==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTON TRANSPORT 13-SEP-11 3VI0 . COMPND 2 MOLECULE: BACTERIORHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM; . AUTHOR T.KOUYAMA,J.ZHANG . 227 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10416.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 88.1 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 . 5 2.2 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 . 1 0.4 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 . 8 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.6 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 0 1 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 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 . 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 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 T 0 0 138 0, 0.0 2,-1.5 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0-146.1 26.7 33.8 7.3 2 6 A G + 0 0 63 2,-0.1 0, 0.0 1,-0.0 0, 0.0 -0.619 360.0 86.0 88.4 -82.7 27.4 31.6 4.3 3 7 A R S > S- 0 0 84 -2,-1.5 3,-2.0 1,-0.2 4,-0.2 -0.280 84.1-127.2 -53.3 133.4 28.6 28.4 6.0 4 8 A P T 3 S+ 0 0 90 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.674 108.0 54.5 -60.2 -17.1 25.4 26.3 6.8 5 9 A E T >> S+ 0 0 2 1,-0.2 4,-1.7 2,-0.1 3,-1.0 0.446 72.9 105.9 -96.5 -0.2 26.5 26.0 10.4 6 10 A W H <> S+ 0 0 102 -3,-2.0 4,-2.9 1,-0.3 5,-0.2 0.813 75.5 59.5 -46.8 -35.4 26.9 29.7 11.0 7 11 A I H 3> S+ 0 0 72 -3,-0.4 4,-2.0 -4,-0.2 -1,-0.3 0.881 102.9 47.4 -66.1 -41.6 23.7 29.6 13.0 8 12 A W H <> S+ 0 0 71 -3,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.855 114.6 50.6 -68.5 -30.7 24.9 27.2 15.6 9 13 A L H X S+ 0 0 3 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.945 111.6 44.4 -70.6 -48.1 28.0 29.4 15.9 10 14 A A H X S+ 0 0 26 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.841 114.4 50.5 -65.3 -33.0 26.1 32.7 16.3 11 15 A L H X S+ 0 0 73 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.891 111.8 48.1 -70.3 -39.7 23.8 31.0 18.8 12 16 A G H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.884 109.8 52.2 -67.0 -39.5 26.8 29.7 20.7 13 17 A T H X S+ 0 0 13 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.929 110.8 48.8 -61.6 -44.1 28.4 33.1 20.6 14 18 A A H X S+ 0 0 47 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.926 112.3 46.7 -62.1 -47.2 25.3 34.6 22.0 15 19 A L H X S+ 0 0 65 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.871 112.8 47.8 -66.5 -38.7 24.9 32.1 24.8 16 20 A M H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.953 113.6 50.8 -65.9 -45.2 28.6 32.3 25.9 17 21 A G H X S+ 0 0 16 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.904 115.0 39.5 -57.3 -47.5 28.2 36.1 25.8 18 