==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-AUG-10 3ODJ . COMPND 2 MOLECULE: RHOMBOID PROTEASE GLPG; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR C.L.BROOKS,C.LAZARENO-SAEZ,J.S.LAMOUREUX,M.W.MAK,M.J.LEMIEUX . 157 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9223.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 82.8 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 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 0 0 0 1 0 0 0 0 0 0 0 0 0 2 0 0 0 1 1 0 1 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 8 A Q 0 0 135 0, 0.0 2,-0.2 0, 0.0 67,-0.1 0.000 360.0 360.0 360.0 158.0 24.8 7.2 -14.7 2 9 A G > - 0 0 4 65,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.578 360.0-143.4 -92.0 144.4 24.0 10.4 -12.8 3 10 A K H > S+ 0 0 177 -2,-0.2 4,-2.3 2,-0.2 5,-0.1 0.912 105.4 39.1 -68.3 -46.3 26.4 12.9 -11.2 4 11 A I H > S+ 0 0 39 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.919 113.0 57.9 -70.8 -41.3 24.3 13.7 -8.1 5 12 A T H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.912 112.6 41.7 -45.6 -49.9 23.2 10.0 -7.8 6 13 A L H X S+ 0 0 79 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.856 110.9 52.6 -78.1 -37.3 26.9 9.2 -7.6 7 14 A I H X S+ 0 0 100 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.923 116.9 42.8 -56.6 -47.7 27.9 12.0 -5.2 8 15 A L H X S+ 0 0 14 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.937 116.2 45.2 -63.3 -52.6 25.1 10.9 -2.9 9 16 A T H X S+ 0 0 19 -4,-3.1 4,-1.3 -5,-0.3 -2,-0.2 0.921 114.6 50.8 -59.6 -43.4 25.8 7.2 -3.3 10 17 A A H X S+ 0 0 52 -4,-3.0 4,-2.1 1,-0.2 3,-0.3 0.915 108.0 53.9 -53.4 -46.6 29.5 7.9 -2.8 11 18 A L H X S+ 0 0 64 -4,-2.0 4,-2.1 1,-0.2 5,-0.2 0.875 104.7 51.0 -64.2 -38.8 28.7 9.9 0.3 12 19 A C H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.797 110.3 52.4 -70.1 -28.0 26.7 7.2 2.1 13 20 A V H X S+ 0 0 65 -4,-1.3 4,-3.0 -3,-0.3 -2,-0.2 0.941 109.2 46.7 -72.5 -51.3 29.5 4.8 1.5 14 21 A L H X S+ 0 0 125 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.922 114.7 47.4 -52.0 -50.7 32.3 7.0 3.0 15 22 A I H X S+ 0 0 25 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.932 113.4 47.4 -65.0 -43.2 30.2 7.9 6.1 16 23 A Y H >X S+ 0 0 24 -4,-1.8 4,-1.6 -5,-0.2 3,-1.2 0.992 111.6 50.3 -56.2 -60.7 29.3 4.2 6.7 17 24 A I H >X S+ 0 0 89 -4,-3.0 4,-1.9 