==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-JUL-04 1U61 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR J.OSIPIUK,P.QUARTEY,S.MOY,F.COLLART,A.JOACHIMIAK,MIDWEST CEN . 127 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8104.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 95 74.8 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 . 4 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 61.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 0 0 1 1 0 0 1 0 0 1 0 0 1 0 0 0 1 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 2 A I 0 0 156 0, 0.0 2,-1.0 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 126.3 37.1 49.2 -2.1 2 3 A D >> - 0 0 92 1,-0.2 4,-1.5 2,-0.0 3,-1.4 -0.788 360.0-177.5-103.2 91.0 39.6 47.4 -4.3 3 4 A A T 34 S+ 0 0 2 -2,-1.0 -1,-0.2 1,-0.3 105,-0.1 0.791 77.2 61.2 -61.5 -34.0 37.8 44.3 -5.3 4 5 A K T 34 S+ 0 0 138 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.685 114.8 35.3 -68.7 -19.9 40.7 42.8 -7.2 5 6 A Q T <4 S+ 0 0 167 -3,-1.4 -2,-0.2 2,-0.1 -1,-0.2 0.602 91.3 111.3-104.2 -18.1 42.8 42.8 -4.1 6 7 A L S < S- 0 0 58 -4,-1.5 5,-0.0 1,-0.1 98,-0.0 -0.295 75.4-105.9 -64.1 136.1 40.1 42.0 -1.5 7 8 A N > - 0 0 96 1,-0.1 4,-2.0 3,-0.0 5,-0.1 -0.192 28.2-114.4 -58.6 151.3 40.4 38.6 0.2 8 9 A S H > S+ 0 0 15 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.771 111.1 57.6 -60.7 -33.8 37.8 35.9 -0.8 9 10 A L H > S+ 0 0 86 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.923 109.9 45.9 -66.1 -43.4 36.0 35.6 2.5 10 11 A A H > S+ 0 0 31 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.896 112.2 51.0 -63.0 -42.0 35.2 39.4 2.4 11 12 A L H X S+ 0 0 8 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.916 113.1 45.6 -59.8 -43.6 34.1 39.1 -1.2 12 13 A A H X S+ 0 0 3 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.881 107.7 57.1 -68.3 -41.4 31.9 36.1 -0.3 13 14 A Y H X S+ 0 0 191 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.933 113.4 41.4 -50.4 -47.6 30.5 38.0 2.7 14 15 A X H X S+ 0 0 65 -4,-2.2 4,-2.1 1,-0.2 3,-0.3 0.942 115.8 48.0 -67.8 -46.1 29.5 40.8 0.3 15 16 A G H X S+ 0 0 0 -4,-2.6 4,-3.1 84,-0.2 5,-0.3 0.802 101.7 63.7 -70.9 -33.2 28.2 38.5 -2.4 16 17 A D H X S+ 0 0 68 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.941 110.4 39.4 -50.1 -51.4 26.1 36.4 0.0 17 18 A A H X S+ 0 0 56 -4,-1.2 4,-2.1 -3,-0.3 -2,-0.2 0.898 114.2 53.9 -69.8 -39.0 24.0 39.5 0.8 18 19 A V H X S+ 0 0 13 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.942 112.1 43.4 -60.8 -47.6 24.0 40.7 -2.9 19 20 A Y H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.896 110.0 57.2 -65.6 -40.1 22.6 37.3 -4.1 20 21 A E H X S+ 0 0 37 -4,-1.7 4,-2.8 -5,-0.3 5,-0.2 0.907 105.4 51.3 -55.7 -44.5 20.1 37.2 -1.2 21 22 A Q H X S+ 0 0 148 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.917 110.7 47.8 -62.9 -46.5 18.7 40.5 -2.3 22 23 A Y H X S+ 0 0 33 