==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 11-JUN-04 1TN0 . COMPND 2 MOLECULE: BACTERIORHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARUM; . AUTHOR S.YOHANNAN,D.YANG,S FAHAM,G.BOULTING,J.WHITELEGGE,J.U.BOWIE . 454 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19589.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 388 85.5 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 . 12 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 . 2 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 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 292 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 3.5 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 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 2 4 2 2 0 2 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 2 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 . 2 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 0 184 0, 0.0 58,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -61.6 24.6 72.8 12.4 2 6 A G - 0 0 54 1,-0.1 5,-0.1 4,-0.0 4,-0.1 0.771 360.0-164.7 92.6 29.9 22.5 70.3 10.4 3 7 A R > - 0 0 71 1,-0.1 3,-2.7 2,-0.1 4,-0.3 -0.121 29.9-111.3 -50.3 137.4 24.8 69.3 7.5 4 8 A P T > S+ 0 0 90 0, 0.0 3,-0.8 0, 0.0 4,-0.2 0.737 114.1 53.0 -38.9 -42.0 23.1 67.5 4.6 5 9 A E T 3> S+ 0 0 2 1,-0.2 4,-1.5 2,-0.2 3,-0.4 0.379 79.6 93.7 -84.0 5.6 24.8 64.1 5.2 6 10 A W H <> S+ 0 0 122 -3,-2.7 4,-2.3 1,-0.3 -1,-0.2 0.847 80.0 61.2 -65.6 -29.8 23.8 64.0 8.9 7 11 A I H <> S+ 0 0 68 -3,-0.8 4,-1.4 -4,-0.3 -1,-0.3 0.901 104.9 47.4 -61.2 -37.7 20.8 62.0 7.7 8 12 A W H > S+ 0 0 72 -3,-0.4 4,-1.4 -4,-0.2 -1,-0.2 0.812 110.0 51.6 -72.6 -32.0 23.3 59.4 6.4 9 13 A L H X S+ 0 0 3 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.804 107.6 54.7 -70.6 -32.8 25.3 59.4 9.7 10 14 A A H X S+ 0 0 29 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.835 109.7 45.3 -69.3 -36.7 22.0 58.8 11.4 11 15 A L H X S+ 0 0 73 -4,-1.4 4,-2.3 2,-0.2 5,-0.2 0.773 111.8 53.3 -77.2 -27.4 21.3 55.7 9.3 12 16 A G H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.915 109.2 46.8 -72.5 -44.1 24.8 54.5 9.8 13 17 A T H X S+ 0 0 10 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.911 115.0 49.6 -61.0 -44.0 24.6 54.7 13.6 14 18 A A H X S+ 0 0 28 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.938 112.1 43.5 -62.2 -53.4 21.3 53.0 13.5 15 19 A L H X S+ 0 0 63 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.931 115.5 49.5 -61.4 -43.5 22.2 50.1 11.3 16 20 A M