1,-0.3 3,-0.7 0.884 112.7 47.8 -42.1 -49.4 33.0 3.2 6.2 18 25 A A H 3< S+ 0 0 37 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.792 99.8 65.1 -66.7 -29.1 33.9 5.9 8.8 19 26 A Q H << S+ 0 0 4 -4,-2.1 -1,-0.3 -3,-1.2 -2,-0.2 0.893 109.5 42.4 -59.2 -35.6 31.2 4.8 11.2 20 27 A Q H << S+ 0 0 97 -4,-1.6 2,-2.2 -3,-0.7 -2,-0.2 0.940 100.1 72.1 -70.3 -50.9 33.4 1.6 11.3 21 28 A L S < S- 0 0 137 -4,-1.9 2,-0.4 -5,-0.2 -1,-0.2 -0.357 126.0 -44.3 -71.1 72.0 36.9 3.3 11.5 22 29 A G S S+ 0 0 60 -2,-2.2 2,-0.2 -3,-0.1 3,-0.0 -0.806 115.7 13.6 90.7-147.2 36.6 4.6 15.1 23 30 A F > + 0 0 131 -2,-0.4 4,-0.7 1,-0.2 -3,-0.1 -0.409 27.8 177.0 -90.9 136.8 33.4 6.3 16.2 24 31 A E H > S+ 0 0 55 -2,-0.2 4,-3.8 -5,-0.2 5,-0.4 0.585 84.7 80.3 -78.9 -25.6 29.9 6.5 14.7 25 32 A D H > S+ 0 0 113 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.894 92.8 44.0 -59.1 -43.2 29.2 8.5 17.9 26 33 A D H > S+ 0 0 82 2,-0.2 4,-2.3 3,-0.1 3,-0.4 0.995 119.5 44.6 -53.5 -62.3 30.8 11.7 16.4 27 34 A I H >X S+ 0 0 22 -4,-0.7 4,-1.7 1,-0.2 3,-0.5 0.933 114.8 46.3 -50.0 -63.8 28.9 11.0 13.1 28 35 A M H 3X S+ 0 0 47 -4,-3.8 4,-1.0 1,-0.2 -1,-0.2 0.786 113.2 50.5 -50.7 -35.6 25.5 10.1 14.8 29 36 A Y H 3< S+ 0 0 135 -4,-1.8 -1,-0.2 -3,-0.4 -2,-0.2 0.908 113.1 44.6 -71.6 -39.6 25.6 13.1 17.1 30 37 A L H << S+ 0 0 74 -4,-2.3 -2,-0.2 -3,-0.5 -1,-0.2 0.779 124.4 31.6 -72.8 -26.7 26.4 15.6 14.3 31 38 A M H < S+ 0 0 24 -4,-1.7 18,-0.3 -5,-0.2 -1,-0.2 0.480 82.6 111.0-112.6 -6.6 23.7 14.3 11.8 32 39 A H S < S- 0 0 32 -4,-1.0 73,-0.5 -5,-0.2 -1,-0.1 0.491 80.6 -98.8 -63.2 -21.4 20.8 12.9 13.9 33 40 A Y - 0 0 11 -3,-0.1 -1,-0.1 9,-0.1 13,-0.1 0.319 60.0 -62.4 94.6 127.0 17.8 15.2 13.3 34 41 A P + 0 0 9 0, 0.0 3,-0.1 0, 0.0 6,-0.0 -0.061 54.0 165.3 -47.9 125.2 17.0 17.9 16.0 35 42 A A + 0 0 59 1,-0.1 2,-0.3 67,-0.1 3,-0.1 0.181 66.4 55.2-114.2 12.1 16.1 16.3 19.4 36 43 A Y S > S- 0 0 133 1,-0.1 4,-1.0 0, 0.0 -1,-0.1 -0.994 83.6-119.6-162.5 129.8 16.5 19.6 21.1 37 44 A E T >4 S+ 0 0 173 -2,-0.3 3,-0.7 1,-0.2 4,-0.3 0.888 116.5 48.7 -48.8 -47.5 15.2 23.2 20.9 38 45 A E G >4 S+ 0 0 126 1,-0.2 3,-1.8 2,-0.2 4,-0.5 0.960 105.2 57.1 -55.6 -54.5 18.8 24.5 20.2 39 46 A Q G >4 S+ 0 0 4 1,-0.3 3,-0.5 2,-0.2 -1,-0.2 0.646 84.1 88.2 -56.1 -17.8 19.4 21.9 17.5 40 47 A D G << S+ 0 0 84 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.865 