==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 13-JAN-11 3QBG . COMPND 2 MOLECULE: HALORHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NATRONOMONAS PHARAONIS; . AUTHOR T.KOUYAMA,S.KANADA . 781 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29608.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 648 83.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 3.2 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 . 3 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 . 24 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 479 61.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 3.3 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 2 0 0 3 3 0 3 0 0 0 3 0 0 0 0 3 0 0 6 6 3 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 4 0 3 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 . 4 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 18 A E 0 0 144 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -29.3 23.8 -28.7 23.7 2 19 A V - 0 0 48 74,-0.1 2,-0.2 1,-0.0 74,-0.1 -0.517 360.0-150.8 -71.3 123.9 25.4 -26.5 26.4 3 20 A T > - 0 0 65 -2,-0.4 4,-1.7 1,-0.1 5,-0.2 -0.544 24.7-116.8 -95.5 161.7 22.8 -24.8 28.5 4 21 A Q H > S+ 0 0 33 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.858 116.9 55.5 -60.4 -37.6 22.9 -21.4 30.3 5 22 A R H > S+ 0 0 150 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.900 103.6 53.0 -64.3 -42.1 22.5 -23.3 33.6 6 23 A E H > S+ 0 0 50 1,-0.2 4,-1.9 2,-0.2 87,-0.3 0.896 112.6 45.0 -61.6 -38.5 25.6 -25.6 32.9 7 24 A L H X S+ 0 0 9 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.878 110.8 53.1 -72.1 -38.5 27.7 -22.4 32.3 8 25 A F H X S+ 0 0 30 -4,-2.4 4,-2.1 62,-0.3 -2,-0.2 0.906 113.3 44.7 -61.3 -41.7 26.3 -20.7 35.4 9 26 A E H < S+ 0 0 74 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.833 108.6 56.1 -73.2 -32.8 27.3 -23.8 37.3 10 27 A F H < S+ 0 0 52 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.933 107.9 48.9 -63.8 -44.8 30.7 -24.0 35.7 11 28 A V H >< S+ 0 0 0 -4,-2.4 3,-1.5 2,-0.1 7,-0.7 0.957 109.4 57.8 -58.6 -52.6 31.4 -20.5 36.8 12 29 A L T 3< S+ 0 0 62 -4,-2.1 5,-0.0 1,-0.3 0, 0.0 -0.409 106.8 38.3 -67.5 160.3 30.3 -21.4 40.3 13 30 A N T 3 S+ 0 0 146 1,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.394 98.5 91.1 76.3 -9.7 32.5 -24.3 41.4 14 31 A D <> - 0 0 44 -3,-1.5 4,-3.4 1,-0.2 5,-0.3 -0.865 64.4-163.8-119.8 92.6 35.4 -22.6 39.7 15 32 A P H > S+ 0 0 107 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.849 85.4 45.4 -40.4 -53.7 37.0 -20.4 42.4 16 33 A L H > S+ 0 0 53 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.967 118.3 41.1 -59.7 -56.5 39.0 -18.2 40.1 17 34 A L H > S+ 0 0 0 2,-0.2 4,-1.4 1,-0.2 5,-0.2 0.926 