==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 29-SEP-03 1R2N . COMPND 2 MOLECULE: BACTERIORHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARIUM; . AUTHOR H.PATZELT,B.SIMON,A.TERLAAK,B.KESSLER,R.KUHNE,P.SCHMIEDER, . 232 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10652.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 206 88.8 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 . 6 2.6 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 . 12 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 63.4 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 2 1 1 1 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 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 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 1 A Q 0 0 198 0, 0.0 3,-0.3 0, 0.0 73,-0.0 0.000 360.0 360.0 360.0-101.5 1.1 -30.9 -2.0 2 2 A A - 0 0 12 1,-0.2 3,-0.2 2,-0.1 0, 0.0 0.670 360.0 -58.2 23.4 91.8 -0.2 -27.5 -0.6 3 3 A Q S S- 0 0 45 1,-0.2 -1,-0.2 73,-0.1 190,-0.0 0.598 76.2-118.4 28.7 65.1 0.1 -24.4 -2.8 4 4 A I + 0 0 120 -3,-0.3 198,-0.2 1,-0.1 2,-0.2 0.036 48.5 151.4 -56.5 137.9 3.9 -24.6 -3.1 5 5 A T + 0 0 22 -3,-0.2 -1,-0.1 3,-0.1 197,-0.0 -0.529 35.5 74.5-136.7-165.2 6.2 -21.8 -1.8 6 6 A G S S+ 0 0 34 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 0.472 115.6 29.3 70.0 2.8 9.6 -20.8 -0.4 7 7 A R S > S+ 0 0 151 -3,-0.1 3,-0.6 0, 0.0 4,-0.2 0.505 104.6 58.6-158.6 -51.3 11.1 -21.2 -3.8 8 8 A P T > S+ 0 0 45 0, 0.0 3,-0.9 0, 0.0 4,-0.2 0.990 109.8 42.8 -64.0 -60.7 9.0 -20.6 -7.0 9 9 A E T 3> S+ 0 0 0 1,-0.2 4,-2.8 2,-0.1 5,-0.2 0.346 81.9 107.1 -67.2 4.3 8.0 -16.9 -6.3 10 10 A W H <> S+ 0 0 125 -3,-0.6 4,-3.3 1,-0.2 -1,-0.2 0.858 78.3 52.5 -51.4 -43.1 11.5 -16.0 -5.2 11 11 A I H <> S+ 0 0 74 -3,-0.9 4,-2.7 -4,-0.2 -1,-0.2 0.935 110.7 47.0 -60.9 -49.6 12.1 -14.1 -8.5 12 12 A W H > S+ 0 0 67 -4,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.945 115.7 44.8 -55.4 -52.6 8.9 -12.1 -7.9 13 13 A L H X S+ 0 0 1 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.952 114.8 48.0 -57.4 -53.6 9.9 -11.4 -4.3 14 14 A A H X S+ 0 0 27 -4,-3.3 4,-2.6 2,-0.2 -1,-0.2 0.877 113.5 48.4 -49.8 -46.8 13.5 -10.5 -5.2 15 15 A L H X S+ 0 0 75 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.902 110.1 50.8 -65.6 -45.0 12.2 -8.3 -8.0 16 16 A G H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 5,-0.3 0.961 111.3 49.5 -49.4 -56.9 9.7 -6.6 -5.6 17 17 A T H X S+ 0 0 13 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.900 111.6 49.0 -49.5 -52.5 12.7 -6.0 -3.2 18 18 A A H X S+ 0 0 49 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.958 114.9 42.4 -54.4 -58.9 14.8 -4.6 -6.1 19 19 A L H X S+ 0 0 75 