H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.794 108.9 53.4 -65.1 -31.5 25.5 49.5 13.2 17 21 A G H X S+ 0 0 1 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.859 109.8 47.1 -72.7 -37.0 23.7 49.6 16.5 18 22 A L H X S+ 0 0 84 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.967 111.2 50.2 -68.6 -51.9 21.2 46.9 15.5 19 23 A G H X S+ 0 0 7 -4,-2.5 4,-2.3 1,-0.2 5,-0.3 0.875 108.5 55.5 -53.0 -40.3 23.9 44.6 14.1 20 24 A T H X S+ 0 0 20 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.953 110.2 42.4 -56.9 -56.0 25.9 45.0 17.3 21 25 A L H X S+ 0 0 7 -4,-1.7 4,-3.1 1,-0.2 -1,-0.2 0.867 113.2 52.4 -61.3 -41.8 23.0 43.8 19.5 22 26 A Y H X S+ 0 0 99 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.899 113.9 42.8 -64.0 -41.2 22.0 41.0 17.3 23 27 A F H X S+ 0 0 1 -4,-2.3 4,-2.9 -5,-0.2 -2,-0.2 0.889 114.6 51.3 -70.7 -41.1 25.6 39.6 17.2 24 28 A L H X S+ 0 0 31 -4,-2.6 4,-1.8 -5,-0.3 -2,-0.2 0.969 113.9 43.7 -57.1 -54.7 26.0 40.2 20.9 25 29 A V H < S+ 0 0 11 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.880 118.9 43.1 -55.8 -47.4 22.7 38.3 21.6 26 30 A K H >< S+ 0 0 62 -4,-2.3 3,-0.8 -5,-0.2 -1,-0.2 0.813 113.1 53.6 -70.0 -35.5 23.6 35.5 19.1 27 31 A G H >< S+ 0 0 6 -4,-2.9 3,-0.8 1,-0.2 -2,-0.2 0.801 104.7 52.4 -74.2 -28.4 27.2 35.3 20.3 28 32 A M T 3< S+ 0 0 41 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.1 0.187 103.2 57.3 -94.8 15.7 26.4 34.8 24.0 29 33 A G T < S+ 0 0 53 -3,-0.8 2,-0.5 -5,-0.1 -1,-0.2 0.001 89.0 96.8-125.3 17.4 24.1 31.9 23.5 30 34 A V < - 0 0 22 -3,-0.8 9,-0.0 1,-0.1 -3,-0.0 -0.955 47.8-177.9-113.4 126.7 26.8 30.0 21.7 31 35 A S + 0 0 110 -2,-0.5 -1,-0.1 4,-0.0 -4,-0.0 0.615 48.4 108.6-100.1 -16.9 28.8 27.5 23.6 32 36 A D > - 0 0 40 1,-0.1 4,-2.1 2,-0.1 5,-0.1 -0.428 65.2-140.5 -64.8 133.6 31.3 26.4 21.0 33 37 A P H > S+ 0 0 100 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.816 100.2 40.4 -63.6 -37.3 34.8 27.7 21.7 34 38 A D H > S+ 0 0 62 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.852 113.3 53.4 -80.0 -37.9 35.7 28.5 18.0 35 39 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.936 107.0 55.1 -58.8 -41.7 32.3 29.9 17.3 36 40 A K H X S+ 0 0 84 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.858 104.5 54.0 -56.9 -38.6 33.0 32.0 20.4 37 41 A K H X S+ 0 0 111 -4,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.956 111.6 41.8 -59.2 -58.8 36.2 33.3 18.7 38 42 A F H X S+ 0 0 5 -4,-2.1 4,-2.6 187,-0.2 5,-0.2 0.851 115.2 52.3 -60.8 -37.2 34.6 34.4 15.5 39 43 A Y H X S+ 0 0 11 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.915 