116.2 49.3 -58.8 -49.7 36.3 -17.6 37.6 18 35 A A H X S+ 0 0 17 -4,-3.4 4,-2.9 -7,-0.7 3,-0.5 0.943 113.5 45.7 -57.3 -51.4 33.5 -17.1 40.2 19 36 A S H X S+ 0 0 41 -4,-2.4 4,-2.3 -5,-0.3 5,-0.3 0.905 108.0 55.6 -61.1 -43.6 35.5 -14.6 42.2 20 37 A S H < S+ 0 0 0 -4,-2.4 4,-0.4 -5,-0.2 -1,-0.2 0.803 117.7 37.3 -60.9 -28.2 36.7 -12.6 39.2 21 38 A L H X S+ 0 0 0 -4,-1.4 4,-1.4 -3,-0.5 3,-0.4 0.926 118.9 42.5 -88.2 -55.4 33.0 -12.1 38.3 22 39 A Y H X S+ 0 0 72 -4,-2.9 4,-2.1 1,-0.2 -3,-0.2 0.800 107.5 61.2 -66.3 -29.3 31.2 -11.7 41.6 23 40 A I H X S+ 0 0 73 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.885 106.7 46.7 -65.5 -35.3 33.8 -9.4 43.1 24 41 A N H > S+ 0 0 0 -3,-0.4 4,-2.6 -4,-0.4 5,-0.2 0.824 106.9 55.5 -76.8 -29.2 33.2 -6.9 40.3 25 42 A I H X S+ 0 0 18 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.949 114.1 43.6 -63.6 -43.3 29.4 -7.1 40.7 26 43 A A H X S+ 0 0 51 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.917 115.6 45.7 -66.2 -46.9 30.0 -6.2 44.3 27 44 A L H X S+ 0 0 60 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.856 112.0 52.4 -67.3 -34.5 32.5 -3.5 43.7 28 45 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.933 110.3 48.3 -66.2 -44.2 30.4 -2.0 40.9 29 46 A G H X S+ 0 0 19 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.925 112.8 46.7 -61.7 -45.8 27.4 -1.8 43.2 30 47 A L H X S+ 0 0 113 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.876 109.9 55.3 -63.7 -37.7 29.4 -0.2 46.1 31 48 A S H X S+ 0 0 13 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.905 105.2 52.0 -62.4 -43.5 30.9 2.2 43.6 32 49 A I H X S+ 0 0 37 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.954 112.2 45.7 -57.9 -51.0 27.4 3.4 42.4 33 50 A L H X S+ 0 0 123 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.941 115.8 46.3 -57.4 -49.6 26.3 4.0 46.0 34 51 A L H X S+ 0 0 74 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.917 114.2 47.3 -60.2 -45.4 29.6 5.8 46.8 35 52 A F H X S+ 0 0 2 -4,-3.2 4,-2.0 2,-0.2 -1,-0.2 0.873 110.1 51.3 -66.9 -39.2 29.5 7.9 43.7 36 53 A V H < S+ 0 0 75 -4,-2.7 4,-0.3 -5,-0.2 -1,-0.2 0.929 112.4 48.2 -63.7 -42.5 25.9 9.0 44.0 37 54 A F H >< S+ 0 0 156 -4,-2.1 3,-1.1 -5,-0.3 -2,-0.2 0.924 110.8 50.6 -62.1 -46.3 26.6 10.1 47.6 38 55 A M H 3< S+ 0 0 34 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.849 112.7 45.2 -60.2 -39.2 29.8 12.0 46.6 39 56 A T T >< S+ 0 0 18 -4,-2.0 3,-1.7 1,-0.2 -1,-0.2 0.319 78.8 107.9 -91.0 7.7 28.0 14.0 43.8 40 57 A R T < S+ 0 0 207 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.1 0.767 76.7 53.6 -57.2 -29.6 24.9 14.8 45.8 41 58 A G T 3 S+ 0 0 53 -3,-0.5 -1,-0.3 -4,-0.2 2,-0.1 0.523 79.9 117.0 -86.6 -5.1 25.9 18.5 46.2 42 59 A L < + 0 0 6 -3,-1.7 209,-0.1 1,-0.1 -3,-0.0 -0.389 26.3 161.4 -65.9 136.7 26.4 19.2 42.4 43 60 A D + 0 0 130 -2,-0.1 -1,-0.1 0, 0.0 -3,-0.0 0.644 41.2 96.7-125.0 -34.0 24.1 21.7 40.9 44 61 A D > - 0 0 33 1,-0.1 4,-2.7 2,-0.0 5,-0.2 -0.421 68.5-136.9 -65.6 132.0 25.7 22.9 37.6 45 62 A P H > S+ 0 0 43 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.853 103.3 48.0 -57.8 -39.1 24.2 21.1 34.5 46 63 A R H > S+ 0 0 32 212,-0.4 4,-1.8 2,-0.2 5,-0.2 0.913 113.1 48.3 -70.3 -40.9 27.6 20.6 32.9 47 64 A A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.916 111.1 51.1 -63.5 -41.4 29.2 19.3 36.1 48 65 A K H X S+ 0 0 74 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.782 105.2 56.4 -67.6 -25.8 26.2 17.0 36.5 49 66 A L H X S+ 0 0 17 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.917 108.0 47.5 -70.4 -43.0 26.7 15.6 33.0 50 67 A I H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.913 113.2 50.5 -62.3 -40.9 30.2 14.7 33.8 51 68 A A H X S+ 0 0 5 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.943 111.6 44.9 -63.2 -50.9 28.9 13.1 37.0 52 69 A V H X S+ 0 0 22 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.894 111.3 53.1 -62.8 -41.4 26.2 11.0 35.3 53 70 A S H X S+ 0 0 0 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.930 112.9 45.1 -59.0 -44.0 28.5 9.8 32.5 54 71 A T H >< S+ 0 0 1 -4,-1.9 3,-1.2 -5,-0.2 -2,-0.2 0.913 111.7 51.5 -66.1 -43.4 31.0 8.7 35.1 55 72 A I H 3X S+ 0 0 16 -4,-2.6 4,-1.1 1,-0.3 -1,-0.2 0.821 99.4 65.3 -64.7 -30.5 28.4 7.0 37.3 56 73 A L H 3X S+ 0 0 8 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.748 88.2 72.4 -64.8 -20.7 27.0 5.1 34.2 57 74 A V H S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.750 114.3 59.4 -70.7 -19.3 29.7 1.1 37.2 59 76 A V H X S+ 0 0 13 -4,-1.1 4,-1.9 2,-0.2 5,-0.2 0.955 109.6 42.0 -68.9 -49.3 26.0 0.8 36.2 60 77 A V H X S+ 0 0 24 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.921 115.2 53.4 -59.8 -43.7 27.0 -0.7 32.9 61 78 A S H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.3 5,-0.3 0.914 107.2 47.8 -60.4 -47.0 29.6 -2.8 34.7 62 79 A I H X S+ 0 0 22 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.922 116.2 44.6 -64.4 -40.6 27.2 -4.3 37.3 63 80 A A H X S+ 0 0 17 -4,-1.9 4,-1.5 -5,-0.2 -2,-0.2 0.939 116.0 46.3 -67.8 -45.7 24.7 -5.2 34.7 64 81 A S H X S+ 0 0 14 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.881 110.8 50.8 -66.5 -39.6 27.2 -6.7 32.2 65 82 A Y H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.836 107.6 54.8 -66.7 -29.9 29.1 -8.7 34.9 66 83 A T H X S+ 0 0 0 -4,-1.3 4,-2.4 -5,-0.3 6,-0.3 0.873 102.5 58.2 -68.3 -33.1 25.7 -10.1 35.9 67 84 A G H <>S+ 0 0 3 -4,-1.5 6,-2.0 2,-0.2 5,-0.8 0.915 112.0 39.8 -59.9 -42.0 25.4 -11.1 