91.8 42.9 -43.0 -47.0 16.3 23.3 15.7 41 48 A S G < S+ 0 0 91 -3,-1.8 2,-1.7 -4,-0.3 -1,-0.2 0.706 83.2 100.9 -80.4 -24.6 18.5 25.9 14.0 42 49 A E X - 0 0 61 -3,-0.5 3,-1.5 -4,-0.5 4,-0.2 -0.474 61.4-171.7 -62.0 88.8 21.3 23.4 13.2 43 50 A V T > + 0 0 96 -2,-1.7 3,-1.3 1,-0.3 4,-0.4 0.726 69.6 67.3 -73.6 -28.7 19.9 23.3 9.7 44 51 A W T >> S+ 0 0 114 1,-0.2 4,-3.2 2,-0.2 3,-1.0 0.714 88.0 76.5 -59.5 -18.2 21.9 20.4 8.1 45 52 A R H <> S+ 0 0 1 -3,-1.5 4,-0.7 1,-0.3 -1,-0.2 0.770 80.3 64.5 -68.8 -27.5 20.0 18.2 10.6 46 53 A Y H <4 S+ 0 0 70 -3,-1.3 -1,-0.3 -4,-0.2 48,-0.2 0.829 123.8 15.6 -62.2 -29.9 16.8 18.2 8.6 47 54 A I H X4 S+ 0 0 31 -3,-1.0 3,-2.9 -4,-0.4 -2,-0.2 0.799 108.6 75.6-109.1 -49.7 18.6 16.3 5.8 48 55 A S H >< S+ 0 0 9 -4,-3.2 3,-3.0 1,-0.3 4,-0.2 0.730 79.0 75.0 -51.7 -35.4 21.9 14.9 7.1 49 56 A H G >< S+ 0 0 2 -4,-0.7 58,-2.5 -18,-0.3 3,-1.2 0.748 86.6 67.4 -47.7 -25.1 20.3 12.0 9.0 50 57 A T G < S+ 0 0 1 -3,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.694 89.9 64.0 -70.0 -19.2 19.8 10.4 5.6 51 58 A L G < S+ 0 0 24 -3,-3.0 2,-0.5 -4,-0.2 -1,-0.2 0.344 87.5 81.2 -89.1 3.3 23.5 9.9 5.2 52 59 A V < - 0 0 0 -3,-1.2 2,-0.3 -4,-0.2 -40,-0.1 -0.950 60.2-163.5-114.4 131.0 23.9 7.5 8.2 53 60 A H - 0 0 0 -2,-0.5 54,-0.1 -41,-0.2 3,-0.1 -0.853 14.5-152.5-115.1 149.4 23.2 3.7 7.8 54 61 A L S S+ 0 0 97 -2,-0.3 2,-0.3 52,-0.2 -1,-0.1 0.546 70.8 5.8-101.8 -4.4 22.7 1.1 10.6 55 62 A S S > S- 0 0 52 1,-0.1 4,-2.1 0, 0.0 5,-0.3 -0.980 74.8 -96.9-169.1 161.0 23.8 -2.1 9.0 56 63 A N H > S+ 0 0 116 -2,-0.3 4,-1.5 1,-0.2 5,-0.1 0.784 127.1 39.8 -52.6 -31.3 25.5 -3.8 5.9 57 64 A L H > S+ 0 0 109 2,-0.2 4,-2.5 3,-0.2 5,-0.5 0.876 106.8 60.4 -88.4 -42.3 21.9 -4.6 4.7 58 65 A H H > S+ 0 0 43 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.878 118.1 34.0 -48.6 -36.6 20.4 -1.3 5.6 59 66 A I H X S+ 0 0 16 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.831 113.8 54.5 -92.7 -35.8 22.9 0.2 3.3 60 67 A L H X S+ 0 0 99 -4,-1.5 4,-2.0 -5,-0.3 5,-0.2 0.932 114.4 43.0 -66.2 -42.4 23.3 -2.3 0.6 61 68 A F H X S+ 0 0 118 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.955 115.8 47.4 -67.6 -50.7 19.5 -2.3 -0.0 62 69 A N H X S+ 0 0 19 -4,-1.2 4,-2.3 -5,-0.5 5,-0.2 0.907 115.2 45.7 -58.1 -44.5 19.2 1.5 0.2 63 70 A L H X S+ 0 0 20 -4,-2.6 4,-2.3 