108.1 48.7 -69.7 -41.7 31.7 35.9 17.5 40 44 A A H X S+ 0 0 66 -4,-2.5 4,-0.8 -5,-0.2 -2,-0.2 0.955 115.9 45.2 -61.7 -46.9 33.8 38.0 19.8 41 45 A I H >X S+ 0 0 23 -4,-2.3 3,-1.0 -5,-0.2 4,-0.9 0.972 117.2 41.6 -60.7 -58.2 35.8 39.3 16.9 42 46 A T H >< S+ 0 0 1 -4,-2.6 3,-0.8 1,-0.2 -1,-0.2 0.882 110.7 55.1 -58.6 -45.0 32.9 40.1 14.6 43 47 A T H 3< S+ 0 0 19 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.685 104.5 57.8 -64.3 -18.2 30.6 41.6 17.3 44 48 A L H S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.882 108.1 53.9 -64.0 -36.0 30.0 47.0 14.5 47 51 A P H > S+ 0 0 37 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.917 106.7 52.8 -61.7 -40.8 30.1 48.8 17.9 48 52 A I H X S+ 0 0 33 -4,-1.3 4,-1.7 1,-0.2 5,-0.1 0.897 112.5 45.5 -57.0 -44.8 33.5 50.6 17.0 49 53 A A H X S+ 0 0 0 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.854 110.1 57.4 -67.2 -35.9 31.8 51.8 13.8 50 54 A F H X S+ 0 0 25 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.946 107.2 44.0 -60.7 -52.4 28.7 52.8 15.8 51 55 A T H X S+ 0 0 63 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.920 113.9 50.5 -63.4 -42.3 30.5 55.1 18.2 52 56 A M H X S+ 0 0 37 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.811 112.4 47.9 -65.2 -29.4 32.6 56.8 15.4 53 57 A Y H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.889 110.9 52.1 -76.2 -37.9 29.3 57.3 13.5 54 58 A L H X S+ 0 0 27 -4,-2.6 4,-3.4 2,-0.2 -2,-0.2 0.952 107.8 49.5 -59.5 -55.5 27.7 58.7 16.6 55 59 A S H <>S+ 0 0 18 -4,-2.6 5,-3.5 1,-0.2 -1,-0.2 0.867 112.8 48.1 -51.2 -45.6 30.4 61.3 17.3 56 60 A M H ><5S+ 0 0 5 -4,-1.3 3,-1.3 3,-0.3 -1,-0.2 0.908 111.2 49.4 -64.2 -45.2 30.3 62.5 13.7 57 61 A L H 3<5S+ 0 0 60 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.958 115.2 46.4 -56.9 -47.7 26.6 62.7 13.8 58 62 A L T 3<5S- 0 0 35 -4,-3.4 -1,-0.3 -5,-0.2 -2,-0.2 0.394 130.9 -94.1 -77.0 1.4 27.1 64.7 17.0 59 63 A G T < 5S+ 0 0 41 -3,-1.3 -3,-0.3 1,-0.3 3,-0.3 0.530 83.4 112.4 104.9 3.5 29.8 66.8 15.5 60 64 A Y < + 0 0 74 -5,-3.5 -1,-0.3 1,-0.2 17,-0.2 -0.448 55.8 45.6-102.9 179.3 33.2 65.3 16.2 61 65 A G S S+ 0 0 8 1,-0.2 16,-1.8 -2,-0.1 2,-0.4 0.823 85.1 114.7 60.7 30.8 35.9 63.7 14.0 62 66 A L + 0 0 47 -3,-0.3 2,-0.3 13,-0.3 13,-0.2 -0.996 37.2 173.2-133.1 137.0 35.6 66.5 11.4 63 67 A T E -A 74 0A 54 11,-2.1 11,-3.4 -2,-0.4 2,-0.7 -0.992 31.4-122.3-145.3 147.4 38.4 68.9 10.5 64 68 A M E -A 73 0A 84 -2,-0.3 -2,-0.0 9,-0.2 59,-0.0 -0.844 28.5-169.9 -92.5 112.6 38.8 71.6 7.8 65 69 A V E -A 72 0A 7 7,-3.6 7,-2.9 -2,-0.7 2,-0.3 -0.914 17.4-131.5-108.4 127.0 41.9 71.0 5.7 66 70 A P E +A 71 0A 41 0, 0.0 2,-0.2 0, 0.0 5,-0.2 -0.594 50.6 116.3 -79.7 133.4 43.0 73.7 3.3 67 71 A F E > +A 70 0A 13 3,-2.1 3,-1.1 -2,-0.3 59,-0.1 -0.763 61.5 36.0 173.3 144.7 43.8 72.9 -0.4 68 72 A G T 3 S- 0 0 52 1,-0.3 3,-0.1 -2,-0.2 58,-0.0 0.626 127.1 -66.6 76.6 14.7 42.3 73.9 -3.7 69 73 A G T 3 S+ 0 0 80 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.347 117.3 101.0 85.8 -6.0 41.6 77.4 -2.6 70 74 A E E < S-A 67 0A 121 -3,-1.1 -3,-2.1 -5,-0.1 2,-0.9 -0.709 77.8-126.6-113.9 164.0 39.0 75.9 -0.2 71 75 A Q E -A 66 0A 122 -2,-0.2 -3,-0.0 -5,-0.2 -7,-0.0 -0.912 44.7-154.9-102.2 97.5 38.7 75.0 3.5 72 76 A N E -A 65 0A 30 -7,-2.9 -7,-3.6 -2,-0.9 2,-0.8 -0.642 12.1-127.3 -90.8 140.8 37.7 71.3 2.9 73 77 A P E -A 64 0A 27 0, 0.0 2,-0.5 0, 0.0 -9,-0.2 -0.720 28.0-177.2 -84.9 106.4 35.8 69.1 5.4 74 78 A I E -A 63 0A 0 -11,-3.4 -11,-2.1 -2,-0.8 2,-1.4 -0.925 20.3-146.8-109.2 119.3 37.6 65.9 6.2 75 79 A Y > + 0 0 9 -2,-0.5 3,-1.1 -13,-0.2 -13,-0.3 -0.688 25.0 171.0 -84.3 89.2 35.8 63.3 8.5 76 80 A W T >> + 0 0 115 -2,-1.4 3,-1.5 -15,-0.3 4,-1.0 0.655 65.8 78.6 -76.8 -14.6 38.9 61.9 10.2 77 81 A A H 3> S+ 0 0 4 -16,-1.8 4,-1.2 1,-0.3 -1,-0.3 0.784 82.6 72.0 -63.1 -22.4 36.8 59.9 12.7 78 82 A R H <> S+ 0 0 1 -3,-1.1 4,-2.1 -17,-0.4 -1,-0.3 0.844 98.0 44.6 -58.5 -36.7 36.4 57.6 9.7 79 83 A Y H <> S+ 0 0 8 -3,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.744 105.8 58.9 -80.4 -26.6 40.0 56.5 10.0 80 84 A A H < S+ 0 0 30 -4,-1.0 4,-0.3 2,-0.2 -1,-0.2 0.750 111.9 45.3 -71.4 -23.9 39.9 56.1 13.8 81 85 A D H >X S+ 0 0 1 -4,-1.2 4,-1.6 -5,-0.2 3,-1.4 0.951 115.4 42.0 -81.4 -61.8 37.1 53.6 13.0 82 86 A W H 3X S+ 0 0 18 -4,-2.1 4,-2.1 1,-0.3 -2,-0.2 0.775 99.7 72.9 -60.4 -29.7 38.7 51.7 10.1 83 87 A L H 3< S+ 0 0 75 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.1 0.877 113.7 25.8 -54.9 -33.4 42.1 51.5 11.8 84 88 A F H <> S+ 0 0 113 -3,-1.4 4,-0.7 -4,-0.3 -2,-0.2 0.687 122.8 50.5-102.6 -23.8 40.5 48.9 14.2 85 89 A T H X S+ 0 0 0 -4,-1.6 4,-1.4 2,-0.2 -3,-0.2 0.812 103.9 55.2 -87.5 -32.3 37.7 47.4 12.1 86 90 A T H X S+ 0 0 13 -4,-2.1 4,-2.0 2,-0.2 5,-0.1 0.912 109.7 46.3 -68.6 -41.6 39.6 46.5 9.0 87 91 A P H > S+ 0 0 23 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.848 109.4 54.9 -69.5 -30.0 42.2 44.4 10.8 88 92 A L H X S+ 0 0 35 -4,-0.7 4,-1.8 1,-0.2 -2,-0.2 0.863 109.2 48.8 -68.3 -33.2 39.5 42.6 12.8 89 93 A L H X S+ 0 0 4 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.890 111.2 48.8 -70.1 -41.4 37.9 41.7 9.5 90 94 A L H X S+ 0 0 2 -4,-2.0 4,-2.9 2,-0.2 3,-0.2 0.922 111.0 50.4 -62.3 -46.3 41.2 40.4 8.0 91 95 A L H X S+ 0 0 48 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.899 106.3 56.1 -58.4 -44.1 41.8 38.4 11.1 92 96 A D H X S+ 0 0 0 -4,-1.8 4,-0.9 1,-0.2 -1,-0.2 0.839 112.6 41.2 -57.8 -39.0 38.3 36.9 10.8 93 97 A L H X S+ 0 0 1 -4,-1.6 4,-1.3 -3,-0.2 -2,-0.2 0.851 114.2 53.8 -75.7 -37.8 39.1 35.7 7.2 94 98 A A H <>S+ 0 0 2 -4,-2.9 5,-2.8 1,-0.2 4,-0.3 0.811 105.7 50.8 -67.2 -34.2 42.6 34.6 8.4 95 99 A L H ><5S+ 0 0 60 -4,-2.5 3,-0.7 3,-0.2 -1,-0.2 0.855 105.5 60.5 -72.8 -32.0 41.3 32.4 11.2 96 100 A L H 3<5S+ 0 0 7 -4,-0.9 -2,-0.2 -5,-0.3 -1,-0.2 0.871 112.7 32.6 -61.3 -43.5 38.9 30.8 8.7 97 101 A V T 3<5S- 0 0 0 -4,-1.3 -1,-0.2 70,-0.1 -2,-0.2 0.301 113.2-112.5 -98.0 8.4 41.5 29.4 6.3 98 102 A D T < 5 - 0 0 98 -3,-0.7 -3,-0.2 -4,-0.3 -4,-0.1 0.922 44.9-166.9 60.1 47.9 44.1 28.8 9.1 99 103 A A < - 0 0 13 -5,-2.8 2,-0.1 -6,-0.1 -1,-0.1 -0.224 22.5-105.1 -60.2 154.2 46.5 31.5 7.8 100 104 A D > - 0 0 90 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.409 25.5-107.2 -82.8 162.3 49.9 31.4 9.4 101 105 A Q H > S+ 0 0 172 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.812 118.5 52.2 -57.2 -36.6 51.2 33.9 12.0 102 106 A G H > S+ 0 0 53 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.906 108.5 50.6 -67.9 -41.6 53.5 35.6 9.5 103 107 A T H > S+ 0 0 46 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.950 113.2 45.5 -59.4 -52.1 50.7 36.2 7.0 104 108 A I H X S+ 0 0 38 -4,-2.3 4,-3.2 2,-0.2 5,-0.3 0.951 112.4 49.2 -57.6 -54.2 48.4 37.7 9.6 105 109 A L H X S+ 0 0 119 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.913 116.6 44.2 -54.0 -43.8 51.1 39.9 11.1 106 110 A A H X S+ 0 0 40 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.882 113.0 49.9 -71.2 -36.5 51.9 41.1 7.6 107 111 A L H X S+ 0 0 1 -4,-3.1 4,-1.4 2,-0.2 -2,-0.2 0.929 116.0 43.2 -65.1 -44.0 48.2 41.5 6.5 108 112 A V H X S+ 0 0 52 -4,-3.2 4,-1.1 2,-0.2 -2,-0.2 0.846 115.4 48.6 -68.0 -39.7 47.5 43.5 9.7 109 113 A G H >X S+ 0 0 34 -4,-2.3 4,-2.0 -5,-0.3 3,-1.4 0.974 111.1 48.9 -65.0 -53.7 50.7 45.5 9.3 110 114 A A H 3X S+ 0 0 13 -4,-2.8 4,-1.6 1,-0.3 -2,-0.2 0.794 110.6 54.1 -51.6 -34.3 50.0 46.3 5.6 111 115 A D H 3X S+ 0 0 2 -4,-1.4 4,-1.4 2,-0.2 -1,-0.3 0.751 103.6 54.4 -72.0 -30.5 46.6 47.3 6.8 112 116 A G H > S- 0 0 75 1,-0.2 4,-1.2 -59,-0.1 3,-0.9 -0.722 78.9-143.0 -79.1 112.7 49.7 70.4 -0.9 127 131 A Y H 3> S+ 0 0 78 -2,-0.9 4,-0.8 1,-0.2 3,-0.4 0.833 93.7 