==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 26-AUG-02 1MJ0 . COMPND 2 MOLECULE: SANK E3_5 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESIGNED SYNTHETIC GENE; . AUTHOR A.KOHL,H.K.BINZ,P.FORRER,M.T.STUMPP,A.PLUECKTHUN, . 156 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7605.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 69.2 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 . 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 . 4 2.6 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 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 39.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 5.8 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 0 1 4 0 4 0 0 1 0 0 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 11 A G 0 0 105 0, 0.0 2,-0.1 0, 0.0 32,-0.0 0.000 360.0 360.0 360.0 -88.1 8.5 15.0 -12.2 2 12 A S > - 0 0 45 30,-0.0 4,-0.5 26,-0.0 5,-0.1 -0.692 360.0-135.5 175.3-151.4 9.3 17.7 -12.6 3 13 A D H > S+ 0 0 94 2,-0.2 4,-2.2 3,-0.2 3,-0.2 0.661 126.5 45.1-173.4 -54.7 12.5 16.8 -14.7 4 14 A L H > S+ 0 0 50 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.832 103.9 63.0 -66.2 -30.1 13.4 19.4 -12.2 5 15 A G H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.933 106.4 42.5 -52.6 -49.3 11.4 17.4 -9.7 6 16 A K H X S+ 0 0 137 -4,-0.5 4,-2.1 -3,-0.2 -1,-0.2 0.913 112.3 53.5 -69.4 -41.1 13.8 14.6 -10.0 7 17 A K H X S+ 0 0 96 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.909 107.5 51.9 -63.9 -37.2 16.8 16.8 -10.1 8 18 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.892 106.0 53.8 -68.7 -35.2 15.7 18.4 -6.8 9 19 A L H X S+ 0 0 9 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.945 112.1 46.1 -60.7 -44.8 15.3 15.0 -5.1 10 20 A E H X S+ 0 0 109 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.907 113.1 47.7 -65.5 -44.6 18.9 14.3 -6.1 11 21 A A H X>S+ 0 0 1 -4,-2.7 5,-2.3 2,-0.2 4,-1.4 0.893 113.0 48.3 -62.7 -40.7 20.3 17.6 -5.0 12 22 A A H <5S+ 0 0 0 -4,-2.5 -2,-0.2 2,-0.2 3,-0.2 0.925 113.7 47.8 -67.8 -41.4 18.5 17.4 -1.6 13 23 A R H <5S+ 0 0 130 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.920 115.1 44.7 -62.7 -43.1 19.8 13.9 -1.1 14 24 A A H <5S- 0 0 60 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.642 109.8-122.2 -76.4 -17.5 23.3 14.9 -2.1 15 25 A G T <5 + 0 0 22 -4,-1.4 2,-1.2 1,-0.2 -3,-0.2 0.828 52.2 159.1 78.4 35.6 23.3 18.0 -0.0 16 26 A Q >< - 0 0 103 -5,-2.3 4,-2.6 1,-0.2 -1,-0.2 -0.749 15.7-177.0 -95.7 93.3 24.0 20.4 -2.8 17 27 A D H > S+ 0 0 63 -2,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.835 79.2 46.8 -58.0 -51.6 22.7 23.6 -1.3 18 28 A D H > S+ 0 0 126 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.872 112.7 51.5 -60.3 -39.7 23.3 25.9 -4.3 19 29 A E H > S+ 0 0 82 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.914 108.7 50.0 -62.8 -45.6 21.7 23.4 -6.6 20 30 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.902 