22 A L H X S+ 0 0 113 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.874 111.5 58.6 -72.0 -36.8 25.1 36.2 28.0 19 23 A G H X S+ 0 0 7 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.879 108.7 46.4 -58.9 -36.7 26.4 33.5 30.2 20 24 A T H X S+ 0 0 17 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.949 110.2 51.8 -69.9 -49.3 29.4 35.7 30.9 21 25 A L H X S+ 0 0 103 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.927 111.7 47.9 -53.1 -47.0 27.3 38.8 31.5 22 26 A Y H X S+ 0 0 93 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.924 112.9 45.9 -61.8 -48.1 25.2 37.0 34.0 23 27 A F H X S+ 0 0 0 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.893 114.0 51.1 -63.4 -38.6 28.1 35.4 35.9 24 28 A L H >X S+ 0 0 96 -4,-3.2 4,-0.8 2,-0.2 3,-0.6 0.982 113.0 43.6 -59.8 -57.8 29.8 38.8 36.0 25 29 A V H >< S+ 0 0 99 -4,-3.0 3,-1.0 1,-0.3 4,-0.2 0.896 112.6 53.9 -55.2 -42.7 26.7 40.6 37.3 26 30 A K H 3< S+ 0 0 74 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.837 110.0 46.3 -64.0 -31.8 26.1 37.8 39.8 27 31 A G H X< S+ 0 0 18 -4,-1.7 3,-1.1 -3,-0.6 -1,-0.2 0.551 81.1 123.4 -88.2 -4.4 29.7 38.1 41.2 28 32 A M T << S+ 0 0 154 -3,-1.0 2,-0.5 -4,-0.8 -1,-0.2 0.702 83.2 9.2 -18.1 -83.3 29.5 42.0 41.4 29 33 A G T 3 S+ 0 0 78 -4,-0.2 2,-0.6 -3,-0.2 -1,-0.3 -0.592 82.5 146.1-113.1 71.7 30.2 42.7 45.1 30 34 A V < + 0 0 33 -3,-1.1 9,-0.0 -2,-0.5 6,-0.0 -0.929 19.8 179.0-109.2 114.7 31.4 39.4 46.5 31 35 A S + 0 0 108 -2,-0.6 -1,-0.1 4,-0.1 5,-0.1 0.762 44.8 111.9 -86.4 -28.5 34.0 39.8 49.3 32 36 A D > - 0 0 41 1,-0.2 4,-2.5 2,-0.1 3,-0.3 -0.287 62.7-146.9 -50.4 107.9 34.6 36.1 50.3 33 37 A P H > S+ 0 0 80 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.760 97.3 48.1 -51.0 -28.7 38.2 35.6 49.0 34 38 A D H > S+ 0 0 75 2,-0.2 4,-1.9 1,-0.1 5,-0.1 0.869 109.2 50.7 -80.2 -40.2 37.3 31.9 48.2 35 39 A A H > S+ 0 0 0 -3,-0.3 4,-3.0 1,-0.2 5,-0.2 0.898 105.7 59.4 -63.2 -40.3 34.0 32.7 46.4 36 40 A K H X S+ 0 0 123 -4,-2.5 4,-3.5 2,-0.2 5,-0.2 0.897 103.9 48.6 -54.4 -47.8 36.0 35.3 44.3 37 41 A K H X S+ 0 0 98 -4,-1.0 4,-3.2 2,-0.2 5,-0.3 0.971 111.7 49.9 -59.1 -51.8 38.3 32.7 42.9 38 42 A F H X S+ 0 0 9 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.915 115.0 44.2 -53.4 -43.7 35.4 30.5 42.1 39 43 A Y H X S+ 0 0 18 -4,-3.0 4,-2.7 2,-0.2 5,-0.3 0.901 113.4 50.4 -68.0 -41.0 33.7 33.4 40.3 40 44 A A H X S+ 0 0 56 -4,-3.5 4,-1.5 -5,-0.2 -2,-0.2 0.917 115.8 41.5 -64.8 -42.4 36.9 34.5 38.5 41 45 A I H X S+ 0 0 22 -4,-3.2 4,-1.1 -5,-0.2 -2,-0.2 0.967 119.1 44.0 -68.8 -52.8 37.6 31.0 37.2 42 46 A T H < S+ 0 0 2 -4,-2.5 -2,-0.2 -5,-0.3 3,-0.2 0.850 114.3 48.9 -61.3 -38.2 34.0 30.2 36.3 43 47 A T H X S+ 0 0 14 -4,-2.7 4,-1.5 -5,-0.2 -1,-0.2 0.840 107.3 