==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 25-JUN-01 1JGJ . COMPND 2 MOLECULE: SENSORY RHODOPSIN II; . SOURCE 2 ORGANISM_SCIENTIFIC: NATRONOMONAS PHARAONIS; . AUTHOR H.LUECKE . 217 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10031.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 87.1 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 . 4 1.8 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 . 1 0.5 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 . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.8 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 1 0 0 0 0 0 0 0 0 0 1 0 0 1 2 1 0 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 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 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 M > 0 0 156 0, 0.0 4,-1.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 123.4 49.8 50.3 -6.4 2 2 A V H > + 0 0 119 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.763 360.0 60.2 -73.3 -27.5 47.6 48.5 -8.8 3 3 A G H > S+ 0 0 29 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.862 101.4 51.2 -70.0 -37.0 50.4 46.2 -9.8 4 4 A L H > S+ 0 0 12 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.911 109.3 52.5 -66.9 -40.9 50.8 44.9 -6.3 5 5 A T H X S+ 0 0 37 -4,-1.2 4,-2.1 1,-0.2 -2,-0.2 0.901 108.3 48.0 -62.1 -44.5 47.1 44.1 -6.1 6 6 A T H X S+ 0 0 72 -4,-1.8 4,-3.2 1,-0.2 -1,-0.2 0.887 108.9 54.3 -66.7 -36.2 47.0 42.1 -9.4 7 7 A L H X S+ 0 0 31 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.881 109.7 48.8 -62.1 -36.5 50.1 40.1 -8.3 8 8 A F H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.870 111.2 49.4 -69.5 -38.4 48.1 39.3 -5.1 9 9 A W H X S+ 0 0 102 -4,-2.1 4,-3.3 2,-0.2 5,-0.3 0.958 106.8 54.4 -65.3 -49.9 45.1 38.3 -7.2 10 10 A L H X S+ 0 0 95 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.869 111.2 48.1 -50.2 -38.4 47.2 36.1 -9.4 11 11 A G H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.925 111.2 47.1 -69.7 -46.2 48.4 34.4 -6.3 12 12 A A H X S+ 0 0 10 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.913 115.6 47.2 -60.8 -44.8 44.9 33.9 -4.7 13 13 A I H X S+ 0 0 98 -4,-3.3 4,-2.4 2,-0.2 5,-0.2 0.926 112.0 48.8 -61.9 -50.2 43.6 32.6 -8.1 14 14 A G H X S+ 0 0 17 -4,-2.4 4,-1.1 -5,-0.3 -1,-0.2 0.843 114.3 46.5 -60.8 -35.9 46.6 30.2 -8.5 15 15 A M H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.880 108.2 56.8 -74.3 -37.8 46.1 28.9 -5.0 16 16 A L H X S+ 0 0 91 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.968 107.4 46.9 -57.4 -52.5 42.4 28.5 -5.5 17 17 A V H X S+ 0 0 78 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.829 111.8 53.0 -59.9 -30.2 42.8 26.3 -8.5 18 18 A G H X S+ 0 0 0 -4,-1.1 4,-2.3 -5,-0.2 -1,-0.2 0.957 112.5 