==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 24-DEC-09 3ABW . COMPND 2 MOLECULE: HALORHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NATRONOMONAS PHARAONIS; . AUTHOR T.KOUYAMA,S.KANADA . 778 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29005.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 649 83.4 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 . 22 2.8 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 . 23 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 479 61.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 3.6 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 1 2 0 0 4 2 0 1 0 2 0 3 0 0 0 0 1 2 0 6 5 4 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 . 5 0 3 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 . 3 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 0 210 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-171.5 23.8 -28.5 23.6 2 19 A V - 0 0 54 74,-0.1 2,-0.2 4,-0.0 74,-0.1 -0.540 360.0-150.8 -69.0 114.4 25.6 -26.3 26.1 3 20 A T > - 0 0 39 -2,-0.6 4,-1.7 1,-0.1 5,-0.2 -0.496 22.0-122.6 -88.9 156.7 23.0 -24.8 28.4 4 21 A Q H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.873 115.2 54.0 -61.5 -39.0 23.1 -21.5 30.2 5 22 A R H > S+ 0 0 113 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.894 104.2 54.9 -64.6 -38.5 22.7 -23.4 33.5 6 23 A E H > S+ 0 0 42 1,-0.2 4,-1.9 2,-0.2 87,-0.4 0.913 110.3 45.1 -61.8 -41.7 25.7 -25.6 32.7 7 24 A L H X S+ 0 0 7 -4,-1.7 4,-3.1 2,-0.2 -1,-0.2 0.907 111.1 53.8 -67.7 -41.6 27.9 -22.5 32.2 8 25 A F H X S+ 0 0 32 -4,-2.4 4,-2.3 62,-0.3 -2,-0.2 0.924 113.1 42.9 -57.6 -45.4 26.5 -20.9 35.4 9 26 A E H < S+ 0 0 110 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.824 110.4 57.3 -71.7 -29.5 27.4 -24.0 37.3 10 27 A F H < S+ 0 0 41 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.959 107.2 47.5 -63.8 -49.5 30.7 -24.1 35.5 11 28 A V H >< S+ 0 0 1 -4,-3.1 3,-1.3 58,-0.1 7,-0.7 0.961 110.7 59.0 -54.3 -54.4 31.5 -20.6 36.7 12 29 A L T 3< S+ 0 0 61 -4,-2.3 5,-0.0 1,-0.3 0, 0.0 -0.321 102.7 39.8 -66.8 162.7 30.5 -21.7 40.2 13 30 A N T 3 S+ 0 0 149 1,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.512 99.8 89.3 72.5 -1.0 32.6 -24.6 41.4 14 31 A D <> - 0 0 44 -3,-1.3 4,-3.1 1,-0.1 5,-0.3 -0.765 64.0-167.9-128.8 82.1 35.5 -22.8 39.8 15 32 A P H > S+ 0 0 107 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.810 82.8 47.5 -36.4 -53.1 36.8 -20.5 42.6 16 33 A L H > S+ 0 0 57 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.973 117.3 39.9 -58.8 -58.9 