2,-0.2 5,-0.3 0.860 113.2 48.3 -69.4 -35.8 22.1 2.1 -2.2 64 71 A S H X S+ 0 0 45 -4,-2.0 4,-2.4 -5,-0.2 5,-0.2 0.984 116.8 42.8 -65.2 -54.9 21.1 -0.4 -4.8 65 72 A W H X S+ 0 0 122 -4,-2.5 4,-1.3 1,-0.2 5,-0.3 0.812 120.3 42.7 -63.4 -31.8 17.5 0.8 -4.9 66 73 A F H X>S+ 0 0 0 -4,-2.3 4,-1.7 -5,-0.3 5,-0.7 0.821 112.6 51.4 -82.9 -32.6 18.6 4.5 -4.8 67 74 A F H X5S+ 0 0 65 -4,-2.3 4,-2.0 -5,-0.2 -65,-0.2 0.982 114.5 44.1 -63.0 -52.4 21.5 4.2 -7.3 68 75 A I H X5S+ 0 0 87 -4,-2.4 4,-1.3 -5,-0.3 -2,-0.2 0.882 126.9 27.1 -60.3 -46.4 19.2 2.4 -9.8 69 76 A F H X5S+ 0 0 49 -4,-1.3 4,-2.1 2,-0.3 -1,-0.2 0.818 120.3 51.4 -94.4 -37.5 16.1 4.7 -9.5 70 77 A G H X5S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.3 5,-0.3 0.909 108.1 60.1 -57.6 -43.3 17.8 7.9 -8.5 71 78 A G H XX>S+ 0 0 0 -4,-2.1 4,-3.6 1,-0.2 3,-0.7 0.918 113.1 46.4 -60.3 -46.8 15.3 10.5 -12.3 74 81 A E H 3X5S+ 0 0 10 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.953 114.1 46.7 -61.1 -52.7 18.6 12.3 -12.9 75 82 A R H 3<5S+ 0 0 132 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.548 124.7 33.5 -66.3 -10.9 19.1 10.8 -16.4 76 83 A T H <<5S+ 0 0 94 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.2 0.694 133.6 21.0-117.9 -31.2 15.5 11.7 -17.3 77 84 A F H <5S- 0 0 71 -4,-3.6 4,-0.4 1,-0.3 -3,-0.2 0.426 110.6-107.1-119.7 -3.8 14.6 14.9 -15.5 78 85 A G X< - 0 0 30 -4,-1.9 4,-1.2 -5,-0.6 -1,-0.3 -0.350 32.6 -75.0 101.7 176.0 18.0 16.3 -14.8 79 86 A S H > S+ 0 0 48 2,-0.2 4,-2.3 1,-0.1 -1,-0.1 0.818 124.1 57.2 -85.7 -36.3 20.3 16.7 -11.8 80 87 A V H > S+ 0 0 100 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.953 104.5 53.9 -55.5 -52.7 18.4 19.6 -10.2 81 88 A K H > S+ 0 0 35 -4,-0.4 4,-2.3 1,-0.2 5,-0.2 0.921 111.1 45.7 -49.7 -49.4 15.2 17.5 -10.1 82 89 A L H X S+ 0 0 0 -4,-1.2 4,-2.7 2,-0.2 -1,-0.2 0.886 112.4 51.0 -63.9 -37.3 17.1 14.7 -8.3 83 90 A L H X S+ 0 0 74 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.948 110.3 48.5 -64.7 -49.9 18.6 17.2 -5.9 84 91 A M H X S+ 0 0 93 -4,-3.2 4,-4.0 2,-0.2 5,-0.3 0.967 112.9 48.5 -49.3 -61.4 15.3 18.9 -5.0 85 92 A L H X S+ 0 0 1 -4,-2.3 4,-2.5 -5,-0.2 5,-0.4 0.916 113.2 47.8 -46.4 -53.0 13.7 15.4 -4.4 86 93 A Y H X S+ 0 0 14 -4,-2.7 4,-2.4 -5,-0.2 5,-0.2 0.993 117.7 40.9 -49.7 -68.3 16.6 14.4 -2.2 87 94 A V H X S+ 0 0 65 