43.4 -68.5 -48.5 45.4 24.3 -6.5 19 19 A T H X S+ 0 0 20 -4,-2.9 4,-3.2 2,-0.2 5,-0.4 0.977 114.2 47.3 -58.4 -62.5 43.0 23.8 -3.6 20 20 A L H X S+ 0 0 104 -4,-2.7 4,-1.9 1,-0.3 -1,-0.2 0.906 113.7 51.3 -47.0 -46.8 39.9 22.9 -5.6 21 21 A A H X S+ 0 0 32 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.3 0.892 113.5 42.4 -59.7 -44.0 42.1 20.5 -7.6 22 22 A F H X S+ 0 0 0 -4,-2.3 4,-2.4 -3,-0.3 -2,-0.2 0.836 112.2 53.6 -73.6 -33.8 43.5 18.8 -4.5 23 23 A A H X S+ 0 0 41 -4,-3.2 4,-0.9 2,-0.2 -1,-0.2 0.832 111.4 47.9 -68.3 -32.9 40.1 18.7 -2.7 24 24 A W H >< S+ 0 0 175 -4,-1.9 3,-0.6 -5,-0.4 -2,-0.2 0.944 113.2 45.0 -72.5 -48.7 38.7 17.0 -5.8 25 25 A A H 3< S+ 0 0 35 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.867 112.9 53.9 -62.5 -34.0 41.6 14.5 -6.0 26 26 A G H 3< S+ 0 0 0 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.737 82.5 109.7 -72.0 -23.4 41.2 14.0 -2.3 27 27 A R S << S+ 0 0 144 -4,-0.9 -3,-0.0 -3,-0.6 -4,-0.0 -0.294 85.8 14.9 -54.1 133.1 37.5 13.2 -2.7 28 28 A D S S+ 0 0 155 1,-0.2 2,-0.4 2,-0.0 -1,-0.2 0.994 90.3 163.4 62.4 66.8 36.9 9.5 -2.0 29 29 A A - 0 0 27 -3,-0.2 -1,-0.2 1,-0.1 5,-0.1 -0.943 41.8 -97.0-122.0 141.0 40.2 8.7 -0.3 30 30 A G >> - 0 0 32 -2,-0.4 4,-1.5 1,-0.2 3,-1.2 -0.064 36.1-110.4 -50.2 148.8 41.3 5.7 1.8 31 31 A S T 34 S+ 0 0 138 1,-0.3 -1,-0.2 2,-0.2 -2,-0.0 0.064 117.2 50.2 -71.7 29.5 41.1 6.0 5.6 32 32 A G T 34 S+ 0 0 52 -2,-0.8 -1,-0.3 0, 0.0 -2,-0.1 -0.042 114.9 33.7-157.5 38.1 44.9 5.9 5.5 33 33 A E T X> S+ 0 0 93 -3,-1.2 3,-1.5 -4,-0.1 4,-1.0 0.295 84.3 92.7-167.3 -18.9 46.0 8.4 2.9 34 34 A R H 3X S+ 0 0 87 -4,-1.5 4,-3.1 1,-0.3 5,-0.3 0.831 74.5 76.8 -57.7 -30.7 43.4 11.3 3.1 35 35 A R H 3> S+ 0 0 104 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.845 94.8 48.8 -47.8 -39.6 45.9 12.9 5.5 36 36 A Y H <> S+ 0 0 54 -3,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.960 112.6 44.9 -66.2 -54.8 48.0 13.9 2.5 37 37 A Y H X S+ 0 0 47 -4,-1.0 4,-1.7 1,-0.2 -2,-0.2 0.920 115.2 48.8 -56.2 -46.6 45.1 15.3 0.4 38 38 A V H X S+ 0 0 81 -4,-3.1 4,-0.9 2,-0.2 -1,-0.2 0.838 111.7 47.7 -65.3 -35.4 43.7 17.2 3.4 39 39 A T H X S+ 0 0 11 -4,-1.7 4,-2.3 -5,-0.3 3,-0.4 0.893 110.7 53.0 -73.4 -36.0 47.1 18.7 4.4 40 40 A L H X S+ 0 0 4 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.846 107.4 52.0 -65.2 -33.2 47.7 19.7 0.7 41 41 A V H X S+ 0 0 35 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.734 109.6 49.9 -75.2 -24.3 44.3 21.5 0.8 42 42 A G H X S+ 0 0 22 -4,-0.9 4,-2.5 -3,-0.4 5,-0.4 0.893 107.6 51.8 -79.9 -42.8 45.3 23.4 3.9 43 43 A I H X S+ 0 0 1 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.923 119.7 37.3 -56.9 -45.3 48.6 24.5 2.5 44 44 A S H X S+ 0 0 0 -4,-1.7 4,-2.6 -5,-0.2 -2,-0.2 0.907 116.7 50.2 -72.5 -48.4 46.8 25.9 -0.6 45 45 A G H X S+ 0 0 22 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.893 110.1 48.7 -60.3 -46.1 43.7 27.1 1.1 46 46 A I H X S+ 0 0 51 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.942 113.6 47.1 -61.2 -48.6 45.4 29.1 3.8 47 47 A A H X S+ 0 0 0 -4,-1.2 4,-2.7 -5,-0.4 -2,-0.2 0.910 109.8 53.8 -60.0 -44.1 47.7 30.8 1.2 48 48 A A H X S+ 0 0 14 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.949 110.1 47.3 -55.6 -49.5 44.8 31.6 -1.1 49 49 A V H X S+ 0 0 97 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.932 111.6 50.9 -57.4 -48.0 43.0 33.3 1.8 50 50 A A H X S+ 0 0 9 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.886 111.6 47.7 -57.6 -43.0 46.2 35.3 2.7 51 51 A Y H X S+ 0 0 2 -4,-2.7 4,-3.1 2,-0.2 5,-0.2 0.929 111.1 48.9 -66.4 -46.9 46.6 36.4 -0.9 52 52 A A H X S+ 0 0 28 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.888 110.7 52.9 -60.4 -38.5 43.0 37.5 -1.4 53 53 A V H <>S+ 0 0 49 -4,-2.3 5,-2.2 -5,-0.2 -1,-0.2 0.920 113.5 42.1 -62.6 -45.0 43.2 39.4 1.9 54 54 A M H ><5S+ 0 0 1 -4,-2.0 3,-2.0 1,-0.2 -2,-0.2 0.884 110.6 56.1 -69.3 -38.5 46.4 41.2 0.7 55 55 A A H 3<5S+ 0 0 6 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.875 104.3 56.2 -60.1 -35.6 44.9 41.8 -2.7 56 56 A L T 3<5S- 0 0 123 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.391 126.1-100.5 -76.7 0.6 42.0 43.5 -0.9 57 57 A G T X 5S+ 0 0 45 -3,-2.0 3,-0.5 1,-0.3 2,-0.3 0.543 76.8 136.8 93.1 7.2 44.3 46.0 0.8 58 58 A V T 3 < + 0 0 85 -5,-2.2 -1,-0.3 1,-0.2 3,-0.1 -0.708 60.7 17.6 -95.6 140.9 44.5 44.3 4.2 59 59 A G T 3 S+ 0 0 19 -2,-0.3 11,-1.8 1,-0.2 2,-1.6 0.538 72.7 139.3 84.8 8.8 47.8 43.9 6.2 60 60 A W E < +A 69 0A 75 -3,-0.5 9,-0.2 9,-0.2 -1,-0.2 -0.607 30.4 172.8 -85.5 81.2 49.9 46.5 4.4 61 61 A V E -A 68 0A 48 7,-1.9 7,-3.4 -2,-1.6 2,-0.2 -0.765 27.5-132.2 -99.6 133.9 51.6 47.9 7.5 62 62 A P E +A 67 0A 101 0, 0.0 5,-0.3 0, 0.0 3,-0.0 -0.536 28.4 167.3 -79.1 144.3 54.5 50.5 7.4 63 63 A V - 0 0 34 3,-2.2 4,-0.1 -2,-0.2 54,-0.1 0.683 68.7 -23.9-120.1 -66.9 57.6 49.9 9.5 64 64 A A S S- 0 0 56 2,-0.2 56,-0.0 54,-0.1 3,-0.0 0.584 123.4 -34.5-112.5 -88.7 60.5 52.2 8.7 65 65 A E S S+ 0 0 138 117,-0.1 2,-0.2 54,-0.1 0, 0.0 0.150 128.8 65.5-121.0 9.9 60.4 53.5 5.1 66 66 A R S S- 0 0 16 116,-0.0 -3,-2.2 117,-0.0 2,-0.4 -0.639 77.0-121.5-124.2 178.9 58.9 50.3 3.9 67 67 A T E -A 62 0A 63 -5,-0.3 2,-0.4 -2,-0.2 -7,-0.1 -0.972 17.8-152.5-125.9 140.6 55.7 48.3 4.2 68 68 A V E -A 61 0A 6 -7,-3.4 -7,-1.9 -2,-0.4 2,-1.0 -0.952 12.4-138.1-114.5 134.7 55.5 44.7 5.5 69 69 A F E >> -A 60 0A 9 -2,-0.4 3,-1.4 -9,-0.2 4,-0.8 -0.788 16.4-170.3 -95.8 97.3 52.7 42.4 4.4 70 70 A V H >> S+ 0 0 31 -11,-1.8 4,-2.2 -2,-1.0 3,-0.6 0.852 78.2 65.8 -56.0 -41.7 51.6 