56.7 -72.0 -33.1 33.3 33.6 34.6 44 48 A L H X S+ 0 0 89 -4,-1.5 4,-1.8 -5,-0.3 5,-0.2 0.767 95.9 66.4 -68.9 -27.2 36.5 33.4 32.6 45 49 A V H X S+ 0 0 9 -4,-1.1 4,-2.3 2,-0.2 3,-0.4 0.981 108.0 34.8 -61.9 -57.8 35.5 30.1 31.0 46 50 A P H > S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 -1,-0.2 0.881 111.8 62.8 -67.1 -31.2 32.5 31.5 29.0 47 51 A A H X S+ 0 0 31 -4,-1.5 4,-1.6 1,-0.2 -2,-0.2 0.886 110.5 39.9 -57.4 -38.9 34.3 34.8 28.4 48 52 A I H X S+ 0 0 35 -4,-1.8 4,-2.4 -3,-0.4 5,-0.2 0.901 112.6 54.7 -74.8 -44.6 37.0 32.9 26.4 49 53 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.879 107.0 54.5 -56.4 -37.1 34.4 30.6 24.8 50 54 A F H X S+ 0 0 76 -4,-3.1 4,-2.7 2,-0.2 5,-0.2 0.971 108.2 45.4 -60.9 -57.0 32.7 33.8 23.6 51 55 A T H X S+ 0 0 69 -4,-1.6 4,-1.2 1,-0.2 -2,-0.2 0.872 116.4 47.5 -55.4 -40.8 35.7 35.2 21.9 52 56 A M H X S+ 0 0 36 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.905 111.1 48.0 -71.2 -42.5 36.5 31.9 20.3 53 57 A Y H >X S+ 0 0 4 -4,-2.7 4,-2.5 1,-0.2 3,-0.9 0.949 109.9 53.9 -62.5 -45.9 33.0 31.1 19.0 54 58 A L H 3X S+ 0 0 58 -4,-2.7 4,-2.7 1,-0.3 -1,-0.2 0.843 104.9 55.4 -56.1 -33.3 32.8 34.6 17.6 55 59 A S H 3< S+ 0 0 13 -4,-1.2 6,-1.7 -5,-0.2 4,-0.4 0.833 108.8 47.3 -70.2 -28.9 36.0 33.9 15.7 56 60 A M H << S+ 0 0 3 -4,-1.2 -2,-0.2 -3,-0.9 -1,-0.2 0.880 112.5 48.5 -77.4 -39.7 34.4 30.8 14.2 57 61 A L H < S+ 0 0 40 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.960 114.0 45.7 -62.7 -53.4 31.2 32.7 13.2 58 62 A L S < S- 0 0 130 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.630 118.5-115.1 -65.7 -14.2 33.2 35.5 11.6 59 63 A G S > S+ 0 0 34 -4,-0.4 3,-1.5 -5,-0.2 -3,-0.2 0.120 87.3 109.0 103.4 -22.9 35.4 32.9 9.9 60 64 A Y T 3 S+ 0 0 178 -5,-0.3 2,-0.3 1,-0.3 -4,-0.2 0.949 76.3 53.6 -53.9 -55.2 38.8 33.5 11.5 61 65 A G T 3 S+ 0 0 0 -6,-1.7 16,-1.3 -9,-0.2 2,-0.4 0.198 94.6 92.8 -69.5 21.7 38.8 30.3 13.6 62 66 A L < + 0 0 34 -3,-1.5 2,-0.3 -7,-0.3 13,-0.2 -0.965 47.8 164.2-119.6 132.4 38.2 28.3 10.5 63 67 A T E -A 74 0A 57 11,-2.6 11,-3.4 -2,-0.4 2,-0.4 -0.813 32.4-114.6-134.6 174.6 40.9 26.8 8.4 64 68 A M E -A 73 0A 82 -2,-0.3 7,-0.0 9,-0.3 -2,-0.0 -0.965 23.5-170.0-121.1 132.3 41.1 24.1 5.7 65 69 A V E -A 72 0A 9 7,-3.6 7,-3.6 -2,-0.4 2,-0.5 -0.971 16.5-138.0-123.1 128.3 42.9 20.8 6.0 66 70 A P E +A 71 0A 50 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.728 44.9 129.9 -88.2 124.9 43.6 18.3 3.2 67 71 A F + 0 0 6 3,-2.2 59,-0.1 -2,-0.5 -2,-0.1 -0.898 59.0 31.3-168.7 142.6 43.1 14.7 4.0 68 72 A G S S- 0 0 56 57,-0.4 3,-0.1 -2,-0.3 58,-0.1 0.688 132.5 -61.7 78.2 18.0 41.2 11.8 2.4 69 73 A G S S+ 0 0 82 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.937 119.4 79.4 72.1 47.4 41.8 13.4 -0.9 70 