112.6 48.0 -57.4 -45.5 18.6 23.1 -4.5 21 31 A R H X S+ 0 0 152 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.939 114.5 45.1 -64.6 -45.0 18.3 26.9 -4.4 22 32 A I H X S+ 0 0 88 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.934 113.2 50.4 -65.4 -40.8 18.8 27.2 -8.2 23 33 A L H <>S+ 0 0 16 -4,-3.0 5,-2.4 1,-0.2 3,-0.3 0.909 111.3 48.3 -65.6 -42.3 16.4 24.3 -9.0 24 34 A M H ><5S+ 0 0 31 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.854 107.5 55.2 -65.0 -35.7 13.7 25.8 -6.8 25 35 A A H 3<5S+ 0 0 85 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.724 105.7 53.5 -70.7 -20.8 14.1 29.2 -8.4 26 36 A N T 3<5S- 0 0 116 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.199 131.5 -89.6-101.3 18.2 13.4 27.6 -11.7 27 37 A G T < 5 + 0 0 62 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.459 62.2 169.0 101.3 4.4 10.2 26.0 -10.6 28 38 A A < - 0 0 11 -5,-2.4 2,-0.6 -6,-0.2 -1,-0.2 -0.218 44.4-109.5 -55.0 136.6 11.3 22.6 -9.2 29 39 A D > - 0 0 69 1,-0.2 3,-1.9 2,-0.1 -1,-0.1 -0.576 22.6-155.3 -71.4 109.8 8.4 20.9 -7.4 30 40 A V T 3 S+ 0 0 19 -2,-0.6 11,-0.4 1,-0.3 -1,-0.2 0.724 93.5 48.5 -62.0 -18.9 9.3 21.0 -3.7 31 41 A N T 3 S+ 0 0 55 8,-0.1 -1,-0.3 30,-0.1 -2,-0.1 -0.027 77.5 147.3-110.8 29.1 7.1 17.9 -3.1 32 42 A A < - 0 0 6 -3,-1.9 2,-0.4 -27,-0.1 -30,-0.0 -0.324 33.2-153.0 -59.2 148.9 8.4 15.8 -5.9 33 43 A T - 0 0 92 6,-0.2 6,-0.2 7,-0.1 2,-0.1 -0.989 6.2-152.1-132.8 140.9 8.3 12.1 -5.0 34 44 A D > - 0 0 52 4,-1.8 3,-1.9 -2,-0.4 -28,-0.0 -0.258 46.4 -76.6 -95.7-168.9 10.4 9.1 -6.2 35 45 A N T 3 S+ 0 0 146 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.641 131.1 52.3 -67.3 -15.5 9.6 5.4 -6.4 36 46 A D T 3 S- 0 0 78 2,-0.1 32,-2.5 31,-0.0 33,-0.4 0.435 119.1-110.5 -93.6 -1.2 10.0 4.9 -2.6 37 47 A G < + 0 0 15 -3,-1.9 2,-0.2 1,-0.3 -2,-0.1 0.598 68.9 151.8 77.6 10.5 7.6 7.7 -2.0 38 48 A Y - 0 0 64 29,-0.1 -4,-1.8 4,-0.1 -1,-0.3 -0.556 31.5-155.0 -71.4 143.6 10.5 9.9 -0.7 39 49 A T > - 0 0 5 -2,-0.2 4,-1.9 -6,-0.2 3,-0.3 -0.649 37.6 -99.7-103.5 169.7 10.3 13.7 -1.1 40 50 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.893 126.9 56.9 -55.8 -36.2 13.4 16.0 -1.2 41 51 A L H > S+ 0 0 0 -11,-0.4 4,-2.4 1,-0.2 5,-0.3 0.892 104.0 51.6 -63.0 -40.8 12.6 16.6 2.6 42 52 A H H > S+ 0 0 0 -3,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.947 114.3 42.5 -58.4 -51.8 12.8 12.9 3.4 43 53 A L H X S+ 0 0 16 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.913 115.5 47.8 -65.7 -43.4 16.2 12.5 1.7 44 54 A A H <>S+ 0 0 0 -4,-2.5 5,-2.3 -5,-0.2 4,-0.3 0.932 114.7 46.7 -65.5 -39.9 17.6 15.8 3.1 45 55 A A H ><5S+ 0 0 0 -4,-2.4 3,-1.1 -5,-0.3 -2,-0.2 0.934 112.3 50.0 -67.5 -43.1 16.5 14.9 6.6 46 56 A S H 3<5S+ 0 0 29 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.878 114.0 44.6 -62.9 -40.3 17.8 11.3 6.3 47 57 A N T 3<5S- 0 0 80 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.288 114.8-111.3 -89.0 9.8 21.2 12.4 