.1 -20.2 0.0 158 162 A A H X S+ 0 0 2 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.902 106.3 54.5 -59.5 -40.5 1.9 -20.9 2.3 159 163 A E H < S+ 0 0 100 -4,-2.3 4,-0.4 2,-0.2 -1,-0.2 0.842 111.6 45.0 -61.3 -37.1 1.4 -24.6 1.9 160 164 A I H >< S+ 0 0 61 -4,-1.1 3,-1.4 -3,-0.3 4,-0.3 0.945 113.4 48.2 -69.5 -50.0 1.5 -24.2 -1.9 161 165 A L H >< S+ 0 0 8 -4,-2.8 3,-1.5 1,-0.3 -2,-0.2 0.818 101.3 65.1 -65.7 -29.1 4.6 -21.9 -1.9 162 166 A Q T 3< S+ 0 0 117 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.764 96.8 57.4 -66.4 -21.4 6.5 -24.2 0.4 163 167 A K T < 0 0 164 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.589 360.0 360.0 -82.1 -9.8 6.5 -26.9 -2.3 164 168 A L < 0 0 113 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.1 -0.310 360.0 360.0 -94.1 360.0 8.2 -24.7 -4.8