32.2 68 85 A L H ><5S+ 0 0 0 -4,-1.6 3,-1.3 4,-0.2 -2,-0.2 0.953 114.8 50.4 -71.5 -52.1 28.6 -13.1 32.6 69 86 A A H 3<5S+ 0 0 0 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.831 109.5 52.2 -56.8 -35.2 27.9 -14.6 36.0 70 87 A S T 3<5S- 0 0 0 -4,-2.4 -62,-0.3 -5,-0.2 -1,-0.3 0.662 112.3-120.2 -76.2 -17.0 24.4 -15.7 35.0 71 88 A G T X 5S+ 0 0 2 -3,-1.3 3,-1.2 -4,-0.5 -3,-0.2 0.367 81.9 119.4 92.1 -4.8 25.8 -17.5 31.9 72 89 A L T 3 - 0 0 12 0, 0.0 3,-2.1 0, 0.0 6,-0.2 -0.188 51.4 -68.6 -70.6 164.6 40.3 -22.9 14.6 81 98 A A T 3 S+ 0 0 86 1,-0.3 75,-0.4 73,-0.2 3,-0.1 -0.233 121.8 20.5 -54.3 135.1 43.2 -25.1 13.5 82 99 A G T 3 S+ 0 0 38 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.189 87.2 131.7 90.7 -19.1 46.5 -23.7 14.7 83 100 A H X - 0 0 0 -3,-2.1 3,-2.7 1,-0.1 -1,-0.3 -0.508 66.8-124.8 -68.4 135.1 45.0 -21.7 17.5 84 101 A F T 3 S+ 0 0 142 134,-0.3 -1,-0.1 1,-0.3 135,-0.1 0.632 111.7 48.4 -56.9 -15.4 47.0 -22.3 20.7 85 102 A A T > S+ 0 0 6 133,-0.2 3,-1.1 131,-0.2 -6,-0.3 0.240 82.5 132.7-108.0 10.5 43.7 -23.3 22.5 86 103 A E T < + 0 0 96 -3,-2.7 -5,-0.1 1,-0.2 -8,-0.0 -0.273 68.9 22.1 -59.9 146.6 42.6 -25.6 19.7 87 104 A G T 3 S+ 0 0 78 -8,-0.4 -1,-0.2 1,-0.2 2,-0.1 0.739 87.6 152.0 67.7 23.6 41.4 -29.0 20.9 88 105 A S < - 0 0 43 -3,-1.1 11,-2.5 -9,-0.0 2,-0.3 -0.450 31.6-148.5 -83.5 160.5 40.6 -27.9 24.4 89 106 A S B -B 98 0B 56 9,-0.2 9,-0.2 -2,-0.1 7,-0.1 -0.914 12.5-172.5-126.5 155.0 37.9 -29.5 26.6 90 107 A V - 0 0 19 7,-2.0 8,-0.1 -2,-0.3 6,-0.1 0.655 26.3-134.3-123.9 -22.9 35.7 -27.9 29.3 91 108 A M + 0 0 106 6,-0.3 2,-0.4 1,-0.2 5,-0.2 0.964 33.3 179.2 62.2 88.2 33.6 -30.5 31.2 92 109 A L B > -C 95 0C 5 3,-1.9 2,-2.8 -82,-0.0 3,-1.7 -0.976 56.5 -14.9-127.1 137.3 30.1 -29.1 31.4 93 110 A G T 3 S- 0 0 59 -2,-0.4 3,-0.1 -87,-0.3 -91,-0.0 -0.367 130.4 -43.6 74.7 -64.8 27.0 -30.6 33.0 94 111 A G T 3 S+ 0 0 53 -2,-2.8 -1,-0.3 1,-0.3 2,-0.2 0.289 121.2 72.3-172.4 -13.5 28.5 -34.0 33.2 95 112 A E B < S-C 92 0C 137 -3,-1.7 -3,-1.9 -5,-0.0 2,-0.6 -0.648 83.6 -98.6-113.0 170.7 30.3 -34.7 29.9 96 113 A E - 0 0 119 -5,-0.2 2,-0.4 -2,-0.2 -7,-0.0 -0.798 39.5-162.8 -91.4 122.6 33.5 -33.4 28.2 97 114 A V - 0 0 40 -2,-0.6 -7,-2.0 2,-0.1 -6,-0.3 -0.896 17.6-122.4-110.5 136.5 32.7 -30.6 25.7 98 115 A D B S+B 89 0B 91 -2,-0.4 -9,-0.2 -9,-0.2 2,-0.2 -0.517 71.0 41.6 -74.2 140.5 35.0 -29.5 23.0 99 116 A G S S- 0 0 4 -11,-2.5 2,-0.4 -2,-0.2 -21,-0.3 -0.718 83.3 -70.8 123.9-174.3 35.9 -25.8 23.0 100 117 A V E -A 77 0A 7 -23,-2.6 -23,-1.9 -2,-0.2 2,-0.6 -0.981 41.6-111.3-127.5 135.3 36.8 -23.0 25.3 101 118 A V E -A 76 0A 4 -2,-0.4 2,-0.7 -25,-0.2 -25,-0.2 -0.563 41.9-160.7 -66.5 112.9 34.5 -21.2 27.8 102 119 A T E -A 75 0A 11 -27,-3.7 -27,-2.2 -2,-0.6 2,-1.8 -0.877 16.2-160.6-107.6 109.9 34.3 -17.8 26.0 103 120 A M > + 0 0 16 -2,-0.7 3,-1.6 -29,-0.2 4,-0.2 -0.488 26.7 159.0 -88.0 70.0 33.1 -14.8 28.1 104 121 A W T >> + 0 0 58 -2,-1.8 3,-1.5 1,-0.3 4,-0.5 0.658 57.8 83.2 -67.1 -15.1 32.1 -12.6 25.2 105 122 A G H >> S+ 0 0 0 -32,-2.0 4,-1.7 1,-0.3 3,-0.9 0.746 74.9 73.5 -61.2 -21.6 29.9 -10.6 27.5 106 123 A R H <> S+ 0 0 5 -3,-1.6 4,-2.2 1,-0.3 -1,-0.3 0.863 89.0 59.2 -60.9 -33.7 33.0 -8.6 28.5 107 124 A Y H <> S+ 0 0 6 -3,-1.5 4,-2.6 1,-0.2 -1,-0.3 0.781 102.8 51.9 -66.7 -26.3 32.9 -6.9 25.1 108 125 A L H X S+ 0 0 0 -4,-1.8 4,-1.9 -5,-0.3 3,-0.6 0.855 103.4 61.3 -90.5 -40.9 31.3 1.7 29.4 114 131 A T H 3X S+ 0 0 11 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.847 100.8 55.9 -58.7 -33.7 34.3 3.0 27.4 115 132 A P H 3> S+ 0 0 9 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.877 108.6 48.8 -65.9 -33.4 32.1 5.7 25.6 116 133 A M H <> S+ 0 0 28 -3,-0.6 4,-2.2 -4,-0.4 -2,-0.2 0.848 110.1 50.1 -73.1 -34.8 31.1 7.0 29.1 117 134 A I H X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.946 114.6 45.2 -66.1 -47.3 34.7 7.1 30.3 118 135 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.876 110.8 52.7 -63.6 -39.5 35.6 9.0 27.1 119 136 A L H X S+ 0 0 23 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.940 111.7 46.7 -62.5 -45.6 32.5 11.3 27.4 120 137 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.929 115.8 44.6 -61.8 -46.7 33.5 12.2 31.0 121 138 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.887 112.1 51.3 -65.8 -42.2 37.2 12.8 30.1 122 139 A G H <>S+ 0 0 0 -4,-2.9 5,-2.9 2,-0.2 4,-0.4 0.929 112.4 46.6 -61.2 -46.0 36.4 14.8 27.0 123 140 A L H ><5S+ 0 0 20 -4,-2.3 3,-1.2 -5,-0.2 -2,-0.2 0.909 110.4 52.9 -62.2 -43.3 34.1 17.1 28.9 124 141 A L H 3<5S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.925 110.7 48.3 -57.9 -42.9 36.7 17.4 31.7 125 142 A A T 3<5S- 0 0 0 -4,-2.5 63,-0.3 -5,-0.1 -1,-0.3 0.497 115.9-115.8 -75.9 -5.1 39.2 18.5 29.0 126 143 A G T 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S T <4 S+ 0 0 90 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.428 122.4 37.9-111.3 -4.0 35.8 19.9 44.8 253 270 A N XX + 0 0 58 -3,-1.1 4,-1.1 -4,-0.8 3,-0.6 -0.146 64.5 139.2-140.2 40.3 36.0 21.9 41.6 254 271 A E H 3> S+ 0 0 51 1,-0.2 4,-1.2 2,-0.2 3,-0.4 0.896 74.2 56.9 -53.3 -43.9 32.4 22.3 40.3 255 272 A G H 3> S+ 0 0 55 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.851 99.5 58.8 -57.8 -38.0 33.1 25.9 39.4 256 273 A V H <4 S+ 0 0 66 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.881 117.8 30.0 -60.5 -41.4 36.0 25.0 37.1 257 274 A V H < S+ 0 0 3 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.472 93.9 101.6 -97.3 -3.7 34.0 22.7 34.9 258 275 A S H < + 0 0 38 -4,-1.2 -212,-0.4 -5,-0.2 -211,-0.2 0.920 45.2 116.0 -45.5 -62.3 30.7 24.6 35.4 259 276 A G S < S- 0 0 50 -4,-0.6 2,-0.3 -3,-0.1 -213,-0.1 0.122 78.3 -66.6 29.0-124.1 30.7 26.5 32.1 260 277 A S 0 0 97 -3,-0.1 -1,-0.1 -215,-0.1 -216,-0.0 -0.969 360.0 360.0-159.6 142.5 27.8 25.4 29.9 261 278 A I 0 0 98 -2,-0.3 -215,-0.1 -3,-0.0 -214,-0.0 -0.107 360.0 360.0 -57.0 360.0 26.6 22.2 28.1 262 !* 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 0.0 263 18 B E 0 0 140 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -28.0 24.8 -27.8 12.1 264 19 B V - 0 0 51 74,-0.1 2,-0.1 1,-0.1 74,-0.1 -0.451 360.0-147.2 -63.9 120.5 26.4 -25.5 9.6 265 20 B T > - 0 0 61 -2,-0.3 4,-1.6 1,-0.1 5,-0.2 -0.402 21.6-113.9 -89.2 167.0 29.6 -24.1 11.1 266 21 B Q H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.877 117.2 54.3 -64.3 -39.5 31.3 -20.7 10.7 267 22 B R H > S+ 0 0 135 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.888 105.2 53.8 -62.8 -39.7 34.3 -22.4 9.0 268 23 B E H > S+ 0 0 47 2,-0.2 4,-2.0 1,-0.2 87,-0.4 0.883 112.0 43.3 -64.2 -38.4 32.0 -24.1 6.5 269 24 B L H X S+ 0 0 4 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.869 112.7 54.0 -73.4 -36.0 30.4 -20.7 5.5 270 25 B F H X S+ 0 0 26 -4,-2.4 4,-2.2 62,-0.3 -2,-0.2 0.929 112.4 43.6 -60.4 -45.6 33.9 -19.2 5.5 271 26 B E H < S+ 0 0 76 -4,-3.0 -2,-0.2 2,-0.2 -1,-0.2 0.854 107.8 59.4 -69.2 -34.7 35.0 -21.9 3.1 272 27 B F H < S+ 0 0 40 -4,-2.0 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0.859 110.4 57.1 -65.5 -34.5 42.7 1.7 0.9 293 48 B S H X S+ 0 0 15 -4,-2.5 4,-3.3 -5,-0.2 5,-0.3 0.919 103.5 52.6 -62.4 -44.4 39.9 4.2 1.0 294 49 B I H X S+ 0 0 38 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.941 112.2 44.6 -56.9 -49.7 40.5 4.8 4.8 295 50 B L H X S+ 0 0 125 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.914 115.5 48.7 -61.4 -43.5 44.2 5.5 4.2 296 51 B L H X S+ 0 0 77 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.926 113.7 45.1 -63.0 -46.6 43.4 7.7 1.2 297 52 B F H X S+ 0 0 1 -4,-3.3 4,-2.2 2,-0.2 -2,-0.2 0.904 111.7 51.2 -66.4 -41.7 40.7 9.7 3.0 298 53 B V H < S+ 0 0 78 -4,-2.6 4,-0.4 -5,-0.3 -1,-0.2 0.925 113.4 47.2 -60.6 -42.2 42.8 10.2 6.1 299 54 B F H >< S+ 0 0 124 -4,-2.1 3,-1.3 -5,-0.2 -2,-0.2 0.952 111.1 50.6 -62.6 -51.0 45.7 11.4 3.8 300 55 B M H 3< S+ 0 0 32 -4,-2.9 3,-0.4 1,-0.2 -1,-0.2 0.829 113.9 44.3 -56.1 -38.0 43.4 13.8 1.8 301 56 B T T >< S+ 0 0 19 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 0.356 77.9 106.2 -93.4 5.9 41.9 15.4 5.0 302 57 B R T < S+ 0 0 175 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.1 0.680 78.4 55.9 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