5.1 48 58 A G T < 5 + 0 0 26 -3,-1.1 2,-1.3 -4,-0.3 -3,-0.2 0.758 60.4 152.5 75.0 24.1 21.7 15.3 7.6 49 59 A H >< + 0 0 49 -5,-2.3 4,-2.2 -6,-0.2 -1,-0.2 -0.677 14.6 175.2 -93.4 90.4 21.4 18.3 5.2 50 60 A L H > S+ 0 0 43 -2,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.913 71.9 51.4 -64.1 -55.3 20.1 21.0 7.6 51 61 A E H > S+ 0 0 67 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.910 113.4 49.0 -50.8 -40.7 20.2 24.1 5.4 52 62 A I H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.923 107.3 52.5 -66.7 -44.4 18.3 22.1 2.7 53 63 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.929 112.5 48.7 -54.6 -42.6 15.7 20.9 5.2 54 64 A E H X S+ 0 0 57 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.915 111.7 44.7 -63.7 -50.8 15.2 24.5 6.2 55 65 A V H X S+ 0 0 13 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.863 110.9 55.4 -70.0 -27.9 14.8 26.0 2.8 56 66 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.5 -5,-0.2 3,-0.6 0.950 110.7 45.7 -65.1 -44.5 12.5 23.2 1.7 57 67 A L H ><5S+ 0 0 21 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.897 109.2 54.1 -61.6 -46.1 10.2 23.9 4.6 58 68 A K H 3<5S+ 0 0 146 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.707 110.1 50.6 -63.5 -15.9 10.3 27.7 4.1 59 69 A N T <<5S- 0 0 96 -4,-0.9 -1,-0.3 -3,-0.6 -29,-0.2 -0.015 129.7 -81.7-118.1 25.5 9.1 27.0 0.5 60 70 A G T < 5 + 0 0 51 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.468 66.6 160.5 101.4 2.9 6.2 24.8 1.0 61 71 A A < - 0 0 11 -5,-2.5 2,-0.8 -6,-0.2 -1,-0.2 -0.298 49.3-111.9 -58.1 137.4 7.5 21.2 1.6 62 72 A D > - 0 0 83 1,-0.2 3,-1.6 -32,-0.1 -1,-0.1 -0.651 25.1-159.9 -74.1 110.0 5.0 18.9 3.3 63 73 A V T 3 S+ 0 0 18 -2,-0.8 11,-0.4 1,-0.3 -1,-0.2 0.734 89.1 44.7 -63.8 -23.6 6.6 18.4 6.7 64 74 A N T 3 S+ 0 0 55 8,-0.1 -1,-0.3 30,-0.1 -2,-0.1 0.093 75.0 148.7-109.6 21.5 4.5 15.3 7.2 65 75 A A < - 0 0 13 -3,-1.6 2,-0.5 1,-0.1 -26,-0.1 -0.350 38.0-142.9 -58.5 134.6 4.7 13.6 3.8 66 76 A S - 0 0 81 6,-0.1 6,-0.2 -28,-0.1 -1,-0.1 -0.887 8.2-145.9-102.5 132.8 4.5 9.8 4.2 67 77 A D > - 0 0 12 4,-3.0 3,-1.9 -2,-0.5 -30,-0.3 -0.074 43.1 -80.0 -79.0-173.8 6.6 7.5 2.0 68 78 A L T 3 S+ 0 0 124 -32,-2.5 -31,-0.1 1,-0.3 -1,-0.1 0.766 132.6 49.0 -62.7 -24.1 5.5 4.1 0.8 69 79 A T T 3 S- 0 0 64 -33,-0.4 32,-2.5 2,-0.1 33,-0.3 0.321 123.9-101.9 -94.1 8.9 6.3 2.4 4.1 70 80 A G S < S+ 0 0 10 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.552 75.5 146.1 81.4 10.9 4.4 5.1 6.1 71 81 A I - 0 0 26 29,-0.1 -4,-3.0 -5,-0.1 -1,-0.3 -0.643 30.8-161.3 -86.5 134.5 7.7 6.9 7.1 72 82 A T > - 0 0 3 -2,-0.3 4,-1.7 -6,-0.2 3,-0.2 -0.571 37.2 -99.8-105.0 167.6 7.8 10.7 7.4 73 83 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.893 124.7 55.8 -54.8 -40.0 10.8 13.0 7.4 74 84 A L H > S+ 0 0 0 -11,-0.4 4,-2.2 1,-0.2 5,-0.2 0.888 103.8 53.9 -60.7 -39.6 10.7 13.1 11.2 75 85 A H H > S+ 0 0 0 -3,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.934 