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.907 114.4 47.4 -55.8 -46.2 18.2 39.3 -5.9 23 24 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.912 110.4 49.1 -67.3 -45.0 16.6 36.0 -4.7 24 25 A R H X S+ 0 0 147 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.926 112.1 49.6 -63.7 -41.7 14.2 37.6 -2.3 25 26 A Y H X S+ 0 0 165 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.934 110.3 51.8 -58.8 -43.8 13.1 40.1 -4.9 26 27 A H H X S+ 0 0 32 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.934 109.2 49.3 -59.5 -46.5 12.6 37.2 -7.4 27 28 A L H X S+ 0 0 13 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.870 112.5 47.2 -59.9 -39.6 10.5 35.3 -4.9 28 29 A L H < S+ 0 0 118 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.850 110.3 52.9 -72.7 -32.6 8.2 38.3 -4.2 29 30 A Q H < S+ 0 0 129 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.890 109.2 48.0 -73.7 -34.6 7.8 39.1 -7.9 30 31 A K H < S+ 0 0 115 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.857 94.2 166.1 -67.2 -38.1 6.7 35.5 -8.6 31 32 A G < + 0 0 24 -4,-1.5 -1,-0.1 -5,-0.2 -2,-0.1 -0.091 29.7 112.7 61.6-156.9 4.3 35.9 -5.7 32 33 A K + 0 0 211 1,-0.2 2,-0.3 -4,-0.1 -1,-0.1 0.710 60.8 102.4 62.5 27.3 1.5 33.5 -5.0 33 34 A V S S- 0 0 52 -6,-0.1 -1,-0.2 -5,-0.1 5,-0.1 -0.996 75.6-110.8-137.4 147.1 3.0 32.2 -1.8 34 35 A R > - 0 0 166 -2,-0.3 3,-2.2 1,-0.1 4,-0.5 -0.448 33.3-115.6 -75.0 147.5 2.2 32.9 1.8 35 36 A P G > S+ 0 0 90 0, 0.0 3,-1.0 0, 0.0 4,-0.5 0.756 112.1 66.9 -59.6 -25.3 5.0 34.7 3.6 36 37 A N G 3 S+ 0 0 124 1,-0.2 4,-0.4 2,-0.1 3,-0.1 0.688 100.3 51.9 -66.3 -22.3 5.6 31.8 5.9 37 38 A Q G <> S+ 0 0 61 -3,-2.2 4,-2.8 1,-0.1 -1,-0.2 0.559 86.2 85.9 -86.4 -17.6 6.9 29.8 2.9 38 39 A L H <> S+ 0 0 47 -3,-1.0 4,-2.7 -4,-0.5 5,-0.2 0.907 86.9 50.8 -55.6 -47.1 9.4 32.5 1.7 39 40 A H H > S+ 0 0 152 -4,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.952 113.6 45.2 -57.4 -50.3 12.3 31.3 3.9 40 41 A R H > S+ 0 0 148 -4,-0.4 4,-0.9 1,-0.2 -1,-0.2 0.908 113.7 49.5 -62.8 -44.8 11.9 27.7 2.8 41 42 A L H >< S+ 0 0 41 -4,-2.8 3,-0.7 1,-0.2 4,-0.2 0.904 107.7 54.4 -60.2 -42.4 11.6 28.7 -0.9 42 43 A G H >X S+ 0 0 6 -4,-2.7 3,-2.2 1,-0.2 4,-1.7 0.866 97.9 65.2 -59.5 -36.2 14.7 31.0 -0.6 43 44 A T H 3X S+ 0 0 62 -4,-1.7 4,-1.9 1,-0.3 7,-0.3 0.830 92.3 61.5 -56.8 -34.5 16.8 28.0 0.7 44 45 A S H << S+ 0 0 67 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.601 113.7 36.3 -72.5 -9.9 16.4 26.2 -2.6 45 46 A F H <4 S+ 0 0 11 -3,-2.2 -2,-0.2 -4,-0.2 -1,-0.2 0.676 126.6 33.4-103.5 -27.8 18.2 29.2 -4.2 46 47 A V H < S+ 0 0 29 -4,-1.7 -3,-0.2 4,-0.1 -2,-0.2 0.375 84.9 111.7-119.3 3.3 20.8 30.1 -1.5 47 48 A S S X S- 0 0 37 -4,-1.9 4,-2.5 -5,-0.2 5,-0.2 -0.273 79.7-108.7 -70.4 165.3 21.8 26.8 0.2 48 49 A A H > S+ 0 0 23 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.892 120.9 51.8 -58.1 -45.1 25.3 25.4 -0.3 49 50 A K H > S+ 0 0 174 