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.910 116.1 48.5 -58.0 -49.3 12.1 -2.1 -7.3 20 20 A M H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.941 115.0 46.5 -55.2 -51.0 11.1 -1.1 -3.7 21 21 A G H X S+ 0 0 11 -4,-2.7 4,-2.9 -5,-0.3 5,-0.2 0.955 115.4 43.1 -56.3 -58.5 14.8 -0.5 -2.8 22 22 A L H X S+ 0 0 127 -4,-2.9 4,-3.0 2,-0.2 -2,-0.2 0.917 114.1 52.5 -56.2 -45.4 15.7 1.5 -5.9 23 23 A G H X S+ 0 0 6 -4,-2.9 4,-2.3 -5,-0.3 -1,-0.2 0.880 111.9 47.1 -54.8 -42.0 12.4 3.4 -5.6 24 24 A T H X S+ 0 0 13 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.965 113.0 46.3 -59.4 -61.6 13.4 4.2 -2.0 25 25 A L H X S+ 0 0 97 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.879 112.7 53.7 -52.2 -41.0 17.0 5.2 -2.9 26 26 A Y H < S+ 0 0 119 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.948 109.6 44.3 -55.8 -58.1 15.5 7.3 -5.7 27 27 A F H >X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 3,-0.7 0.894 116.9 49.2 -59.6 -38.6 13.1 9.2 -3.4 28 28 A L H 3< S+ 0 0 95 -4,-2.7 2,-1.4 1,-0.2 3,-0.3 0.989 110.4 46.8 -56.2 -67.4 16.0 9.7 -0.9 29 29 A V T 3< S+ 0 0 99 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.1 -0.083 117.6 47.5 -76.4 41.0 18.6 11.0 -3.5 30 30 A K T X4 S+ 0 0 56 -2,-1.4 3,-0.7 -3,-0.7 -1,-0.2 0.379 99.5 61.3-140.9 -44.9 15.9 13.3 -4.8 31 31 A G T 3< S+ 0 0 29 -4,-2.3 -2,-0.1 -3,-0.3 -3,-0.1 0.135 74.0 114.2 -73.0 23.1 14.5 14.8 -1.5 32 32 A M T 3 S+ 0 0 150 -4,-0.1 -1,-0.2 -5,-0.1 -3,-0.1 0.809 80.7 26.7 -59.5 -45.0 18.1 16.2 -0.9 33 33 A G S < S+ 0 0 62 -3,-0.7 -2,-0.1 0, 0.0 -1,-0.0 0.933 75.9 134.4 -87.6 -84.4 17.2 19.9 -1.2 34 34 A V + 0 0 30 -4,-0.2 -3,-0.0 198,-0.1 197,-0.0 0.786 18.0 171.6 33.0 88.8 13.5 20.6 -0.2 35 35 A S + 0 0 108 4,-0.0 -1,-0.1 5,-0.0 5,-0.1 0.933 46.9 100.9 -79.7 -50.8 13.1 23.6 2.1 36 36 A D > - 0 0 48 1,-0.2 4,-2.4 3,-0.1 195,-0.0 -0.155 64.4-147.7 -48.9 117.5 9.3 24.0 2.1 37 37 A P H > S+ 0 0 96 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.751 97.7 53.1 -58.6 -29.6 8.0 22.4 5.4 38 38 A D H >> S+ 0 0 52 2,-0.2 3,-1.3 1,-0.1 4,-1.1 0.986 110.5 43.6 -68.3 -60.6 4.8 21.3 3.5 39 39 A A H 3> S+ 0 0 1 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.845 105.3 67.7 -48.2 -40.0 6.6 19.5 0.7 40 40 A K H 3X S+ 0 0 114 -4,-2.4 4,-2.5 1,-0.2 -1,-0.3 0.863 97.5 51.7 -46.6 -47.4 8.8 18.0 3.4 41 41 A K H X S+ 0 0 57 -4,-2.5 4,-2.0 -5,-0.2 3,-0.7 0.960 116.1 41.9 -52.4 -62.0 8.9 12.0 4.2 45 45 A I H 3X S+ 0 0 16 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.924 116.5 48.4 -48.9 -56.1 5.6 10.0 4.0 46 46 A T H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.666 111.1 50.6 -69.5 -20.3 6.2 8.8 0.4 47 47 A T H S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.896 