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.870 121.7 40.8 -50.9 -45.3 16.5 17.7 -0.2 88 95 A V H X S+ 0 0 55 -4,-4.0 4,-2.4 -5,-0.2 -1,-0.2 0.924 118.2 44.2 -74.6 -46.4 12.6 17.9 0.0 89 96 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.3 5,-0.2 0.759 113.0 55.3 -65.8 -26.6 11.9 14.2 0.7 90 97 A S H X S+ 0 0 0 -4,-2.4 4,-1.2 -5,-0.4 -2,-0.2 0.970 112.3 40.0 -69.9 -52.0 14.8 14.2 3.2 91 98 A A H X S+ 0 0 33 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.933 120.4 44.6 -62.4 -49.5 13.4 17.1 5.2 92 99 A I H X S+ 0 0 70 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.913 110.1 50.3 -65.5 -49.1 9.8 15.9 5.1 93 100 A T H X S+ 0 0 5 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.823 116.3 47.3 -60.4 -27.8 10.2 12.1 5.8 94 101 A G H X S+ 0 0 0 -4,-1.2 4,-3.1 -5,-0.2 5,-0.3 0.925 107.9 51.3 -75.6 -50.2 12.3 13.2 8.8 95 102 A Y H X S+ 0 0 160 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.917 115.4 46.0 -49.5 -46.1 9.8 15.8 10.0 96 103 A V H X S+ 0 0 43 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.770 112.9 48.9 -67.3 -32.6 7.2 13.0 9.8 97 104 A Q H X>S+ 0 0 22 -4,-1.0 4,-2.4 -5,-0.2 5,-0.5 0.893 107.7 53.7 -77.4 -36.6 9.5 10.5 11.5 98 105 A N H X5S+ 0 0 51 -4,-3.1 4,-2.3 3,-0.2 -2,-0.2 0.917 107.0 53.0 -63.8 -41.2 10.4 12.8 14.4 99 106 A Y H <5S+ 0 0 206 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.925 115.7 35.9 -63.7 -48.8 6.7 13.4 15.2 100 107 A V H <5S+ 0 0 92 -4,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.903 140.5 6.0 -73.1 -37.2 5.6 9.7 15.4 101 108 A S H <5S- 0 0 86 -4,-2.4 3,-0.2 1,-0.3 -3,-0.2 0.469 99.1-110.2-128.6 -2.9 8.8 8.3 17.0 102 109 A G << - 0 0 20 -4,-2.3 2,-0.5 -5,-0.5 -1,-0.3 -0.216 55.8 -50.5 83.5 176.4 11.3 10.9 17.9 103 110 A P S S+ 0 0 41 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.001 96.0 107.6 -87.4 28.0 14.7 11.6 16.4 104 111 A A + 0 0 95 -2,-0.5 2,-0.3 -3,-0.2 -71,-0.1 -0.711 51.2 101.0-108.6 81.0 16.2 8.1 16.4 105 112 A F - 0 0 27 -2,-0.8 2,-0.3 -73,-0.5 -7,-0.0 -0.968 44.2-172.3-156.4 149.4 16.1 7.1 12.7 106 113 A F + 0 0 28 -2,-0.3 -52,-0.2 -56,-0.1 -56,-0.2 -0.999 29.4 31.1-152.0 145.5 18.8 7.0 10.0 107 114 A G S S- 0 0 8 -58,-2.5 4,-0.2 -2,-0.3 3,-0.2 -0.526 78.2 -58.2 109.7-169.4 19.3 6.4 6.3 108 115 A L S > S+ 0 0 0 -50,-0.2 4,-3.7 1,-0.2 -1,-0.1 0.121 86.6 100.2-112.9 9.1 