39.1 -18.4 40.3 17 34 A L H > S+ 0 0 0 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.912 116.3 50.9 -58.8 -47.1 36.5 -17.7 37.6 18 35 A A H >X S+ 0 0 16 -4,-3.1 4,-2.9 -7,-0.7 3,-0.6 0.928 110.4 48.4 -58.3 -49.0 33.6 -17.3 40.0 19 36 A S H 3X S+ 0 0 42 -4,-2.4 4,-2.3 -5,-0.3 5,-0.4 0.905 105.4 58.0 -60.9 -41.4 35.5 -14.8 42.2 20 37 A S H 3< S+ 0 0 0 -4,-2.1 4,-0.4 -5,-0.2 -1,-0.2 0.794 117.2 35.0 -58.9 -29.3 36.6 -12.7 39.2 21 38 A L H S+ 0 0 0 -4,-0.4 4,-2.6 -5,-0.4 5,-0.3 0.781 103.2 60.2 -75.6 -24.9 33.0 -7.1 40.4 25 42 A I H X S+ 0 0 20 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.951 113.6 42.1 -62.4 -41.6 29.2 -7.3 40.6 26 43 A A H X S+ 0 0 53 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.947 115.4 46.7 -67.9 -51.2 29.7 -6.2 44.2 27 44 A L H X S+ 0 0 60 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.884 112.4 50.2 -61.2 -39.5 32.4 -3.6 43.6 28 45 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.921 112.0 49.3 -65.1 -41.6 30.4 -2.0 40.7 29 46 A G H X S+ 0 0 17 -4,-1.8 4,-2.0 -5,-0.3 -2,-0.2 0.949 112.8 45.2 -61.2 -50.0 27.3 -1.9 42.9 30 47 A L H X S+ 0 0 110 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.873 111.1 55.7 -62.3 -36.7 29.2 -0.3 45.8 31 48 A S H X S+ 0 0 15 -4,-2.4 4,-2.9 -5,-0.2 5,-0.3 0.941 105.5 50.6 -61.3 -47.4 30.8 2.1 43.3 32 49 A I H X S+ 0 0 32 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.940 112.2 47.1 -55.6 -49.6 27.5 3.3 42.0 33 50 A L H X S+ 0 0 120 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.922 114.0 47.6 -58.5 -47.1 26.2 4.0 45.6 34 51 A L H X S+ 0 0 69 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.890 112.9 47.9 -62.1 -42.2 29.4 5.8 46.5 35 52 A F H X S+ 0 0 2 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.852 109.7 51.9 -70.2 -35.1 29.4 8.0 43.4 36 53 A V H < S+ 0 0 72 -4,-2.3 4,-0.2 -5,-0.3 -2,-0.2 0.942 113.2 45.5 -65.5 -45.6 25.7 8.9 43.7 37 54 A F H >< S+ 0 0 143 -4,-2.2 3,-1.2 -5,-0.2 4,-0.2 0.918 111.7 52.9 -61.9 -44.8 26.4 10.0 47.3 38 55 A M H 3< S+ 0 0 34 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.827 109.7 47.0 -59.9 -37.9 29.6 11.9 46.3 39 56 A T T >< S+ 0 0 20 -4,-1.8 3,-1.4 1,-0.2 -1,-0.2 0.267 76.6 109.9 -92.6 11.5 27.9 13.9 43.6 40 57 A R T < S+ 0 0 194 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.1 0.819 75.6 54.1 -54.5 -36.7 24.8 15.0 45.6 41 58 A G T 3 S+ 0 0 52 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.1 0.573 79.4 116.1 -79.1 -10.1 26.0 18.6 45.8 42 59 A L < + 0 0 7 -3,-1.4 209,-0.1 1,-0.1 -3,-0.0 -0.321 25.8 160.8 -63.3 