115.0 51.9 -49.8 -45.3 9.1 2.1 -0.2 51 51 A A H X S+ 0 0 29 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.916 110.6 45.8 -63.6 -46.8 11.4 1.5 2.9 52 52 A I H X S+ 0 0 46 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.970 115.3 48.6 -53.2 -55.5 8.7 -0.5 4.8 53 53 A A H X S+ 0 0 0 -4,-2.4 4,-3.2 -5,-0.2 -2,-0.2 0.877 109.6 51.9 -55.6 -44.9 8.0 -2.4 1.6 54 54 A F H X S+ 0 0 84 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.954 111.2 47.5 -52.6 -56.8 11.8 -3.1 1.0 55 55 A T H X S+ 0 0 79 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.918 117.2 42.8 -49.9 -52.6 12.1 -4.5 4.6 56 56 A M H X S+ 0 0 37 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.938 111.7 51.5 -69.2 -48.1 9.0 -6.7 4.2 57 57 A Y H X S+ 0 0 0 -4,-3.2 4,-2.6 2,-0.2 -2,-0.2 0.901 108.8 54.2 -54.7 -42.5 9.8 -8.0 0.7 58 58 A L H X S+ 0 0 59 -4,-2.6 4,-3.0 -5,-0.2 5,-0.3 0.961 105.7 52.4 -53.3 -54.5 13.3 -8.9 1.9 59 59 A S H < S+ 0 0 14 -4,-2.0 6,-1.8 2,-0.2 4,-0.4 0.837 111.3 46.1 -51.6 -41.1 11.8 -11.0 4.8 60 60 A M H >< S+ 0 0 3 -4,-1.7 3,-1.2 5,-0.2 -1,-0.2 0.958 113.9 48.6 -66.9 -50.9 9.6 -12.9 2.3 61 61 A L H 3< S+ 0 0 48 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.899 114.4 45.5 -48.6 -52.7 12.5 -13.5 -0.1 62 62 A L T 3< S- 0 0 126 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.459 117.3-114.6 -76.9 -5.6 14.8 -14.7 2.8 63 63 A G S X S+ 0 0 33 -3,-1.2 3,-2.2 -4,-0.4 -3,-0.1 -0.106 89.7 104.5 103.3 -34.7 11.9 -16.9 4.2 64 64 A Y T 3 S+ 0 0 178 1,-0.3 -4,-0.2 -5,-0.2 -5,-0.1 0.820 78.1 55.0 -49.3 -43.0 11.2 -15.2 7.6 65 65 A G T 3 S+ 0 0 0 -6,-1.8 16,-1.5 -9,-0.2 2,-0.3 0.370 94.2 90.5 -78.0 3.5 8.0 -13.5 6.4 66 66 A L < + 0 0 33 -3,-2.2 2,-0.3 -7,-0.3 13,-0.2 -0.754 51.2 167.0 -92.2 143.4 6.6 -17.0 5.3 67 67 A T E -A 78 0A 57 11,-1.8 11,-3.1 -2,-0.3 2,-0.4 -0.952 30.9-117.4-145.5 171.2 4.6 -19.2 7.7 68 68 A M E -A 77 0A 106 -2,-0.3 7,-0.1 9,-0.2 8,-0.0 -0.937 24.6-171.7-116.0 136.0 2.4 -22.3 7.4 69 69 A V E -A 76 0A 8 7,-2.8 7,-2.4 -2,-0.4 2,-0.6 -0.985 23.4-126.7-129.6 129.6 -1.4 -22.4 8.3 70 70 A P E +A 75 0A 88 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.656 53.0 130.1 -80.8 116.2 -3.6 -25.4 8.5 71 71 A F E > +A 74 0A 14 3,-1.7 3,-2.0 -2,-0.6 2,-1.8 -0.987 55.9 5.4-156.7 164.4 -6.8 -25.0 6.4 72 72 A G T 3 S- 0 0 63 57,-0.5 60,-0.1 -2,-0.3 3,-0.1 -0.473 128.9 -38.9 67.4 -81.9 -9.0 -26.6 3.7 73 73 A G T 3 S+ 0 0 76 -2,-1.8 -1,-0.3 1,-0.0 2,-0.2 0.375 118.8 28.1-144.8 -3.3 -7.1 -29.9 3.7 74 74 A E E < S-A 71 0A 92 -3,-2.0 -3,-1.7 -5,-0.1 2,-1.0 -0.662 92.0 -59.5-151.6-171.9 -3.3 -29.3 4.0 75 75 A Q E -A 70 0A 140 -5,-0.2 -3,-0.0 -2,-0.2 0, 0.0 -0.765 55.8-156.0 -91.9 93.9 -0.4 -27.1 5.3 76 76 