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.901 111.5 47.0 -62.6 -41.8 23.9 22.6 -2.4 50 51 A A H > S+ 0 0 7 -7,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.919 113.6 46.0 -65.9 -45.1 22.1 25.1 -4.7 51 52 A Q H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.889 112.4 51.6 -70.2 -36.0 25.0 27.5 -5.1 52 53 A A H X S+ 0 0 1 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.911 106.1 54.1 -63.3 -43.9 27.3 24.6 -5.8 53 54 A K H X S+ 0 0 110 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.929 108.7 50.3 -55.0 -46.1 24.9 23.2 -8.5 54 55 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.930 110.0 49.6 -58.9 -46.1 25.1 26.7 -10.1 55 56 A V H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.916 109.4 50.9 -61.6 -43.9 28.9 26.7 -10.0 56 57 A Y H X S+ 0 0 103 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.910 111.6 49.0 -57.7 -44.7 29.1 23.2 -11.6 57 58 A H H X S+ 0 0 48 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.928 112.6 47.2 -59.0 -46.7 26.7 24.4 -14.3 58 59 A L H <>S+ 0 0 0 -4,-2.6 5,-1.8 2,-0.2 6,-0.6 0.900 114.8 45.6 -64.6 -43.3 28.8 27.6 -15.0 59 60 A L H ><5S+ 0 0 71 -4,-2.8 3,-0.8 -5,-0.2 -1,-0.2 0.916 112.8 50.9 -65.4 -43.1 32.1 25.7 -15.1 60 61 A E H 3<5S+ 0 0 151 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.888 115.2 40.5 -62.3 -43.4 30.7 22.9 -17.3 61 62 A T T 3<5S- 0 0 63 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.357 104.1-123.2 -89.4 0.4 29.2 25.3 -20.0 62 63 A A T < 5 + 0 0 74 -3,-0.8 -3,-0.2 -4,-0.5 -4,-0.1 0.878 58.4 151.8 57.2 37.8 32.2 27.8 -20.0 63 64 A F < + 0 0 58 -5,-1.8 2,-0.2 -6,-0.2 -4,-0.1 0.796 50.9 68.7 -67.2 -26.9 29.7 30.5 -19.1 64 65 A L S S- 0 0 13 -6,-0.6 2,-0.1 1,-0.1 0, 0.0 -0.611 81.3-119.0-100.9 152.3 32.4 32.5 -17.3 65 66 A T > - 0 0 75 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.282 37.7-103.6 -71.6 167.6 35.5 34.4 -18.5 66 67 A E H > S+ 0 0 180 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.892 123.4 55.4 -63.6 -39.9 39.0 33.3 -17.3 67 68 A E H > S+ 0 0 91 1,-0.2 4,-2.0 2,-0.2 3,-0.2 0.951 110.1 46.6 -53.8 -48.1 39.1 36.3 -14.9 68 69 A E H > S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.859 109.7 52.9 -64.5 -37.2 35.7 35.1 -13.4 69 70 A E H X S+ 0 0 76 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.841 106.2 53.8 -68.9 -29.5 36.9 31.5 -13.1 70 71 A A H X S+ 0 0 33 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.921 105.9 53.2 -70.2 -37.9 40.0 32.7 -11.2 71 72 A V H X S+ 0 0 14 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.931 111.4 46.4 -57.2 -47.5 37.7 34.5 -8.7 72 73 A L H X S+ 0 0 7 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.907 110.5 51.5 -61.1 -47.4 35.8 31.2 -8.2 73 74 A R H >< S+ 0 0 146 -4,-2.5 3,-0.8 1,-0.2 4,-0.3 0.963 115.1 42.8 -56.3 -48.5 39.0 29.2 -7.8 74 75 A R H >< S+ 0 0 163 -4,-2.8 3,-1.5 1,-0.2 -1,-0.2 0.833 106.4 65.9 -61.7 -36.3 40.2 31.7 -5.1 75 76 A G