139.3 26.4 19.2 42.1 43 60 A D + 0 0 130 -2,-0.0 -1,-0.1 0, 0.0 -3,-0.0 0.581 42.2 96.1-129.3 -29.7 24.1 21.9 40.5 44 61 A D > - 0 0 33 1,-0.1 4,-2.9 2,-0.0 5,-0.2 -0.503 68.7-137.6 -70.8 130.6 25.7 22.9 37.2 45 62 A P H > S+ 0 0 53 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.844 103.5 48.2 -57.1 -36.2 24.3 21.0 34.2 46 63 A R H > S+ 0 0 43 212,-0.5 4,-1.7 2,-0.2 5,-0.1 0.885 112.5 48.1 -73.1 -37.4 27.7 20.6 32.6 47 64 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.914 113.4 48.7 -66.4 -41.4 29.2 19.3 35.8 48 65 A K H X S+ 0 0 67 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.807 105.3 57.6 -68.7 -29.4 26.2 17.0 36.2 49 66 A L H X S+ 0 0 30 -4,-1.6 4,-2.2 -5,-0.2 -1,-0.2 0.919 108.4 47.4 -65.4 -42.5 26.6 15.7 32.6 50 67 A I H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.902 113.1 48.6 -63.5 -42.1 30.2 14.7 33.5 51 68 A A H X S+ 0 0 4 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.932 112.1 46.9 -65.6 -46.5 29.0 13.0 36.7 52 69 A V H X S+ 0 0 24 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.890 110.8 52.2 -64.7 -39.5 26.2 11.1 35.1 53 70 A S H < S+ 0 0 0 -4,-2.2 4,-0.5 -5,-0.2 -1,-0.2 0.907 112.9 46.3 -62.1 -40.6 28.5 9.9 32.2 54 71 A T H >< S+ 0 0 1 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.924 110.1 52.2 -67.0 -46.3 31.0 8.7 34.8 55 72 A I H 3X S+ 0 0 17 -4,-2.8 4,-1.3 1,-0.3 -1,-0.2 0.817 99.1 64.9 -61.3 -31.6 28.3 6.9 37.0 56 73 A L H 3X S+ 0 0 7 -4,-1.8 4,-2.7 1,-0.2 5,-0.3 0.757 88.9 71.6 -64.2 -21.9 27.0 5.1 33.9 57 74 A V H <> S+ 0 0 0 -3,-1.4 4,-2.2 -4,-0.5 -1,-0.2 0.972 104.0 36.0 -60.5 -55.1 30.4 3.3 33.7 58 75 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.786 113.7 60.2 -70.6 -22.1 29.7 1.1 36.8 59 76 A V H X S+ 0 0 15 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.945 109.8 40.9 -65.2 -49.1 26.0 0.8 35.9 60 77 A V H X S+ 0 0 24 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.910 115.3 54.5 -64.0 -39.3 27.0 -0.8 32.6 61 78 A S H X S+ 0 0 2 -4,-2.2 4,-2.7 -5,-0.3 5,-0.3 0.914 104.2 50.6 -63.9 -44.2 29.6 -2.8 34.4 62 79 A I H X S+ 0 0 17 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.937 113.6 47.7 -61.0 -40.0 27.3 -4.3 37.1 63 80 A A H X S+ 0 0 20 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.2 0.884 110.7 52.6 -64.8 -39.3 25.0 -5.4 34.3 64 81 A S H X S+ 0 0 7 -4,-2.3 4,-1.7 1,-0.2 3,-0.3 0.965 109.8 45.9 -61.3 -53.8 28.0 -6.8 32.3 65 82 A Y H X S+ 0 0 1 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.804 110.1 54.4 -61.8 -30.6 29.2 -9.0 35.2 66 83 A T H