A N E -A 69 0A 4 -7,-2.4 -7,-2.8 -2,-1.0 2,-0.2 -0.622 10.1-131.7 -89.5 120.7 -0.9 -23.8 3.6 77 77 A P E -A 68 0A 4 0, 0.0 2,-0.3 0, 0.0 -9,-0.2 -0.458 30.2-178.7 -61.5 131.9 1.9 -21.4 2.9 78 78 A I E -A 67 0A 0 -11,-3.1 -11,-1.8 -2,-0.2 2,-1.2 -0.982 25.5-145.8-140.2 126.3 1.1 -17.8 4.0 79 79 A Y > + 0 0 4 -2,-0.3 3,-1.5 -13,-0.2 4,-0.4 -0.618 22.1 171.3 -93.6 85.0 3.1 -14.6 3.8 80 80 A W T >> + 0 0 73 -2,-1.2 4,-1.7 -15,-0.3 3,-1.0 0.776 68.6 80.2 -59.3 -28.3 2.1 -12.6 7.0 81 81 A A H 3> S+ 0 0 0 -16,-1.5 4,-2.4 1,-0.3 -1,-0.3 0.777 83.3 65.8 -54.1 -27.5 5.0 -10.1 6.2 82 82 A R H <> S+ 0 0 0 -3,-1.5 4,-2.8 -17,-0.3 -1,-0.3 0.927 103.0 44.2 -54.6 -50.2 2.5 -8.6 3.7 83 83 A Y H <> S+ 0 0 9 -3,-1.0 4,-2.6 -4,-0.4 -2,-0.2 0.898 109.6 55.6 -67.4 -39.9 0.2 -7.5 6.5 84 84 A A H X S+ 0 0 28 -4,-1.7 4,-0.7 2,-0.2 -2,-0.2 0.932 115.1 41.0 -52.5 -50.7 3.2 -6.2 8.5 85 85 A D H >X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 3,-1.4 0.992 116.9 46.0 -52.5 -69.1 4.0 -4.0 5.5 86 86 A W H 3X S+ 0 0 18 -4,-2.8 4,-2.3 1,-0.3 -2,-0.2 0.759 99.2 70.7 -55.5 -35.2 0.4 -3.0 4.6 87 87 A L H 3< S+ 0 0 69 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.841 119.7 17.7 -49.6 -43.4 -0.4 -2.1 8.3 88 88 A F H S+ 0 0 19 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.883 110.5 51.3 -56.8 -43.0 -2.2 4.6 6.4 92 92 A L H X S+ 0 0 39 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.941 107.3 52.8 -60.4 -47.1 0.8 6.6 5.1 93 93 A L H X S+ 0 0 3 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.911 112.0 46.7 -50.9 -48.0 -0.6 6.4 1.5 94 94 A L H X S+ 0 0 2 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.910 107.4 56.3 -58.8 -46.8 -3.9 7.8 3.0 95 95 A L H X S+ 0 0 52 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.842 102.4 56.4 -58.8 -38.3 -2.0 10.6 4.9 96 96 A D H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.951 112.9 40.5 -52.2 -54.1 -0.4 11.8 1.6 97 97 A L H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.887 114.5 52.7 -66.3 -42.1 -4.0 12.3 0.1 98 98 A A H X>S+ 0 0 1 -4,-2.8 5,-2.5 2,-0.2 4,-0.6 0.946 112.8 44.0 -54.7 -54.7 -5.3 13.7 3.4 99 99 A L H <5S+ 0 0 46 -4,-2.8 3,-0.5 3,-0.2 -2,-0.2 0.863 112.0 54.5 -57.3 -41.2 -2.5 16.3 3.5 100 100 A L H <5S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.837 117.4 34.2 -63.8 -38.5 -2.9 17.0 -0.3 101 101 A V H <5S- 0 0 0 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.354 108.0-124.6 -94.8 1.5 -6.7 17.9 0.1 102 102 A D T <5 - 0 0 110 -4,-0.6 -3,-0.2 -3,-0.5 2,-0.2 0.956 41.2-165.6 48.6 53.5 -6.1 19.4 3.6 103 103 A A < - 0 0 10 -5,-2.5 -1,-0.2 1,-0.1 5,-0.1 -0.460 23.9 -94.4 -72.3 145.9 -8.7 17.0 5.1 104 104 A D >> - 0 0 107 -2,-0.2 4,-1.9 1,-0.1 3,-1.0 -0.287 30.1-119.1 -56.5 135.9 -10.2 17.5 8.5 105 105 A Q H 3> S+ 0 0 174 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.785 113.5 63.8 -42.9 -39.7 -8.5 15.7 11.4 106 106 A G H 3> S+ 0 0 55 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.931 106.4 39.4 -47.3 -60.2 -11.9 13.9 11.9 107 107 A T H <> S+ 0 0 55 -3,-1.0 4,-3.1 2,-0.2 -2,-0.2 0.936 112.2 58.0 -62.0 -46.8 -11.9 12.2 8.5 108 108 A I H X S+ 0 0 34 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.887 111.3 41.8 -48.4 -52.9 -8.1 11.4 8.7 109 109 A L H X S+ 0 0 129 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.935 113.5 50.8 -62.6 -51.3 -8.6 9.5 12.0 110 110 A A H X S+ 0 0 43 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.912 115.3 47.2 -49.2 -44.9 -11.8 7.8 10.7 111 111 A L H X S+ 0 0 3 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.931 114.0 42.5 -59.5 -59.9 -9.7 6.8 7.6 112 112 A V H X S+ 0 0 51 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.918 116.2 49.6 -61.0 -46.3 -6.5 5.6 9.4 113 113 A G H X S+ 0 0 38 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.937 111.7 48.6 -56.6 -50.3 -8.6 3.6 12.0 114 114 A A H X S+ 0 0 14 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.906 110.3 51.1 -54.7 -46.9 -10.7 2.1 9.2 115 115 A D H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.923 105.4 57.4 -57.4 -45.4 -7.5 1.1 7.3 116 116 A G H X S+ 0 0 28 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.924 109.0 45.1 -44.0 -55.7 -6.3 -0.5 10.6 117 117 A I H X S+ 0 0 99 -4,-2.0 4,-3.1 2,-0.2 5,-0.4 0.948 109.9 56.1 -55.7 -54.1 -9.4 -2.7 10.6 118 118 A M H X S+ 0 0 25 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.901 116.9 33.6 -46.4 -55.6 -9.0 -3.5 6.8 119 119 A I H X S+ 0 0 9 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.936 119.6 50.7 -68.7 -50.0 -5.4 -4.9 7.2 120 120 A G H X S+ 0 0 28 -4,-2.7 4,-2.5 -5,-0.3 -2,-0.2 0.950 113.2 45.7 -52.5 -54.5 -5.9 -6.4 10.7 121 121 A T H X S+ 0 0 15 -4,-3.1 4,-2.8 -5,-0.2 -1,-0.2 0.896 110.8 55.1 -53.6 -47.0 -9.1 -8.2 9.5 122 122 A G H X S+ 0 0 10 -4,-1.8 4,-3.1 -5,-0.4 -2,-0.2 0.928 108.8 46.6 -49.5 -54.1 -7.1 -9.3 6.4 123 123 A L H X S+ 0 0 57 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.908 111.0 51.5 -57.5 -48.3 -4.4 -10.9 8.7 124 124 A V H X S+ 0 0 64 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.943 113.8 45.9 -52.7 -51.3 -7.0 -12.6 10.8 125 125 A G H >< S+ 0 0 1 -4,-2.8 3,-1.2 2,-0.2 -2,-0.2 0.964 110.3 52.6 -50.1 -61.2 -8.5 -14.0 7.6 126 126 A A H 3< S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.783 119.0 35.9 -47.0 -38.8 -5.0 -15.0 6.2 127 127 A L H 3< S+ 0 0 65 -4,-2.1 2,-0.5 -5,-0.2 -1,-0.3 0.478 84.5 121.0 -99.6 -6.9 -4.3 -17.0 