40.6 7.5 71 71 A P H 3> S+ 0 0 12 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.715 96.3 60.2 -55.6 -22.0 49.3 38.0 5.8 72 72 A R H <> S+ 0 0 14 -3,-1.4 4,-2.9 2,-0.2 -2,-0.2 0.931 108.8 40.4 -69.8 -48.6 52.4 36.6 4.1 73 73 A Y H X S+ 0 0 2 -4,-1.6 4,-3.3 -5,-0.3 3,-0.9 0.981 112.5 47.9 -54.8 -62.9 50.5 32.2 6.0 76 76 A W H 3X S+ 0 0 29 -4,-2.9 4,-2.2 1,-0.3 -2,-0.2 0.879 108.9 52.8 -45.2 -51.7 54.2 31.0 6.1 77 77 A I H 3< S+ 0 0 34 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.843 119.0 37.1 -57.4 -34.5 54.1 30.2 9.8 78 78 A L H S+ 0 0 21 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.910 106.8 51.5 -64.3 -36.8 55.0 23.4 8.9 82 82 A L H X S+ 0 0 49 -4,-0.6 4,-2.9 -3,-0.4 -2,-0.2 0.892 108.0 52.2 -63.3 -38.6 52.3 21.5 7.0 83 83 A I H X S+ 0 0 1 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.913 111.1 46.7 -62.4 -43.2 54.7 21.1 4.1 84 84 A V H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.841 110.6 53.5 -67.1 -34.7 57.3 19.7 6.5 85 85 A Y H X S+ 0 0 79 -4,-2.2 4,-2.3 2,-0.2 3,-0.3 0.986 109.0 48.2 -61.9 -57.4 54.6 17.4 8.0 86 86 A F H >X S+ 0 0 4 -4,-2.9 4,-1.8 1,-0.3 3,-0.5 0.937 112.1 48.9 -46.7 -57.4 53.7 16.1 4.5 87 87 A L H 3X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.3 0.867 111.1 53.1 -51.6 -38.3 57.4 15.5 3.8 88 88 A G H 3X>S+ 0 0 0 -4,-2.1 5,-1.9 -3,-0.3 4,-1.5 0.845 102.6 54.9 -68.3 -36.0 57.6 13.8 7.2 89 89 A L H <<5S+ 0 0 27 -4,-2.3 -1,-0.2 -3,-0.5 -2,-0.2 0.904 109.7 49.1 -64.9 -39.0 54.7 11.4 6.5 90 90 A L H <5S+ 0 0 2 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.966 109.3 50.3 -62.0 -54.6 56.5 10.2 3.4 91 91 A A H <5S- 0 0 1 -4,-2.1 60,-0.2 -5,-0.2 -1,-0.2 0.768 112.3-121.5 -56.2 -28.0 59.8 9.7 5.2 92 92 A G T <5 + 0 0 41 -4,-1.5 -3,-0.2 -5,-0.1 -2,-0.1 0.742 48.4 171.6 90.4 24.9 58.0 7.7 7.8 93 93 A L < - 0 0 16 -5,-1.9 2,-0.2 1,-0.1 -1,-0.1 -0.181 22.3-139.0 -65.0 158.9 59.0 9.8 10.8 94 94 A D > - 0 0 77 1,-0.0 4,-2.8 0, 0.0 5,-0.2 -0.552 39.0 -83.2-109.5 177.3 57.5 9.3 14.3 95 95 A S H > S+ 0 0 110 -2,-0.2 4,-3.6 1,-0.2 5,-0.3 0.919 124.9 57.8 -47.5 -53.1 56.4 11.9 16.8 96 96 A R H > S+ 0 0 178 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.928 114.6 33.1 -41.5 -70.1 60.0 12.3 18.1 97 97 A E H > S+ 0 0 25 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.878 117.5 56.3 -59.1 -41.4 61.6 13.3 14.8 98 98 A F H X S+ 0 0 31 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.978 105.4 52.0 -53.2 -58.4 58.4 15.1 13.6 99 99 A G H X S+ 0 0 36 -4,-3.6 4,-1.7 -5,-0.2 -1,-0.2 0.842 109.2 50.6 -46.3 -43.8 58.5 17.3 16.7 100 100 A I H X S+ 0 0 74 -4,-1.6 4,-2.0 -5,-0.3 -1,-0.2 0.953 111.9 43.6 -63.3 -53.4 62.1 18.3 16.1 101 101 A V H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.842 111.9 