74 A E S S- 0 0 109 2,-0.0 -3,-2.2 -5,-0.0 2,-0.8 -0.975 83.6-101.0-172.8 163.0 40.0 16.6 -0.2 71 75 A Q E -A 66 0A 138 -2,-0.3 -3,-0.0 -5,-0.2 -7,-0.0 -0.871 40.8-164.8-100.3 107.2 40.1 20.0 1.6 72 76 A N E -A 65 0A 15 -7,-3.6 -7,-3.6 -2,-0.8 2,-0.5 -0.749 20.9-120.7 -96.2 137.1 38.2 19.7 4.9 73 77 A P E -A 64 0A 25 0, 0.0 2,-0.5 0, 0.0 -9,-0.3 -0.642 32.8-169.6 -77.9 124.1 37.0 22.7 6.9 74 78 A I E -A 63 0A 1 -11,-3.4 -11,-2.6 -2,-0.5 2,-1.3 -0.966 19.4-146.5-121.3 123.7 38.6 22.5 10.4 75 79 A Y > + 0 0 2 -2,-0.5 3,-1.1 -13,-0.2 4,-0.5 -0.674 23.3 171.8 -88.1 87.9 37.6 24.8 13.2 76 80 A W T >> + 0 0 75 -2,-1.3 3,-1.7 -15,-0.3 4,-1.5 0.865 68.8 73.9 -64.5 -35.5 40.9 25.2 15.1 77 81 A A H 3> S+ 0 0 0 -16,-1.3 4,-2.3 1,-0.3 -1,-0.2 0.776 85.3 66.7 -49.9 -28.9 39.4 27.9 17.4 78 82 A R H <> S+ 0 0 4 -3,-1.1 4,-2.9 -17,-0.3 -1,-0.3 0.928 104.3 44.4 -57.3 -44.0 37.5 25.1 19.2 79 83 A Y H <> S+ 0 0 5 -3,-1.7 4,-3.5 -4,-0.5 -2,-0.2 0.901 110.1 52.5 -67.9 -43.0 40.9 23.8 20.4 80 84 A A H X S+ 0 0 24 -4,-1.5 4,-1.1 2,-0.2 -1,-0.2 0.855 112.8 47.8 -60.2 -37.1 42.3 27.1 21.3 81 85 A D H >X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 3,-0.9 0.983 114.3 44.2 -66.9 -59.4 39.1 27.6 23.4 82 86 A W H 3X S+ 0 0 20 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.880 104.0 66.0 -54.5 -40.5 39.4 24.2 25.0 83 87 A L H 3< S+ 0 0 68 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.874 115.6 27.7 -50.0 -42.2 43.1 24.6 25.6 84 88 A F H S+ 0 0 23 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.893 109.1 51.1 -60.7 -39.3 42.2 23.6 32.8 88 92 A L H X S+ 0 0 35 -4,-0.8 4,-2.5 2,-0.2 -2,-0.2 0.944 108.1 50.3 -63.8 -47.5 40.0 26.3 34.4 89 93 A A H X S+ 0 0 14 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.929 110.7 51.4 -56.2 -41.1 37.2 23.8 34.9 90 94 A L H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.890 107.4 52.8 -62.4 -39.5 39.7 21.5 36.4 91 95 A L H X S+ 0 0 47 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.898 106.1 53.3 -62.3 -42.3 40.9 24.3 38.8 92 96 A D H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.970 111.4 45.1 -56.0 -54.6 37.3 24.8 39.9 93 97 A L H X S+ 0 0 1 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.891 113.9 50.9 -56.4 -40.5 37.0 21.1 40.8 94 98 A A H X>S+ 0 0 2 -4,-2.4 4,-1.9 1,-0.2 5,-1.9 0.908 110.8 46.9 -65.9 -42.4 40.4 21.2 42.5 95 99 A L H <5S+ 0 0 62 -4,-3.1 -2,-0.2 2,-0.2 -1,-0.2 0.886 111.0 52.2 -67.8 -36.7 39.5 24.2 44.6 96 100 A L H <5S+ 0 0 4 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.902 121.0 33.5 -63.7 -39.8 36.2 22.7 45.6 97 101 A V H <5S- 0 0 0 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.598 105.2-125.7 -93.5 -13.9 37.9 19.6 46.7 98 102 A D T <5 - 0 0 118 -4,-1.9 -3,-0.2 -5,-0.2 -4,-0.1 0.933 38.9-164.8 65.7 48.0 41.2 21.2 47.9 99 103 A A < - 0 0 13 -5,-1.9 2,-0.1 1,-0.1 -1,-0.1 -0.192 23.6 -97.1 -64.4 154.0 43.4 19.0 45.7 100 104 A D > - 0 0 93 1,-0.1 4,-2.3 4,-0.0 3,-0.3 -0.438 28.7-122.8 -69.0 144.9 47.2 18.6 46.2 101 105 A Q H > S+ 0 0 171 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.893 112.2 59.9 -56.4 -41.4 49.3 20.9 44.0 102 106 A G H > S+ 0 0 55 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.916 108.6 41.6 -54.6 -46.4 51.0 17.7 42.6 103 107 A T H > S+ 0 0 39 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.866 111.7 56.0 -73.6 -30.0 47.7 16.3 41.4 104 108 A I H X S+ 0 0 39 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.969 108.6 48.1 -63.1 -48.2 46.6 19.7 40.0 105 109 A L H X S+ 0 0 127 -4,-3.2 4,-3.0 1,-0.2 -1,-0.2 0.890 111.4 50.0 -58.2 -40.7 49.8 19.9 38.0 106 110 A A H X S+ 0 0 41 -4,-1.8 4,-4.1 -5,-0.2 5,-0.2 0.947 112.5 46.2 -64.3 -48.6 49.3 16.3 36.6 107 111 A L H X S+ 0 0 3 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.955 115.0 46.6 -58.3 -50.4 45.7 17.0 35.6 108 112 A V H X S+ 0 0 50 -4,-2.9 4,-2.7 -5,-0.2 5,-0.2 0.938 115.7 46.5 -58.2 -47.0 46.7 20.3 34.0 109 113 A G H X S+ 0 0 38 -4,-3.0 4,-2.0 -5,-0.3 -2,-0.2 0.946 113.1 49.0 -59.1 -47.8 49.6 18.6 32.3 110 114 A A H X S+ 0 0 15 -4,-4.1 4,-2.2 1,-0.2 -2,-0.2 0.880 112.4 50.4 -57.5 -39.5 47.3 15.7 31.2 111 115 A D H X S+ 0 0 0 -4,-3.1 4,-2.8 -5,-0.2 5,-0.3 0.897 106.7 51.1 -67.5 -45.5 44.8 18.3 29.9 112 116 A G H X S+ 0 0 29 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.910 112.3 48.6 -60.3 -40.1 47.2 20.3 27.8 113 117 A I H X S+ 0 0 103 -4,-2.0 4,-3.1 -5,-0.2 5,-0.4 0.940 110.1 52.6 -64.2 -45.5 48.4 17.1 26.2 114 118 A M H X S+ 0 0 16 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.953 118.2 34.4 -56.1 -53.7 44.8 16.1 25.6 115 119 A I H X S+ 0 0 12 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.962 121.3 47.4 -69.3 -48.7 43.9 19.3 23.8 116 120 A G H X S+ 0 0 28 -4,-3.0 4,-2.6 -5,-0.3 3,-0.2 0.955 115.5 44.9 -54.6 -53.9 47.2 19.9 22.2 117 121 A T H X S+ 0 0 14 -4,-3.1 4,-1.8 -5,-0.3 -1,-0.2 0.806 113.5 52.5 -59.5 -31.5 47.4 16.3 20.9 118 122 A G H X S+ 0 0 9 -4,-1.6 4,-1.7 -5,-0.4 -1,-0.2 0.849 108.8 49.0 -74.3 -33.8 43.8 16.6 19.9 119 123 A L H X S+ 0 0 50 -4,-2.6 4,-1.8 -3,-0.2 -2,-0.2 0.898 108.7 52.8 -70.8 -40.5 44.6 19.8 17.9 120 124 A V H < S+ 0 0 64 -4,-2.6 4,-0.5 -5,-0.2 3,-0.3 0.936 108.2 53.0 -59.0 -43.6 47.5 18.0 16.2 121 125 A G H >< S+ 0 0 0 -4,-1.8 3,-0.9 1,-0.2 -1,-0.2 0.889 106.6 51.4 -58.7 -40.8 45.1 15.3 15.3 122 126 A A H 3< S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.828 112.8 45.3 -66.4 -33.1 42.6 17.8 13.7 123 127 A L T 3< S+ 0 0 66 -4,-1.8 2,-0.4 -3,-0.3 -1,-0.2 0.339 83.8 118.9 -95.0 6.8 45.4 19.3 11.5 124 128 A T < - 0 0 23 -3,-0.9 6,-0.2 -4,-0.5 -59,-0.0 -0.608 50.3-156.4 -80.9 129.6 47.0 16.1 10.3 125 129 A K S S+ 0 0 140 -2,-0.4 2,-1.1 1,-0.1 -57,-0.4 0.683 75.3 80.7 -75.9 -21.2 47.0 15.6 6.5 126 130 A V S >> S- 0 0 71 1,-0.2 3,-2.2 -59,-0.1 4,-1.1 -0.765 72.9-151.3 -92.3 99.3 47.4 11.8 6.7 127 131 A Y H >> S+ 0 0 94 -2,-1.1 3,-0.8 1,-0.3 4,-0.7 0.809 92.9 54.9 -32.3 -55.3 43.9 10.5 7.3 128 132 A S H >> S+ 0 0 78 1,-0.2 3,-0.6 2,-0.2 4,-0.5 0.819 103.4 55.7 -53.4 -37.8 45.1 7.4 9.1 129 133 A Y H X> S+ 0 0 129 -3,-2.2 4,-1.7 1,-0.2 3,-1.2 0.819 89.6 73.3 -68.3 -32.7 47.2 9.4 11.6 130 134 A R H S+ 0 0 153 -4,-2.7 4,-2.2 -5,-0.3 5,-0.6 0.938 112.4 43.2 -60.6 -47.9 39.7 8.6 36.3 147 151 A V H <>S+ 0 0 26 -4,-2.2 5,-1.7 1,-0.2 4,-0.3 0.856 114.6 49.8 -67.2 -36.1 41.4 10.9 38.8 148 152 A L H <>S+ 0 0 1 -4,-2.4 5,-0.5 3,-0.2 -2,-0.2 0.866 113.9 45.1 -71.7 -35.4 38.4 13.3 39.0 149 153 A F H <5S+ 0 0 82 -4,-2.5 4,-0.3 -5,-0.2 -2,-0.2 0.932 131.0 17.0 -74.3 -47.4 35.9 10.5 39.7 150 154 A F T X5S+ 0 0 108 -4,-2.2 4,-2.0 -5,-0.2 5,-0.2 0.932 128.1 43.3 -91.0 -59.9 37.9 8.5 42.3 151 155 A G H >< S+ 0 0 59 -4,-1.1 3,-1.5 -5,-0.2 -1,-0.2 0.897 108.2 52.3 -70.2 -43.6 38.9 14.3 48.7 156 160 A A H >< S+ 0 0 0 -4,-3.2 3,-2.3 1,-0.3 -2,-0.2 0.772 93.0 74.7 -64.6 -27.9 35.4 15.9 48.7 157 161 A E T 3< S+ 0 0 110 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.613 91.3 57.2 -61.9 -12.6 34.3 13.4 51.3 158 162 A S T < S+ 0 0 97 -3,-1.5 -1,-0.3 -4,-0.1 -2,-0.2 0.479 95.5 80.8 -97.6 -3.5 36.3 15.4 53.8 159 163 A M S < S- 0 0 74 -3,-2.3 -62,-0.0 1,-0.1 5,-0.0 -0.471 96.5 -77.9 -95.6 170.8 34.4 18.6 53.1 160 164 A R >> - 0 0 83 -2,-0.1 4,-2.0 1,-0.1 3,-1.5 -0.367 51.4-100.9 -67.4 148.6 31.0 19.7 54.5 161 165 A P H 3> S+ 0 0 104 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.738 120.4 58.1 -39.2 -41.5 27.9 18.1 52.9 162 166 A E H 3> S+ 0 0 87 1,-0.2 4,-1.9 2,-0.2 62,-0.2 0.920 112.7 41.5 -58.8 -43.4 27.1 21.2 50.7 163 167 A V H <> S+ 0 0 4 -3,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.921 113.7 53.2 -69.0 -45.3 30.6 20.9 49.2 164 168 A A H X S+ 0 0 12 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.943 113.9 40.2 -56.2 -53.4 30.4 17.1 48.9 165 169 A S H X S+ 0 0 67 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.882 113.3 52.8 -68.4 -38.3 27.1 16.9 47.1 166 170 A T H X S+ 0 0 15 -4,-1.9 4,-2.7 -5,-0.3 5,-0.2 0.911 110.7 49.4 -64.4 -38.2 27.8 19.9 44.8 167 171 A F H X S+ 0 0 0 -4,-2.3 4,-3.5 2,-0.2 -1,-0.2 0.917 107.1 54.7 -64.4 -42.1 31.1 18.2 43.8 168 172 A K H X S+ 0 0 48 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.928 111.3 45.1 -56.2 -46.5 29.2 14.9 43.1 169 173 A V H X S+ 0 0 67 