9.4 128 128 A T << - 0 0 14 -3,-1.2 6,-0.2 -4,-1.1 -59,-0.1 -0.505 48.6-158.1 -69.7 116.7 -7.8 -18.4 10.2 129 129 A K S S+ 0 0 131 -2,-0.5 2,-0.8 -58,-0.1 -57,-0.5 0.867 74.0 81.9 -55.4 -49.6 -7.6 -22.2 10.3 130 130 A V S >> S- 0 0 66 1,-0.2 4,-0.8 -59,-0.1 3,-0.8 -0.566 74.1-151.7 -69.7 106.3 -11.4 -22.7 9.7 131 131 A Y H >> S+ 0 0 86 -2,-0.8 3,-1.7 1,-0.2 4,-0.7 0.885 89.2 53.2 -46.9 -59.5 -11.7 -22.3 5.9 132 132 A S H >> S+ 0 0 84 1,-0.3 4,-0.7 2,-0.2 3,-0.6 0.810 105.6 56.1 -46.5 -42.1 -15.3 -21.0 5.7 133 133 A Y H <> S+ 0 0 136 -3,-0.8 4,-1.9 1,-0.2 -1,-0.3 0.715 88.4 74.3 -70.2 -24.6 -14.5 -18.2 8.2 134 134 A R H S+ 0 0 143 -4,-2.3 4,-1.8 -5,-0.2 5,-1.1 0.958 109.0 42.6 -57.3 -58.2 -15.9 6.0 -0.8 151 151 A V H X>S+ 0 0 20 -4,-2.0 5,-2.9 1,-0.2 4,-0.5 0.898 115.8 51.1 -60.5 -40.9 -14.6 9.0 1.2 152 152 A L H <>S+ 0 0 0 -4,-2.5 5,-0.7 3,-0.2 -1,-0.2 0.933 123.1 29.6 -56.7 -49.5 -11.6 9.2 -1.2 153 153 A F H X5S+ 0 0 74 -4,-2.6 4,-0.9 -5,-0.2 5,-0.2 0.993 133.3 25.6 -77.0 -70.3 -13.9 9.3 -4.2 154 154 A F H <5S+ 0 0 128 -4,-1.8 4,-0.3 -5,-0.2 -3,-0.2 0.727 135.0 34.2 -73.8 -21.9 -17.2 10.9 -3.3 155 155 A G T >X< S+ 0 0 67 -4,-1.1 3,-1.2 1,-0.2 -1,-0.2 0.924 114.1 50.9 -57.1 -46.1 -12.8 19.3 -1.3 160 160 A A H >< S+ 0 0 0 -4,-2.8 3,-2.1 1,-0.2 4,-0.4 0.892 100.3 62.0 -56.8 -47.5 -10.0 18.9 -3.9 161 161 A E T 3< S+ 0 0 117 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.602 104.0 53.0 -56.4 -11.3 -12.1 20.7 -6.6 162 162 A S T < S+ 0 0 100 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.233 98.6 68.6-107.1 6.6 -11.9 23.8 -4.3 163 163 A M S < S- 0 0 62 -3,-2.1 -2,-0.1 1,-0.3 -3,-0.1 0.899 107.3 -45.0 -91.9 -92.7 -8.1 24.0 -3.8 164 164 A R > - 0 0 77 -4,-0.4 4,-2.7 1,-0.1 3,-0.4 -0.939 52.4-110.1-138.7 153.9 -5.8 24.9 -6.7 165 165 A P H > S+ 0 0 113 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.911 121.2 51.1 -52.8 -46.2 -6.1 23.6 -10.2 166 166 A E H > S+ 0 0 50 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.810 111.9 46.5 -53.0 -46.0 -2.8 21.7 -9.7 167 167 A V H > S+ 0 0 0 -3,-0.4 4,-3.0 2,-0.2 5,-0.3 0.953 113.5 46.6 -69.2 -53.0 -4.1 20.1 -6.4 168 168 A A H X S+ 0 0 14 -4,-2.7 4,-1.9 -8,-0.3 -2,-0.2 0.907 117.5 45.1 -55.1 -46.8 -7.5 19.1 -7.9 169 169 A S H X S+ 0 0 65 -4,-2.7 4,-2.0 -5,-0.3 -2,-0.2 0.969 116.1 44.7 -60.0 -56.2 -5.7 17.7 -10.9 170 170 A T H X S+ 0 0 7 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.929 112.9 50.4 -57.2 -53.2 -2.9 15.8 -9.0 171 171 A F H X S+ 0 0 0 -4,-3.0 4,-3.4 1,-0.2 -1,-0.2 0.910 109.3 53.5 -49.6 -49.5 -5.4 14.4 -6.3 172 172 A K H X S+ 0 0 68 -4,-1.9 4,-2.5 -5,-0.3 -1,-0.2 0.896 107.3 48.3 -57.2 -48.4 -7.6 13.1 -9.2 173 173 A V H X S+ 0 0 72 