X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.3 6,-0.3 0.866 107.4 52.2 -70.1 -35.0 25.7 -10.2 36.0 67 84 A G H < S+ 0 0 2 -4,-1.7 6,-2.7 -3,-0.3 5,-0.4 0.851 114.5 42.1 -67.9 -34.6 25.5 -11.3 32.3 68 85 A L H >< S+ 0 0 0 -4,-1.7 3,-1.0 4,-0.2 -2,-0.2 0.947 115.8 47.0 -75.6 -52.0 28.8 -13.2 32.6 69 86 A A H 3< S+ 0 0 0 -4,-2.9 -2,-0.2 1,-0.3 -57,-0.2 0.828 111.7 51.7 -60.6 -34.2 28.1 -14.8 36.0 70 87 A S T 3< S- 0 0 0 -4,-2.0 -62,-0.3 -5,-0.2 -1,-0.3 0.673 111.6-122.7 -77.1 -16.1 24.6 -15.8 35.0 71 88 A G S X S+ 0 0 2 -3,-1.0 3,-1.3 -4,-0.4 -3,-0.2 0.358 80.1 120.8 90.3 -7.0 26.1 -17.5 31.9 72 89 A L T 3 S+ 0 0 43 -5,-0.4 -4,-0.2 -6,-0.3 -5,-0.1 0.881 80.7 34.8 -55.6 -43.6 23.8 -15.4 29.7 73 90 A T T 3 S+ 0 0 17 -6,-2.7 32,-2.2 -9,-0.2 2,-0.3 -0.104 102.0 90.1-109.0 36.2 26.8 -13.8 27.9 74 91 A I < + 0 0 6 -3,-1.3 2,-0.3 -7,-0.2 29,-0.2 -0.965 47.7 175.8-127.9 145.8 29.2 -16.7 27.8 75 92 A S E -A 102 0A 41 27,-2.2 27,-3.8 -2,-0.3 2,-0.6 -0.956 31.3-121.4-145.1 161.8 29.6 -19.4 25.1 76 93 A V E -A 101 0A 21 -2,-0.3 2,-0.4 25,-0.2 25,-0.2 -0.938 36.8-178.4-108.7 113.7 31.8 -22.4 24.3 77 94 A L E -A 100 0A 37 23,-2.1 23,-2.4 -2,-0.6 2,-0.6 -0.895 25.7-130.1-116.2 144.8 33.4 -22.0 21.0 78 95 A E - 0 0 133 -2,-0.4 8,-0.1 21,-0.3 21,-0.1 -0.811 28.5-130.7 -93.0 124.1 35.7 -24.3 19.1 79 96 A M - 0 0 15 -2,-0.6 8,-0.3 6,-0.3 74,-0.1 -0.412 25.8-106.3 -74.1 149.4 38.8 -22.5 17.9 80 97 A P > - 0 0 8 0, 0.0 3,-1.7 0, 0.0 6,-0.2 -0.146 48.9 -70.4 -70.2 170.2 40.0 -22.9 14.3 81 98 A A T 3 S+ 0 0 75 73,-0.3 75,-0.4 1,-0.2 3,-0.1 -0.324 120.7 25.9 -61.7 138.1 42.9 -25.0 13.0 82 99 A G T 3 S+ 0 0 48 1,-0.4 2,-0.3 -3,-0.1 -1,-0.2 0.226 88.1 128.8 92.6 -15.7 46.3 -23.6 13.9 83 100 A H X - 0 0 3 -3,-1.7 3,-2.4 1,-0.1 -1,-0.4 -0.566 67.7-126.9 -74.7 136.0 44.9 -21.8 16.9 84 101 A F T 3 S+ 0 0 149 134,-0.3 -1,-0.1 1,-0.3 135,-0.1 0.627 110.2 47.6 -59.0 -12.5 46.9 -22.5 20.1 85 102 A A T > S+ 0 0 3 133,-0.2 3,-1.2 -5,-0.2 -6,-0.3 0.304 80.1 126.5-111.2 8.5 43.7 -23.5 21.8 86 103 A E T < S+ 0 0 96 -3,-2.4 -8,-0.0 1,-0.3 -5,-0.0 -0.404 72.5 28.0 -66.1 142.2 42.3 -25.8 19.1 87 104 A G T 3 S+ 0 0 72 -8,-0.3 -1,-0.3 1,-0.3 2,-0.2 0.693 90.3 144.6 80.5 18.0 41.5 -29.2 20.4 88 105 A S < - 0 0 43 -3,-1.2 11,-3.2 -9,-0.1 2,-0.3 -0.547 35.3-152.0 -89.3 157.0 40.8 -27.9 23.9 89 106 A S B -B 98 0B 53 9,-0.3 9,-0.2 -2,-0.2 7,-0.1 -0.926 13.4-169.9-126.5 152.2 38.1 -29.3 26.2 90 107 A V - 0 0 23 7,-2.4 8,-0.1 -2,-0.3 -1,-0.1 0.596 32.1-131.8-116.6 -18.3 36.2 -27.5 29.0 91 108 A M - 0 0 117 6,-0.5 2,-0.4 1,-0.2 5,-0.3 