H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.671 86.0 67.0 -70.1 -20.1 36.8 31.8 -3.6 76 77 A R T << S+ 0 0 56 -4,-1.0 2,-0.5 -3,-0.8 3,-0.4 0.847 91.1 126.6 -50.9 -24.8 36.7 28.3 -2.4 77 78 A N < - 0 0 70 -3,-1.5 -69,-0.2 -4,-0.3 -68,-0.2 -0.669 66.7 -30.2-120.6 119.3 39.3 29.0 -0.1 78 79 A A - 0 0 78 -2,-0.5 2,-2.1 -70,-0.1 -1,-0.2 0.511 65.3-156.9 108.3 29.1 40.6 29.1 3.3 79 80 A N - 0 0 9 -3,-0.4 3,-0.0 1,-0.4 -1,-0.0 -0.227 53.6 -74.8 -47.5 10.9 37.2 29.4 4.8 80 81 A S S S- 0 0 93 -2,-2.1 -1,-0.4 3,-0.0 3,-0.1 -0.089 80.8 -97.0 85.2 -8.6 37.6 30.9 8.1 81 82 A G S S+ 0 0 63 1,-0.2 2,-0.3 0, 0.0 -2,-0.2 0.084 100.1 90.0 90.1 -24.8 38.7 27.3 8.6 82 83 A T - 0 0 110 -3,-0.0 -1,-0.2 3,-0.0 3,-0.0 -0.749 62.0-146.1 -99.4 155.5 35.5 25.8 10.0 83 84 A V - 0 0 46 -2,-0.3 3,-0.1 -3,-0.1 4,-0.1 -0.948 32.3 -98.4-112.4 140.5 32.8 24.2 7.9 84 85 A P > - 0 0 62 0, 0.0 3,-1.2 0, 0.0 8,-0.1 -0.280 58.7 -87.1 -54.6 141.7 29.1 24.4 9.0 85 86 A K T 3 S+ 0 0 181 1,-0.2 3,-0.1 -3,-0.0 -3,-0.0 -0.129 107.9 9.0 -56.7 150.8 28.1 21.2 10.7 86 87 A N T 3 S+ 0 0 167 1,-0.2 2,-0.5 -3,-0.1 -1,-0.2 0.752 98.1 129.8 50.6 28.7 26.8 18.2 8.6 87 88 A T < - 0 0 45 -3,-1.2 -1,-0.2 -4,-0.1 2,-0.2 -0.947 65.5-117.0-114.9 128.9 27.8 20.1 5.4 88 89 A D > - 0 0 97 -2,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.468 22.3-136.9 -64.5 132.2 29.9 18.5 2.7 89 90 A V H > S+ 0 0 61 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.911 100.1 46.5 -64.5 -47.5 33.3 20.4 2.5 90 91 A Q H > S+ 0 0 80 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.905 111.9 51.6 -60.2 -43.4 33.5 20.5 -1.3 91 92 A T H > S+ 0 0 25 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.946 111.0 49.4 -56.6 -46.8 29.9 21.6 -1.7 92 93 A Y H X S+ 0 0 47 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.892 109.3 51.4 -62.2 -42.2 30.6 24.4 0.9 93 94 A R H X S+ 0 0 59 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.908 111.0 46.4 -62.6 -44.5 33.7 25.6 -1.0 94 95 A H H X S+ 0 0 32 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.898 113.0 51.5 -65.4 -36.6 31.9 25.8 -4.4 95 96 A S H X S+ 0 0 6 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.957 111.4 46.0 -59.9 -52.7 29.0 27.6 -2.6 96 97 A T H X S+ 0 0 9 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.882 109.5 56.5 -59.2 -38.1 31.5 30.1 -1.0 97 98 A A H X S+ 0 0 1 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.914 103.4 52.7 -61.3 -43.4 33.1 30.5 -4.4 98 99 A F H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.941 109.0 51.0 -55.9 -45.6 29.8 31.5 -6.0 99 100 A E H X S+ 0 0 27 -4,-1.9 4,-2.6 1,-0.2 -84,-0.2 0.883 106.4 54.3 -62.7 -38.1 29.4 34.2 -3.3 100 101 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.905 108.2 49.5 -62.8 -40.7 32.9 35.6 -4.0 101 102 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.912 111.6 47.8 -65.1 -45.8 32.1 36.0 -7.7 102 103 