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.988 115.6 45.3 -60.8 -58.0 26.9 16.8 40.8 170 174 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.868 113.3 53.3 -52.4 -39.5 29.7 18.6 39.0 171 175 A R H X S+ 0 0 31 -4,-3.5 4,-2.1 -5,-0.2 -1,-0.2 0.928 108.8 46.7 -63.0 -47.7 31.7 15.4 38.9 172 176 A N H X S+ 0 0 74 -4,-2.6 4,-2.0 1,-0.2 5,-0.2 0.878 113.5 50.2 -63.5 -38.0 28.9 13.4 37.2 173 177 A V H X S+ 0 0 39 -4,-2.4 4,-2.7 -5,-0.2 5,-0.3 0.882 110.4 47.5 -68.6 -41.8 28.3 16.2 34.7 174 178 A T H X S+ 0 0 3 -4,-2.3 4,-3.0 -5,-0.2 5,-0.3 0.919 112.0 50.1 -69.1 -39.8 32.0 16.5 33.7 175 179 A V H X S+ 0 0 38 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.967 117.5 39.4 -61.4 -51.6 32.4 12.8 33.2 176 180 A V H X S+ 0 0 100 -4,-2.0 4,-0.9 -5,-0.2 -2,-0.2 0.959 121.1 43.7 -62.2 -52.6 29.4 12.4 31.0 177 181 A L H >X S+ 0 0 24 -4,-2.7 3,-0.9 -5,-0.2 4,-0.7 0.935 113.6 49.2 -60.5 -49.9 30.0 15.7 29.1 178 182 A W H >< S+ 0 0 21 -4,-3.0 3,-1.2 -5,-0.3 -1,-0.2 0.895 106.0 56.0 -59.3 -41.1 33.7 15.2 28.6 179 183 A S H 3X S+ 0 0 51 -4,-1.9 4,-0.7 -5,-0.3 -1,-0.2 0.749 98.3 65.2 -65.8 -18.8 33.4 11.7 27.3 180 184 A A H S+ 0 0 20 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.805 113.8 54.9 -62.4 -24.9 36.0 12.3 21.5 183 187 A V H X S+ 0 0 81 -4,-0.7 4,-2.5 2,-0.2 5,-0.3 0.967 108.4 44.5 -69.7 -55.1 32.8 10.6 20.3 184 188 A V H X S+ 0 0 12 -4,-2.4 4,-1.8 1,-0.2 7,-0.2 0.900 115.0 51.5 -54.7 -41.9 31.5 13.6 18.4 185 189 A W H < S+ 0 0 13 -4,-2.4 6,-0.5 -5,-0.2 5,-0.4 0.914 109.6 49.1 -62.0 -44.3 35.0 14.0 17.0 186 190 A L H < S+ 0 0 60 -4,-2.1 6,-3.4 1,-0.2 8,-0.2 0.879 119.8 35.9 -64.7 -39.5 35.2 10.4 15.9 187 191 A I H < S+ 0 0 47 -4,-2.5 8,-1.4 4,-0.2 7,-0.4 0.609 107.2 84.7 -90.3 -13.2 31.9 10.4 14.1 188 192 A G S >< S- 0 0 0 -4,-1.8 3,-2.2 -5,-0.3 6,-0.2 -0.230 103.5 -82.5 -82.9 176.8 32.2 14.0 12.9 189 193 A S T 3 S+ 0 0 25 1,-0.3 4,-0.2 6,-0.2 -4,-0.1 0.463 123.7 65.3 -59.6 -0.4 33.9 15.3 9.7 190 194 A E T 3 S+ 0 0 1 -5,-0.4 -1,-0.3 2,-0.2 -4,-0.1 0.653 121.1 7.3 -95.5 -20.2 37.3 15.2 11.6 191 195 A G S < S+ 0 0 2 -3,-2.2 2,-0.4 -6,-0.5 -4,-0.2 0.292 134.3 3.0-121.9-107.3 37.3 11.5 12.0 192 196 A A > - 0 0 27 -6,-3.4 2,-0.9 -7,-0.1 3,-0.6 -0.701 69.4-131.6 -84.7 136.7 34.8 9.2 10.3 193 197 A G T 3 + 0 0 67 -2,-0.4 -4,-0.2 1,-0.2 -5,-0.1 -0.119 68.2 125.6 -83.1 43.6 32.4 11.2 8.2 194 198 A I T 3 S+ 0 0 126 -2,-0.9 -1,-0.2 -7,-0.4 -6,-0.2 0.669 75.1 37.9 -72.0 -16.5 29.4 9.5 9.7 195 199 A V S < S- 0 0 26 -8,-1.4 -6,-0.2 -3,-0.6 2,-0.1 -0.992 88.8-113.2-138.2 142.0 28.0 12.9 10.5 196 200 A P >> - 0 0 78 0, 0.0 4,-2.9 0, 0.0 3,-0.9 -0.407 27.7-114.1 -75.7 150.2 28.0 16.3 8.6 197 201 A L H 3> S+ 0 0 19 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.846 