55.3 -62.8 -36.4 61.8 19.4 12.4 102 102 A I H X S+ 0 0 46 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.916 109.3 43.7 -64.2 -47.0 58.5 21.2 13.1 103 103 A T H X S+ 0 0 91 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.919 111.1 54.4 -66.5 -43.0 59.9 23.5 15.8 104 104 A L H X S+ 0 0 45 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.853 109.7 50.1 -57.5 -33.7 63.1 24.2 13.9 105 105 A N H X S+ 0 0 0 -4,-1.4 4,-1.6 -5,-0.2 -1,-0.2 0.898 108.6 51.2 -70.7 -41.9 60.7 25.2 11.1 106 106 A T H X S+ 0 0 43 -4,-2.0 4,-2.9 1,-0.2 5,-0.3 0.835 103.4 58.9 -65.3 -36.1 58.7 27.6 13.3 107 107 A V H X S+ 0 0 43 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.950 106.6 46.5 -62.7 -46.8 61.8 29.3 14.6 108 108 A V H X S+ 0 0 21 -4,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.899 115.9 45.3 -64.3 -36.7 62.9 30.5 11.2 109 109 A M H X S+ 0 0 21 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.931 115.8 45.8 -71.5 -42.9 59.4 31.7 10.3 110 110 A L H X S+ 0 0 85 -4,-2.9 4,-3.1 1,-0.2 5,-0.2 0.907 114.8 48.4 -62.9 -43.8 58.9 33.4 13.6 111 111 A A H X S+ 0 0 10 -4,-2.9 4,-2.1 -5,-0.3 -1,-0.2 0.821 111.4 49.9 -67.0 -34.1 62.3 35.0 13.4 112 112 A G H X S+ 0 0 16 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.895 113.7 45.8 -71.4 -39.3 61.7 36.1 9.9 113 113 A F H X S+ 0 0 49 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.958 113.9 47.0 -67.1 -52.1 58.4 37.7 10.9 114 114 A A H >X S+ 0 0 42 -4,-3.1 3,-0.7 1,-0.2 4,-0.6 0.946 112.3 53.0 -54.5 -48.7 59.8 39.4 13.9 115 115 A G H >< S+ 0 0 0 -4,-2.1 3,-1.1 1,-0.3 -1,-0.2 0.889 107.9 47.9 -54.7 -45.7 62.7 40.6 11.9 116 116 A A H 3< S+ 0 0 0 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.718 108.8 58.0 -70.5 -18.8 60.5 42.2 9.2 117 117 A M H << S+ 0 0 72 -4,-1.4 -1,-0.2 -3,-0.7 -2,-0.2 0.508 91.9 79.7 -89.2 -6.1 58.4 43.9 11.9 118 118 A V << - 0 0 36 -3,-1.1 -54,-0.1 -4,-0.6 -55,-0.1 -0.851 61.6-156.0-105.5 139.6 61.3 45.8 13.6 119 119 A P + 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -54,-0.1 0.814 68.1 79.9 -80.7 -31.2 62.7 49.1 12.2 120 120 A G S > S- 0 0 24 1,-0.1 3,-1.8 -56,-0.0 4,-0.2 -0.135 94.8 -99.4 -75.8 171.2 66.2 48.9 13.7 121 121 A I T >> S+ 0 0 135 1,-0.3 3,-2.1 2,-0.2 4,-0.6 0.674 109.8 82.1 -64.5 -16.7 69.3 47.0 12.7 122 122 A E H 3> S+ 0 0 105 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.666 72.8 80.9 -63.6 -10.2 68.6 44.3 15.2 123 123 A R H <> S+ 0 0 35 -3,-1.8 4,-2.6 1,-0.3 -1,-0.3 0.858 86.4 55.9 -62.0 -33.5 66.2 43.0 12.6 124 124 A Y H <> S+ 0 0 82 -3,-2.1 4,-3.1 2,-0.2 -1,-0.3 0.857 102.2 56.1 -66.7 -32.6 69.3 41.5 11.0 125 125 A A H X S+ 0 0 67 -4,-0.6 4,-1.4 -3,-0.3 -2,-0.2 0.924 109.4 45.4 -63.5 -43.8 69.9 39.7 14.3 126 126 A L H X S+ 0 0 52 