17.9 6.7 2.8 109 116 A S H > S+ 0 0 19 2,-0.2 4,-3.6 -3,-0.2 5,-0.3 0.961 85.2 50.2 -65.2 -51.2 14.6 4.7 2.8 110 117 A G H > S+ 0 0 4 -3,-0.2 4,-2.6 1,-0.2 5,-0.2 0.956 117.0 45.1 -48.7 -49.4 12.3 7.6 3.1 111 118 A V H > S+ 0 0 0 -4,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.954 111.1 50.7 -58.2 -54.7 14.3 9.0 0.2 112 119 A V H X S+ 0 0 7 -4,-3.7 4,-3.4 1,-0.2 5,-0.3 0.906 111.5 50.2 -50.3 -47.3 14.3 5.8 -1.8 113 120 A Y H X S+ 0 0 98 -4,-3.6 4,-3.4 2,-0.2 -1,-0.2 0.931 110.2 47.2 -60.5 -51.0 10.5 5.6 -1.3 114 121 A A H X S+ 0 0 0 -4,-2.6 4,-3.0 -5,-0.3 5,-0.2 0.947 113.5 51.7 -45.9 -51.1 9.9 9.2 -2.5 115 122 A V H X S+ 0 0 1 -4,-3.1 4,-1.6 1,-0.2 3,-0.2 0.963 115.0 39.2 -54.5 -60.2 12.2 8.3 -5.4 116 123 A L H X S+ 0 0 42 -4,-3.4 4,-2.8 1,-0.2 -1,-0.2 0.813 113.2 58.6 -55.7 -35.2 10.2 5.1 -6.3 117 124 A G H X S+ 0 0 0 -4,-3.4 4,-1.8 -5,-0.3 -2,-0.2 0.937 109.0 43.4 -60.5 -45.3 7.0 7.1 -5.5 118 125 A Y H X S+ 0 0 0 -4,-3.0 4,-1.3 -3,-0.2 -2,-0.2 0.767 115.3 48.2 -72.5 -29.6 7.9 9.7 -8.2 119 126 A V H X S+ 0 0 25 -4,-1.6 4,-3.5 -5,-0.2 5,-0.2 0.939 108.9 54.0 -78.6 -47.3 9.0 7.1 -10.8 120 127 A F H X S+ 0 0 116 -4,-2.8 4,-3.8 2,-0.2 5,-0.2 0.925 113.0 40.2 -47.0 -58.9 5.9 4.9 -10.3 121 128 A I H X S+ 0 0 20 -4,-1.8 4,-2.4 2,-0.2 5,-0.3 0.984 117.8 47.7 -60.6 -54.4 3.4 7.7 -11.0 122 129 A R H X S+ 0 0 34 -4,-1.3 4,-3.0 2,-0.2 5,-0.3 0.918 117.7 43.0 -52.9 -47.1 5.4 9.2 -13.8 123 130 A D H X S+ 0 0 96 -4,-3.5 4,-2.5 1,-0.2 -1,-0.2 0.977 110.6 55.6 -57.8 -59.0 5.8 5.7 -15.3 124 131 A K H < S+ 0 0 150 -4,-3.8 -2,-0.2 -5,-0.2 -1,-0.2 0.783 121.2 30.3 -40.6 -38.2 2.1 4.8 -14.7 125 132 A L H < S+ 0 0 79 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.906 136.6 16.7 -92.3 -48.9 1.1 7.9 -16.7 126 133 A N H < 0 0 90 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.244 360.0 360.0-119.1 11.2 3.7 8.7 -19.4 127 134 A H < 0 0 180 -4,-2.5 -4,-0.1 -5,-0.3 -3,-0.1 0.330 360.0 360.0 -11.8 360.0 5.7 5.4 -19.6 128 ! 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 0.0 129 166 A N > 0 0 127 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 25.4 8.1 3.3 8.7 130 167 A A H > + 0 0 15 2,-0.2 4,-2.9 3,-0.1 5,-0.3 0.846 360.0 55.0 -73.3 -39.7 6.4 6.8 8.8 131 168 A A H > S+ 0 0 13 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.952 105.7 50.9 -54.1 -55.7 