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.951 117.5 43.2 -55.9 -49.7 -4.8 11.2 -11.0 174 174 A L H X S+ 0 0 0 -4,-2.2 4,-3.5 2,-0.2 -2,-0.2 0.931 111.1 54.4 -58.5 -51.7 -3.8 9.6 -7.6 175 175 A R H X S+ 0 0 30 -4,-3.4 4,-2.6 2,-0.2 5,-0.2 0.855 111.0 47.2 -47.8 -47.8 -7.5 9.0 -6.6 176 176 A N H X S+ 0 0 81 -4,-2.5 4,-2.3 -5,-0.2 5,-0.2 0.972 114.3 45.0 -58.5 -58.4 -7.9 7.1 -9.9 177 177 A V H X S+ 0 0 40 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.927 117.2 46.3 -51.9 -52.3 -4.6 5.1 -9.4 178 178 A T H X S+ 0 0 1 -4,-3.5 4,-2.9 2,-0.2 5,-0.4 0.935 111.7 48.1 -54.6 -61.1 -5.6 4.4 -5.7 179 179 A V H X S+ 0 0 41 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.922 118.2 42.9 -51.6 -50.1 -9.3 3.3 -6.2 180 180 A V H X S+ 0 0 104 -4,-2.3 4,-0.9 -5,-0.2 -2,-0.2 0.965 118.7 41.5 -59.0 -61.0 -8.2 1.0 -9.1 181 181 A L H >X S+ 0 0 24 -4,-2.8 3,-1.1 -5,-0.2 4,-0.9 0.925 116.0 48.9 -57.5 -51.5 -5.1 -0.6 -7.4 182 182 A W H >< S+ 0 0 13 -4,-2.9 3,-0.9 1,-0.3 -1,-0.2 0.927 106.5 56.8 -55.8 -48.2 -6.7 -1.0 -3.9 183 183 A S H 3X S+ 0 0 59 -4,-2.0 4,-0.6 -5,-0.4 -1,-0.3 0.689 99.8 61.6 -58.6 -21.9 -9.9 -2.6 -5.4 184 184 A A H XX S+ 0 0 28 -3,-1.1 4,-2.5 -4,-0.9 3,-0.6 0.879 88.8 71.2 -69.7 -40.2 -7.6 -5.3 -7.0 185 185 A Y H S+ 0 0 16 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.826 115.4 49.2 -59.2 -34.4 -9.5 -8.3 -2.4 187 187 A V H < S+ 0 0 13 -4,-2.4 3,-1.4 -5,-0.3 6,-0.5 0.951 109.3 49.1 -57.8 -57.6 -6.6 -12.5 -2.5 190 190 A L H 3< S+ 0 0 53 -4,-2.1 6,-2.8 1,-0.3 -2,-0.2 0.840 117.0 40.9 -58.2 -40.4 -9.9 -14.3 -3.0 191 191 A I T 3< S+ 0 0 45 -4,-2.1 8,-2.6 4,-0.2 7,-0.9 0.422 110.4 79.1 -82.7 -5.6 -8.7 -16.2 -6.1 192 192 A G S X S- 0 0 0 -3,-1.4 3,-1.6 -4,-0.3 6,-0.2 -0.129 103.1 -75.4 -97.3-169.3 -5.2 -16.9 -4.6 193 193 A S T 3 S+ 0 0 0 1,-0.3 4,-0.1 4,-0.1 -4,-0.1 0.836 124.5 61.7 -53.2 -40.0 -3.5 -19.2 -2.2 194 194 A E T 3 S+ 0 0 2 -5,-0.2 -1,-0.3 2,-0.1 -4,-0.1 0.595 123.3 1.8 -68.5 -14.9 -5.1 -17.3 0.7 195 195 A G S < S+ 0 0 2 -3,-1.6 2,-0.6 -6,-0.5 -4,-0.2 0.284 126.3 7.3-136.3-104.8 -8.8 -18.1 -0.3 196 196 A A S > S- 0 0 25 -6,-2.8 2,-2.6 -7,-0.2 3,-0.6 -0.884 70.3-126.9 -89.4 127.2 -10.1 -20.3 -3.2 197 197 A G T 3 S+ 0 0 61 -2,-0.6 -5,-0.2 1,-0.2 -4,-0.1 -0.356 71.1 122.4 -72.5 65.4 -7.2 -22.1 -5.1 198 198 A I T 3 S+ 0 0 122 -2,-2.6 -1,-0.2 -7,-0.9 -6,-0.2 0.793 81.0 30.6 -79.6 -42.7 -8.2 -20.8 -8.5 199 199 A V S < S- 0 0 27 -8,-2.6 -1,-0.3 -3,-0.6 2,-0.0 -0.966 91.5-115.9-126.3 133.4 -4.7 -19.3 -8.9 200 200 A P >> - 0 0 74 0, 0.0 4,-2.4 0, 0.0 3,-1.5 -0.328 29.3-107.6 -68.7 153.8 -1.4 -20.6 -7.3 201 201 A L H 3> S+ 0 0 1 1,-0.3 4,-3.3 2,-0.2 5,-0.2 0.825 118.4 67.7 -43.1 -39.8 0.6 -18.7 -4.7 202 202 A N H 3> S+ 0 