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.928 113.6 48.3 -59.9 -44.6 28.8 37.8 -6.9 103 104 A G H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.909 108.0 55.9 -62.8 -40.2 30.6 40.1 -4.4 104 105 A Y H X S+ 0 0 11 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.929 110.5 42.2 -58.4 -54.0 33.4 40.8 -6.8 105 106 A H H <>S+ 0 0 7 -4,-2.0 5,-2.6 1,-0.2 -1,-0.2 0.852 112.8 54.2 -65.7 -37.5 31.1 42.1 -9.6 106 107 A H H ><5S+ 0 0 79 -4,-2.1 3,-1.6 -5,-0.2 -2,-0.2 0.950 109.6 46.8 -58.4 -48.9 29.0 44.0 -7.1 107 108 A L H 3<5S+ 0 0 32 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.765 112.1 50.4 -73.0 -21.9 32.0 45.9 -5.7 108 109 A L T 3<5S- 0 0 50 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.340 112.4-122.1 -89.8 7.4 33.3 46.6 -9.2 109 110 A N T < 5 + 0 0 145 -3,-1.6 2,-1.4 1,-0.2 3,-0.2 0.807 58.5 152.5 57.4 30.3 29.8 48.0 -10.2 110 111 A N >< + 0 0 61 -5,-2.6 4,-2.4 1,-0.2 -1,-0.2 -0.549 9.0 159.6 -85.0 68.0 29.4 45.4 -13.0 111 112 A R H > + 0 0 180 -2,-1.4 4,-3.1 1,-0.2 -1,-0.2 0.899 67.0 50.2 -60.8 -43.6 25.6 45.4 -12.8 112 113 A E H > S+ 0 0 150 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.927 114.4 43.0 -65.8 -46.2 24.9 44.1 -16.3 113 114 A R H > S+ 0 0 48 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.900 113.8 52.5 -67.3 -37.2 27.3 41.2 -16.0 114 115 A L H X S+ 0 0 4 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.930 107.2 52.1 -65.7 -44.4 26.0 40.5 -12.5 115 116 A D H X S+ 0 0 41 -4,-3.1 4,-3.0 1,-0.2 5,-0.4 0.940 108.8 52.3 -50.1 -50.5 22.4 40.4 -13.7 116 117 A E H X S+ 0 0 84 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.916 112.8 42.9 -55.5 -45.6 23.5 37.9 -16.3 117 118 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.927 117.6 44.7 -69.2 -43.7 25.2 35.6 -13.8 118 119 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.920 113.6 48.5 -71.7 -44.2 22.4 35.8 -11.2 119 120 A Y H X S+ 0 0 128 -4,-3.0 4,-2.2 -5,-0.3 -1,-0.2 0.885 112.4 51.1 -62.7 -35.4 19.5 35.4 -13.8 120 121 A K H X S+ 0 0 75 -4,-1.9 4,-2.6 -5,-0.4 -2,-0.2 0.929 109.0 50.7 -64.5 -43.8 21.4 32.4 -15.1 121 122 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.928 110.6 49.0 -57.2 -47.7 21.7 31.0 -11.6 122 123 A I H X S+ 0 0 10 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.920 111.3 49.2 -58.6 -44.0 18.0 31.4 -11.1 123 124 A A H X S+ 0 0 52 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.911 111.1 50.7 -64.4 -40.2 17.2 29.7 -14.5 124 125 A V H < S+ 0 0 11 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.941 112.3 45.6 -63.0 -45.9 19.5 26.8 -13.6 125 126 A L H < S+ 0 0 30 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.827 115.2 46.7 -71.5 -30.4 17.9 26.3 -10.2 126 127 A E H < 0 0 90 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.718 360.0 360.0 -82.6 -21.6 14.3 26.5 -11.6 127 128 A E < 0 0 196 -4,-1.7 -3,-0.0 -3,-0.3 -4,-0.0 -0.305 360.0 360.0 -58.6 360.0 14.8 24.2 -14.6