9.4 7.9 6.7 132 169 A H H > S+ 0 0 62 2,-0.2 4,-3.2 1,-0.2 -2,-0.2 0.924 116.7 38.9 -47.7 -56.6 8.7 5.1 4.0 133 170 A I H X S+ 0 0 85 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.948 118.1 45.9 -64.8 -52.5 5.0 6.1 3.6 134 171 A S H X S+ 0 0 15 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.853 115.0 50.9 -61.9 -32.2 5.4 9.8 3.8 135 172 A G H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.3 -2,-0.2 0.977 108.7 49.2 -63.7 -59.2 8.3 9.4 1.4 136 173 A L H X S+ 0 0 62 -4,-3.2 4,-3.0 1,-0.2 -2,-0.2 0.877 112.5 50.7 -40.8 -45.4 6.2 7.4 -1.0 137 174 A I H X S+ 0 0 83 -4,-2.6 4,-3.8 2,-0.2 5,-0.3 0.949 106.5 51.3 -67.3 -48.4 3.6 10.1 -0.7 138 175 A V H X S+ 0 0 19 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.889 116.3 45.1 -54.5 -39.6 6.0 12.9 -1.4 139 176 A G H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 1.000 113.9 45.0 -62.5 -73.7 7.0 10.9 -4.5 140 177 A L H X S+ 0 0 58 -4,-3.0 4,-1.4 1,-0.2 -2,-0.2 0.831 119.4 44.0 -38.0 -48.9 3.5 10.0 -5.7 141 178 A I H >X S+ 0 0 99 -4,-3.8 4,-2.2 -5,-0.2 3,-0.6 0.989 113.3 48.7 -63.3 -62.7 2.3 13.6 -5.2 142 179 A W H 3X S+ 0 0 40 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.813 110.6 50.3 -46.0 -48.1 5.4 15.4 -6.7 143 180 A G H 3X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 -1,-0.3 0.904 109.3 51.6 -61.4 -43.9 5.4 13.3 -9.9 144 181 A F H X S+ 0 0 137 -4,-2.9 4,-1.9 2,-0.2 3,-1.0 0.990 110.7 40.5 -54.1 -79.9 4.3 18.7 -18.5 151 188 A K H 3X S+ 0 0 119 -4,-2.2 4,-0.6 1,-0.2 -2,-0.2 0.809 108.9 67.6 -38.1 -39.7 1.1 17.8 -20.3 152 189 A N H >< S+ 0 0 60 -4,-2.2 3,-0.8 -5,-0.3 4,-0.3 0.941 109.0 31.8 -48.1 -58.2 -0.0 21.4 -19.7 153 190 A S H X< S+ 0 0 76 -4,-1.9 3,-1.9 -3,-1.0 -1,-0.2 0.858 108.5 67.5 -74.0 -35.4 2.6 23.0 -22.0 154 191 A L H >< S+ 0 0 86 -4,-1.9 3,-1.0 1,-0.3 -1,-0.2 0.597 86.5 76.4 -53.7 -12.1 2.7 20.0 -24.5 155 192 A E T << S+ 0 0 140 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.820 93.0 47.0 -76.6 -32.3 -0.8 21.2 -25.3 156 193 A L T < S+ 0 0 173 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.1 -0.256 101.8 93.9 -97.2 45.2 0.5 24.2 -27.3 157 194 A V < 0 0 92 -3,-1.0 -3,-0.0 -2,-0.0 0, 0.0 -0.999 360.0 360.0-141.1 137.7 3.0 21.9 -29.2 158 195 A P 0 0 177 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.503 360.0 360.0 -34.1 360.0 3.0 19.9 -32.6