0 59 -198,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.867 108.4 33.0 -48.4 -52.4 3.1 -18.2 -7.6 203 203 A I H <> S+ 0 0 76 -3,-1.5 4,-3.1 2,-0.2 5,-0.2 0.859 114.9 59.6 -76.0 -40.4 0.7 -15.9 -9.5 204 204 A E H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.945 108.6 45.8 -49.3 -49.8 -0.7 -14.5 -6.2 205 205 A T H X S+ 0 0 0 -4,-3.3 4,-2.4 2,-0.2 -1,-0.2 0.869 114.1 48.1 -57.7 -47.1 2.8 -13.3 -5.3 206 206 A L H X S+ 0 0 41 -4,-1.2 4,-2.5 -5,-0.2 -2,-0.2 0.939 112.2 47.6 -63.2 -52.4 3.4 -11.9 -8.8 207 207 A L H X S+ 0 0 51 -4,-3.1 4,-2.7 2,-0.2 5,-0.2 0.961 114.6 46.3 -52.5 -59.2 0.1 -10.0 -8.9 208 208 A F H X S+ 0 0 1 -4,-2.5 4,-3.4 -5,-0.2 5,-0.2 0.902 110.6 54.2 -52.5 -46.2 0.6 -8.5 -5.4 209 209 A M H X S+ 0 0 8 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.934 112.6 42.3 -52.4 -51.8 4.3 -7.6 -6.4 210 210 A V H X S+ 0 0 79 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.937 118.4 45.7 -60.9 -50.4 3.1 -5.6 -9.5 211 211 A L H X S+ 0 0 23 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.926 114.3 49.2 -55.8 -52.0 0.2 -4.0 -7.5 212 212 A D H X S+ 0 0 0 -4,-3.4 4,-1.9 2,-0.2 -2,-0.2 0.959 111.3 46.4 -55.1 -61.9 2.4 -3.2 -4.5 213 213 A V H X>S+ 0 0 20 -4,-2.5 4,-1.7 1,-0.2 5,-1.5 0.900 115.1 48.8 -54.7 -42.8 5.3 -1.5 -6.6 214 214 A S H <>S+ 0 0 49 -4,-2.1 5,-2.7 -5,-0.2 -1,-0.2 0.961 113.1 46.6 -55.8 -52.6 2.6 0.5 -8.5 215 215 A A H <5S+ 0 0 5 -4,-2.8 -2,-0.2 3,-0.2 -1,-0.2 0.637 125.0 32.2 -69.2 -19.5 0.9 1.6 -5.2 216 216 A K H X5S+ 0 0 4 -4,-1.9 4,-2.1 -3,-0.2 -2,-0.2 0.819 135.9 15.9 -91.4 -74.2 4.3 2.5 -3.6 217 217 A V H X5S+ 0 0 21 -4,-1.7 4,-2.6 2,-0.2 -3,-0.2 0.927 128.0 48.4 -77.4 -49.2 6.6 3.8 -6.3 218 218 A G H >>< S+ 0 0 0 -4,-2.1 3,-2.1 1,-0.2 -2,-0.2 0.953 114.4 46.7 -58.8 -64.7 2.9 12.8 -6.3 224 224 A L T 3< S+ 0 0 8 -4,-2.8 -1,-0.2 1,-0.3 -3,-0.1 0.330 109.9 55.9 -71.5 5.2 6.6 13.9 -5.9 225 225 A R T < S+ 0 0 176 -3,-0.9 -1,-0.3 -5,-0.2 2,-0.2 0.346 102.8 64.7-112.3 0.4 6.9 15.1 -9.5 226 226 A S S < S- 0 0 45 -3,-2.1 2,-1.1 -4,-0.3 -59,-0.0 -0.566 106.0 -72.9-108.0 178.0 3.9 17.6 -9.3 227 227 A R - 0 0 96 -2,-0.2 2,-1.8 1,-0.1 5,-0.2 -0.638 45.6-152.9 -71.6 98.1 3.3 20.7 -7.3 228 228 A A > - 0 0 6 -2,-1.1 3,-0.8 1,-0.2 -186,-0.1 -0.531 57.8 -63.5 -80.9 77.0 2.7 19.2 -3.8 229 229 A I T 3 S- 0 0 29 -2,-1.8 2,-2.3 1,-0.3 -1,-0.2 0.945 112.0 -21.4 40.2 102.2 0.4 22.0 -2.4 230 230 A F T 3 S+ 0 0 140 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 -0.461 132.6 74.6 71.8 -55.4 2.1 25.4 -2.1 231 231 A G < 0 0 6 -2,-2.3 -1,-0.2 -3,-0.8 -3,-0.1 0.034 360.0 360.0 -68.2 169.5 5.4 23.5 -2.2 232 232 A E 0 0 87 -5,-0.2 -1,-0.1 -3,-0.1 -198,-0.1 0.128 360.0 360.0-164.7 360.0 7.6 21.6 -4.7