0.989 34.0-173.2 60.8 78.2 34.4 -30.4 30.8 92 109 A L B > -C 95 0C 3 3,-0.9 3,-1.8 2,-0.0 -1,-0.2 -0.876 48.0 -26.2-108.5 137.9 30.9 -28.8 31.0 93 110 A G T 3 S- 0 0 53 -2,-0.4 4,-0.0 -87,-0.4 -91,-0.0 -0.393 123.8 -29.8 63.4-135.1 28.0 -30.4 32.9 94 111 A G T 3 S+ 0 0 75 -2,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.117 129.4 58.8-102.8 21.3 28.4 -34.2 33.2 95 112 A E B < S-C 92 0C 148 -3,-1.8 -3,-0.9 2,-0.0 2,-0.5 -0.940 85.8-104.3-143.7 163.5 30.3 -34.5 29.9 96 113 A E - 0 0 108 -2,-0.3 2,-0.4 -5,-0.3 -2,-0.0 -0.814 36.2-165.0 -93.3 125.3 33.5 -33.2 28.2 97 114 A V - 0 0 40 -2,-0.5 -7,-2.4 2,-0.1 -6,-0.5 -0.940 16.2-126.3-115.6 131.3 32.8 -30.5 25.6 98 115 A D B +B 89 0B 81 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.3 -0.417 69.0 45.2 -73.5 148.2 35.3 -29.4 23.0 99 116 A G S S- 0 0 4 -11,-3.2 2,-0.3 -14,-0.2 -21,-0.3 -0.800 83.9 -74.3 120.9-164.1 36.2 -25.7 22.6 100 117 A V E -A 77 0A 8 -23,-2.4 -23,-2.1 -2,-0.3 2,-0.7 -0.978 40.9-103.1-137.5 148.0 37.0 -22.9 25.0 101 118 A V E -A 76 0A 5 -2,-0.3 2,-0.7 -25,-0.2 -25,-0.2 -0.632 39.8-161.3 -74.5 111.9 34.8 -20.9 27.4 102 119 A T E -A 75 0A 0 -27,-3.8 -27,-2.2 -2,-0.7 2,-1.4 -0.864 12.2-162.6-101.7 112.2 34.4 -17.5 25.6 103 120 A M > + 0 0 8 -2,-0.7 3,-1.6 -29,-0.2 4,-0.5 -0.474 28.1 156.4 -92.1 65.4 33.3 -14.7 27.8 104 121 A W T 3> + 0 0 53 -2,-1.4 4,-2.0 1,-0.3 -1,-0.2 0.698 55.6 83.1 -64.8 -19.8 32.1 -12.5 24.9 105 122 A G H 3> S+ 0 0 0 -32,-2.2 4,-1.7 -3,-0.2 -1,-0.3 0.747 86.2 58.7 -56.7 -24.0 29.8 -10.6 27.3 106 123 A R H <> S+ 0 0 1 -3,-1.6 4,-1.6 -33,-0.2 -1,-0.2 0.966 106.1 44.8 -69.0 -52.9 32.9 -8.5 28.2 107 124 A Y H > S+ 0 0 3 -4,-0.5 4,-0.8 1,-0.2 40,-0.2 0.868 112.0 54.6 -59.0 -38.9 33.6 -7.2 24.7 108 125 A L H >< S+ 0 0 76 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.908 110.9 41.8 -63.9 -46.8 29.9 -6.5 24.1 109 126 A T H >X S+ 0 0 21 -4,-1.7 4,-2.5 1,-0.2 3,-1.8 0.716 100.3 71.4 -76.7 -19.8 29.4 -4.2 27.1 110 127 A W H 3X S+ 0 0 29 -4,-1.6 4,-2.5 1,-0.3 -1,-0.2 0.854 89.1 65.1 -61.2 -31.2 32.7 -2.4 26.6 111 128 A A H << S+ 0 0 14 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.639 111.8 34.1 -64.4 -15.0 31.0 -0.9 23.6 112 129 A L H <4 S+ 0 0 104 -3,-1.8 4,-0.5 -4,-0.1 -2,-0.2 0.734 122.9 42.6-107.6 -38.8 28.6 0.8 26.1 113 130 A S H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 3,-0.5 0.872 108.8 54.1 -79.7 -40.6 30.9 1.5 29.0 114 131 A T H X S+ 0 0 13 -4,-2.5 4,-2.0 1,-0.2 5,-0.1 0.864 102.8 56.9 -66.1 -33.7 34.1 2.7 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