48.4 -43.2 -50.7 46.9 69.2 -3.1 128 132 A S H 3> S+ 0 0 76 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.742 105.3 57.0 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0.870 113.8 25.2 -54.0 -32.2 19.6 52.1 22.7 312 88 B F H <> S+ 0 0 36 -3,-1.5 4,-0.7 -4,-0.3 -2,-0.2 0.662 122.8 50.8-104.6 -23.2 18.1 54.7 20.3 313 89 B T H X S+ 0 0 0 -4,-1.6 4,-1.4 2,-0.2 -3,-0.2 0.808 104.0 55.4 -87.8 -32.6 15.3 56.2 22.4 314 90 B T H X S+ 0 0 13 -4,-2.0 4,-1.9 1,-0.2 5,-0.1 0.912 109.5 46.1 -68.2 -41.9 17.2 57.1 25.6 315 91 B P H > S+ 0 0 22 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.835 109.5 55.0 -69.4 -29.6 19.8 59.2 23.7 316 92 B L H X S+ 0 0 33 -4,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.849 109.3 49.0 -68.8 -32.0 17.1 61.0 21.7 317 93 B L H X S+ 0 0 4 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.891 111.0 48.5 -72.0 -41.0 15.5 61.9 25.1 318 94 B L H X S+ 0 0 2 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.920 111.3 50.7 -62.3 -45.8 18.8 63.1 26.5 319 95 B L H X S+ 0 0 36 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.918 106.0 56.1 -58.3 -45.8 19.4 65.2 23.4 320 96 B D H X S+ 0 0 0 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.852 112.4 41.4 -54.9 -40.9 15.8 66.6 23.7 321 97 B L H X S+ 0 0 1 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.851 114.2 53.9 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48.2 31.9 433 209 B M H X S+ 0 0 16 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.887 109.3 55.7 -72.2 -34.4 5.4 49.4 29.5 434 210 B V H X S+ 0 0 67 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.2 0.858 115.7 38.5 -62.5 -34.8 4.1 51.8 32.2 435 211 B L H X S+ 0 0 21 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.899 115.9 51.0 -80.3 -45.0 7.6 53.4 32.5 436 212 B D H X S+ 0 0 0 -4,-2.7 4,-0.8 1,-0.2 5,-0.3 0.926 115.4 43.3 -57.7 -46.8 8.3 53.2 28.7 437 213 B V H X>S+ 0 0 23 -4,-2.9 5,-2.1 2,-0.2 4,-0.9 0.849 115.6 46.4 -68.1 -40.0 5.0 54.9 27.9 438 214 B S H <>S+ 0 0 51 -4,-1.2 5,-0.6 -5,-0.3 -2,-0.2 0.913 116.4 46.7 -67.6 -44.7 5.2 57.6 30.7 439 215 B A H <5S+ 0 0 4 -4,-2.7 -2,-0.2 3,-0.2 -1,-0.2 0.603 126.3 26.9 -74.4 -16.6 8.8 58.4 29.8 440 216 B K H X5S+ 0 0 4 -4,-0.8 4,-3.3 -5,-0.2 -3,-0.2 0.770 135.0 23.3-108.8 -67.7 8.2 58.5 26.0 441 217 B V H X5S+ 0 0 19 -4,-0.9 4,-2.3 -5,-0.3 -3,-0.2 0.870 128.5 50.7 -69.4 -35.6 4.7 59.6 25.2 442 218 B G H >< S+ 0 0 0 -4,-2.1 3,-0.9 1,-0.2 6,-0.2 0.922 115.4 43.8 -75.0 -45.8 7.6 68.8 25.8 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