111.3 45.8 -60.3 -43.7 10.9 9.3 11.3 76 86 A L H X S+ 0 0 28 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.925 112.6 48.4 -67.4 -42.1 14.1 9.4 9.2 77 87 A A H <>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 4,-0.5 0.878 114.0 47.2 -68.0 -35.1 15.7 12.2 11.2 78 88 A A H ><5S+ 0 0 0 -4,-2.2 3,-0.6 -5,-0.2 -1,-0.2 0.928 115.4 45.6 -72.6 -42.9 15.0 10.5 14.5 79 89 A A H 3<5S+ 0 0 20 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.876 115.2 45.6 -64.6 -41.7 16.2 7.1 13.3 80 90 A T T 3<5S- 0 0 57 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.418 113.2-116.6 -85.5 -0.6 19.4 8.4 11.7 81 91 A G T < 5 + 0 0 27 -3,-0.6 2,-1.4 -4,-0.5 -3,-0.2 0.730 59.1 150.7 78.0 27.9 20.2 10.6 14.7 82 92 A H >< + 0 0 60 -5,-2.3 4,-2.2 1,-0.2 -1,-0.2 -0.693 17.3 176.9 -97.4 88.4 20.0 14.1 13.2 83 93 A L H > S+ 0 0 53 -2,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.904 72.8 48.6 -61.8 -49.3 19.0 15.9 16.3 84 94 A E H > S+ 0 0 112 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.929 111.8 52.0 -61.5 -39.9 19.0 19.4 15.0 85 95 A I H > S+ 0 0 5 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.932 105.6 54.5 -61.0 -41.1 16.9 18.4 12.0 86 96 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.924 108.6 50.0 -55.7 -42.4 14.5 16.7 14.3 87 97 A E H X S+ 0 0 77 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.907 110.1 49.1 -69.4 -34.6 14.1 20.0 16.1 88 98 A V H X S+ 0 0 15 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.931 110.2 50.3 -70.6 -40.8 13.5 21.9 12.9 89 99 A L H <>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 3,-0.5 0.930 111.0 49.1 -58.1 -48.9 10.9 19.5 11.7 90 100 A L H ><5S+ 0 0 19 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.894 107.3 55.0 -58.4 -41.6 9.1 19.7 15.0 91 101 A K H 3<5S+ 0 0 161 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.821 107.9 51.9 -61.8 -28.9 9.2 23.5 14.9 92 102 A H T 3<5S- 0 0 69 -4,-1.4 -1,-0.3 -3,-0.5 -29,-0.2 -0.020 132.2 -82.8-100.9 31.1 7.5 23.4 11.5 93 103 A G T < 5 + 0 0 48 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.537 65.6 167.4 90.3 4.7 4.6 21.2 12.4 94 104 A A < - 0 0 11 -5,-2.4 2,-1.1 -6,-0.2 -1,-0.2 -0.293 45.1-113.8 -53.1 136.8 6.1 17.6 12.1 95 105 A D > - 0 0 77 1,-0.2 3,-1.9 -32,-0.1 -1,-0.1 -0.649 25.4-160.5 -78.4 103.8 3.7 15.1 13.7 96 106 A V T 3 S+ 0 0 18 -2,-1.1 11,-0.4 1,-0.3 -1,-0.2 0.721 88.5 45.8 -58.6 -24.7 5.6 13.9 16.7 97 107 A N T 3 S+ 0 0 40 8,-0.1 -1,-0.3 30,-0.1 -2,-0.1 -0.019 76.7 154.6-111.0 31.0 3.5 10.7 16.9 98 108 A A < - 0 0 7 -3,-1.9 2,-0.5 1,-0.1 -26,-0.1 -0.317 32.4-146.1 -62.2 138.9 3.4 9.7 13.3 99 109 A Y - 0 0 110 6,-0.1 6,-0.2 7,-0.1 -1,-0.1 -0.940 9.9-156.6-108.9 123.2 2.8 5.9 12.9 100 110 A D > - 0 0 14 4,-2.3 3,-2.1 -2,-0.5 -30,-0.3 -0.218 42.8 -81.6 -87.3-173.3 4.4 4.0 10.1 101 111 A N T 3 S+ 0 0 110 -32,-2.5 -31,-0.1 1,-0.3 -1,-0.1 0.769 133.7 47.6 -56.3 -31.1 3.3 0.7 8.5 102 112 A D T 3 S- 0 0 83 -33,-0.3 32,-2.5 2,-0.1 -1,-0.3 0.407 122.1-108.4 -89.3 0.1 4.9 -1.3 11.3 103 113 A G < + 0 0 0 -3,-2.1 2,-0.4 1,-0.3 -2,-0.1 0.688 69.0 150.4 77.8 22.9 3.3 1.0 13.9 104 114 A H - 0 0 21 29,-0.1 -4,-2.3 4,-0.1 -1,-0.3 -0.726 29.1-160.8 -89.6 134.8 6.6 2.7 14.7 105 115 A T > - 0 0 0 -2,-0.4 4,-1.8 -6,-0.2 5,-0.2 -0.547 39.3 -98.1-101.2 170.8 6.6 6.3 15.8 106 116 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.892 125.4 57.7 -56.6 -34.4 9.7 8.5 15.8 107 117 A L H > S+ 0 0 1 -11,-0.4 4,-2.5 1,-0.2 5,-0.2 0.910 103.7 51.8 -63.5 -41.7 10.2 7.8 19.4 108 118 A H H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.893 111.8 46.2 -60.0 -42.9 10.4 4.0 18.7 109 119 A L H X S+ 0 0 16 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.906 112.2 49.1 -72.8 -39.2 13.0 4.6 16.0 110 120 A A H <>S+ 0 0 0 -4,-2.5 5,-2.2 -5,-0.2 -1,-0.2 0.920 112.1 50.2 -63.9 -39.4 15.1 6.9 18.1 111 121 A A H ><5S+ 0 0 0 -4,-2.5 3,-1.3 -5,-0.2 -2,-0.2 0.915 107.2 53.9 -64.8 -41.4 14.9 4.4 21.0 112 122 A K H 3<5S+ 0 0 84 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.899 112.9 42.1 -60.7 -38.9 16.0 1.5 18.8 113 123 A Y T 3<5S- 0 0 124 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.135 112.4-113.8 -98.7 21.0 19.2 3.3 17.6 114 124 A G T < 5 + 0 0 29 -3,-1.3 2,-1.4 1,-0.2 -3,-0.2 0.780 57.6 156.7 59.1 32.2 20.2 4.7 20.9 115 125 A H >< + 0 0 50 -5,-2.2 4,-2.1 1,-0.2 -1,-0.2 -0.668 12.7 175.8 -92.1 85.8 19.7 8.4 20.1 116 126 A L H > S+ 0 0 49 -2,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.917 72.4 49.7 -60.2 -51.8 19.1 9.8 23.6 117 127 A E H > S+ 0 0 102 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.904 110.6 53.0 -56.9 -41.1 18.9 13.6 22.9 118 128 A I H > S+ 0 0 3 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.937 107.2 51.6 -59.6 -44.4 16.3 12.9 20.2 119 129 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.952 110.6 48.5 -59.0 -46.2 14.2 10.9 22.6 120 130 A E H X S+ 0 0 93 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.939 112.6 47.7 -59.5 -46.6 14.3 13.7 25.1 121 131 A V H X S+ 0 0 22 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.929 111.1 50.5 -61.4 -44.7 13.3 16.3 22.5 122 132 A L H <>S+ 0 0 0 -4,-3.1 5,-2.5 1,-0.2 -1,-0.2 0.903 111.5 47.7 -59.7 -41.5 10.5 14.2 21.1 123 133 A L H ><5S+ 0 0 50 -4,-2.4 3,-1.8 -5,-0.2 -1,-0.2 0.917 108.8 54.4 -67.2 -40.1 9.1 13.6 24.6 124 134 A K H 3<5S+ 0 0 172 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.832 108.8 52.1 -60.3 -26.3 9.4 17.4 25.3 125 135 A H T 3<5S- 0 0 92 -4,-1.5 -1,-0.3 -5,-0.2 -29,-0.2 0.142 132.3 -83.6-101.4 21.9 7.4 17.9 22.2 126 136 A G T < 5 + 0 0 47 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.561 63.9 166.8 95.7 9.4 4.5 15.6 23.0 127 137 A A < - 0 0 10 -5,-2.5 2,-0.9 -6,-0.2 -1,-0.2 -0.351 43.5-117.1 -57.9 136.1 5.7 12.1 22.0 128 138 A D > - 0 0 66 1,-0.2 3,-1.6 2,-0.1 -1,-0.1 -0.589 24.9-164.6 -77.3 106.4 3.3 9.4 23.5 129 139 A V T 3 S+ 