116.2 63.8 -47.5 -38.0 29.9 19.3 9.8 198 202 A N H 3> S+ 0 0 57 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.921 111.3 33.1 -54.0 -50.2 26.5 20.9 10.3 199 203 A I H <> S+ 0 0 70 -3,-0.9 4,-2.6 2,-0.2 5,-0.2 0.890 113.8 60.9 -73.4 -42.4 25.5 18.5 13.0 200 204 A E H X S+ 0 0 3 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.877 107.8 46.1 -49.9 -42.3 29.1 18.2 14.3 201 205 A T H X S+ 0 0 3 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.810 110.0 52.5 -73.2 -33.2 28.9 21.9 15.1 202 206 A L H X S+ 0 0 39 -4,-1.0 4,-2.1 -5,-0.2 -2,-0.2 0.860 110.3 48.8 -71.6 -36.7 25.5 21.7 16.7 203 207 A L H X S+ 0 0 54 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.955 111.4 46.7 -68.6 -50.7 26.6 19.0 19.0 204 208 A F H X S+ 0 0 1 -4,-2.0 4,-3.7 -5,-0.2 5,-0.2 0.892 110.6 57.3 -59.1 -35.0 29.8 20.7 20.1 205 209 A M H X S+ 0 0 7 -4,-1.7 4,-3.1 2,-0.2 5,-0.3 0.957 111.8 38.0 -58.9 -54.4 27.7 23.8 20.6 206 210 A V H X S+ 0 0 74 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.894 118.3 50.7 -64.8 -40.4 25.3 22.1 23.0 207 211 A L H X S+ 0 0 24 -4,-3.1 4,-2.0 -5,-0.2 -2,-0.2 0.926 114.5 45.4 -62.9 -43.2 28.2 20.2 24.6 208 212 A D H X S+ 0 0 0 -4,-3.7 4,-2.0 -5,-0.3 5,-0.3 0.924 112.9 46.7 -68.1 -47.2 30.1 23.5 25.0 209 213 A V H X>S+ 0 0 23 -4,-3.1 4,-2.3 -5,-0.2 5,-1.5 0.855 113.9 49.5 -65.6 -33.3 27.3 25.6 26.4 210 214 A S H <>S+ 0 0 45 -4,-2.0 5,-1.9 -5,-0.3 -2,-0.2 0.946 112.9 46.1 -69.0 -47.6 26.4 22.9 28.9 211 215 A A H <5S+ 0 0 18 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.788 125.4 30.2 -65.9 -32.0 29.9 22.5 30.1 212 216 A K H X5S+ 0 0 12 -4,-2.0 4,-0.6 -5,-0.1 -2,-0.2 0.853 132.7 25.3 -98.8 -40.1 30.6 26.2 30.4 213 217 A V H X5S+ 0 0 23 -4,-2.3 4,-2.8 -5,-0.3 -3,-0.2 0.924 127.0 43.8 -87.5 -54.2 27.3 27.9 31.2 214 218 A G H >< S+ 0 0 1 -4,-2.5 3,-1.6 -5,-0.2 6,-0.4 0.954 117.0 48.7 -69.5 -52.6 28.5 25.6 41.0 220 224 A L H 3< S+ 0 0 3 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.661 108.5 53.8 -65.7 -18.2 27.8 29.3 41.3 221 225 A R T 3< S+ 0 0 180 -4,-1.9 -1,-0.3 -5,-0.2 2,-0.2 0.387 97.2 81.1 -97.7 4.5 24.3 28.9 42.6 222 226 A S S X S- 0 0 25 -3,-1.6 3,-0.6 -5,-0.2 -59,-0.0 -0.636 82.7-127.0-102.7 164.3 25.3 26.6 45.4 223 227 A R G > S+ 0 0 142 -2,-0.2 3,-2.7 1,-0.2 -60,-0.1 0.566 90.4 98.7 -84.8 -7.9 26.8 27.6 48.8 224 228 A A G 3 S+ 0 0 5 1,-0.3 -1,-0.2 -62,-0.2 -4,-0.1 0.749 71.9 62.9 -49.7 -29.0 29.6 25.2 48.0 225 229 A I G < S+ 0 0 1 -3,-0.6 2,-0.5 -6,-0.4 -1,-0.3 0.536 84.3 93.3 -77.5 -6.2 31.8 28.1 46.8 226 230 A F < 0 0 65 -3,-2.7 -3,-0.0 1,-0.1 -194,-0.0 -0.777 360.0 360.0 -94.8 128.7 31.8 29.8 50.2 227 231 A G 0 0 86 -2,-0.5 -1,-0.1 0, 0.0 -3,-0.0 0.748 360.0 360.0 -45.0 360.0 34.6 29.1 52.6