0 0 49 -2,-0.9 10,-0.5 1,-0.3 11,-0.4 0.809 86.9 52.2 -66.3 -25.4 5.6 7.5 25.7 130 140 A N T 3 S+ 0 0 119 8,-0.1 -1,-0.3 9,-0.1 -2,-0.1 0.390 77.9 131.0 -89.5 3.3 3.1 4.7 25.9 131 141 A A < - 0 0 3 -3,-1.6 8,-0.4 1,-0.0 2,-0.4 -0.305 42.7-154.3 -59.0 141.7 2.7 4.2 22.1 132 142 A Q - 0 0 113 6,-0.1 6,-0.2 7,-0.1 2,-0.1 -0.933 2.6-139.8-120.9 146.4 3.0 0.6 21.0 133 143 A D > - 0 0 10 4,-1.8 3,-2.2 -2,-0.4 -30,-0.2 -0.152 47.0 -78.0 -91.1-172.5 4.0 -0.8 17.6 134 144 A K T 3 S+ 0 0 136 -32,-2.5 -31,-0.1 1,-0.3 -1,-0.1 0.448 131.5 57.1 -67.1 -0.7 2.5 -3.7 15.8 135 145 A F T 3 S- 0 0 147 -33,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.235 117.4-108.9-112.8 10.8 4.5 -5.9 18.1 136 146 A G S < S+ 0 0 38 -3,-2.2 2,-0.3 1,-0.2 -2,-0.1 0.547 74.7 140.1 73.5 9.1 3.1 -4.6 21.3 137 147 A K - 0 0 75 4,-0.1 -4,-1.8 3,-0.0 -1,-0.2 -0.686 38.9-154.8 -89.3 138.9 6.4 -2.9 22.1 138 148 A T > - 0 0 22 -2,-0.3 4,-2.4 -6,-0.2 5,-0.2 -0.493 37.5-100.3-100.4 173.4 6.8 0.6 23.6 139 149 A A H > S+ 0 0 0 -10,-0.5 4,-2.6 -8,-0.4 5,-0.2 0.882 126.6 54.9 -60.1 -35.9 9.8 2.9 23.1 140 150 A F H > S+ 0 0 52 -11,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.936 107.1 47.5 -61.9 -51.4 10.9 1.7 26.6 141 151 A D H > S+ 0 0 48 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.901 113.6 49.3 -54.1 -47.4 10.7 -2.0 25.6 142 152 A I H X S+ 0 0 13 -4,-2.4 4,-1.3 2,-0.2 6,-0.2 0.886 105.5 57.0 -61.8 -39.0 12.7 -1.2 22.4 143 153 A S H <>S+ 0 0 0 -4,-2.6 5,-3.2 1,-0.2 -2,-0.2 0.920 114.1 37.3 -63.2 -42.3 15.4 0.7 24.3 144 154 A I H ><5S+ 0 0 89 -4,-1.7 3,-1.7 3,-0.2 -1,-0.2 0.876 111.6 58.8 -76.3 -35.7 16.3 -2.2 26.6 145 155 A D H 3<5S+ 0 0 89 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.773 111.1 44.9 -63.1 -28.1 15.8 -4.9 23.9 146 156 A N T 3<5S- 0 0 76 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.265 120.1-107.9 -99.5 10.2 18.5 -2.9 22.0 147 157 A G T < 5S+ 0 0 51 -3,-1.7 2,-1.1 1,-0.2 -3,-0.2 0.635 78.2 131.5 80.9 11.4 20.8 -2.5 24.9 148 158 A N >< + 0 0 41 -5,-3.2 4,-1.8 -6,-0.2 3,-0.5 -0.587 16.8 155.2 -97.6 68.4 20.1 1.2 25.3 149 159 A E H > + 0 0 116 -2,-1.1 4,-2.1 1,-0.2 -1,-0.2 0.783 67.9 61.6 -71.2 -27.4 19.5 1.4 29.1 150 160 A D H > S+ 0 0 94 -3,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.858 108.6 44.6 -64.5 -32.3 20.4 5.0 29.4 151 161 A L H >> S+ 0 0 4 -3,-0.5 4,-1.2 2,-0.2 3,-0.6 0.894 108.5 57.9 -75.2 -39.4 17.5 5.8 27.1 152 162 A A H >< S+ 0 0 4 -4,-1.8 3,-0.7 1,-0.3 4,-0.3 0.899 99.4 60.4 -54.7 -41.0 15.4 3.3 29.0 153 163 A E H >< S+ 0 0 139 -4,-2.1 3,-0.6 1,-0.3 -1,-0.3 0.854 107.1 42.8 -61.8 -36.8 16.0 5.3 32.1 154 164 A I H << S+ 0 0 52 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.644 113.4 51.9 -84.5 -14.0 14.4 8.5 30.7 155 165 A L T << 0 0 12 -4,-1.2 -1,-0.2 -3,-0.7 -15,-0.2 0.309 360.0 360.0 -91.5 8.1 11.5 6.7 29.2 156 166 A Q < 0 0 172 -3,-0.6 -3,-0.0 -4,-0.3 -4,-0.0 -0.551 360.0 360.0-102.4 360.0 10.7 5.0 32.4