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.904 112.8 51.0 -65.0 -42.7 66.4 38.2 14.0 127 127 A F H X S+ 0 0 37 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.927 107.4 53.6 -60.3 -43.9 67.1 37.3 10.4 128 128 A G H X S+ 0 0 31 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.825 103.8 57.1 -60.9 -30.4 70.4 35.7 11.4 129 129 A M H X S+ 0 0 111 -4,-1.4 4,-1.5 1,-0.2 -1,-0.2 0.916 108.2 45.2 -67.6 -41.1 68.5 33.6 13.9 130 130 A G H X S+ 0 0 7 -4,-1.7 4,-2.0 -3,-0.2 -2,-0.2 0.840 107.7 60.6 -70.1 -30.9 66.2 32.2 11.2 131 131 A A H X S+ 0 0 37 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.932 107.1 42.8 -61.8 -47.8 69.3 31.6 8.9 132 132 A V H X S+ 0 0 91 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.851 113.4 51.8 -69.1 -34.9 71.0 29.2 11.3 133 133 A A H X S+ 0 0 8 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.860 107.8 54.0 -68.0 -36.5 67.7 27.3 12.1 134 134 A F H X S+ 0 0 31 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.902 103.7 52.9 -64.9 -44.7 67.1 26.9 8.4 135 135 A I H X S+ 0 0 121 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.918 110.7 51.1 -58.1 -38.8 70.5 25.3 7.7 136 136 A G H X S+ 0 0 24 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.966 108.3 49.4 -60.7 -53.8 69.5 22.9 10.6 137 137 A L H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.3 -2,-0.2 0.872 111.2 50.1 -52.5 -43.0 66.2 22.1 9.0 138 138 A V H X S+ 0 0 33 -4,-2.7 4,-2.5 2,-0.2 5,-0.4 0.855 106.7 56.3 -65.4 -36.3 67.9 21.4 5.6 139 139 A Y H X S+ 0 0 151 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.959 108.8 45.2 -59.8 -50.2 70.3 19.2 7.5 140 140 A Y H <>S+ 0 0 32 -4,-2.3 5,-2.6 3,-0.2 6,-0.4 0.809 113.4 53.3 -63.4 -29.7 67.5 17.1 8.8 141 141 A L H <5S+ 0 0 4 -4,-1.6 5,-0.3 -5,-0.2 -2,-0.2 0.980 119.5 28.6 -69.1 -58.7 65.9 17.1 5.4 142 142 A V H <5S+ 0 0 81 -4,-2.5 -2,-0.2 3,-0.1 -1,-0.2 0.631 130.7 43.5 -77.8 -15.4 68.8 15.8 3.3 143 143 A G T >X5S+ 0 0 23 -4,-1.8 4,-2.1 -5,-0.4 3,-0.9 0.646 124.4 1.5 -96.0-110.1 70.1 13.9 6.2 144 144 A P H 3>5S+ 0 0 43 0, 0.0 4,-1.7 0, 0.0 -3,-0.1 0.804 128.7 55.0 -51.9 -38.7 68.1 11.8 8.7 145 145 A M H 3> S+ 0 0 34 -3,-0.9 4,-1.3 -6,-0.4 3,-0.9 0.960 110.6 46.4 -72.9 -53.1 66.3 11.0 3.8 147 147 A E H 3< S+ 0 0 130 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.845 112.4 55.3 -57.9 -30.2 67.9 7.9 5.2 148 148 A S H >< S+ 0 0 32 -4,-1.7 3,-0.6 -5,-0.3 -1,-0.3 0.798 106.5 48.6 -72.1 -30.0 64.6 7.4 7.0 149 149 A A H X< S+ 0 0 3 -4,-1.0 3,-1.7 -3,-0.9 -1,-0.2 0.642 91.0 79.9 -83.8 -15.8 62.7 7.5 3.7 150 150 A S T 3< S+ 0 0 35 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.390 84.0 66.4 -72.2 6.3 65.1 5.1 2.1 151 151 A Q T < S+ 0 0 136 -3,-0.6 -1,-0.3 -60,-0.2 2,-0.2 0.250 87.0 85.3-108.5 8.2 63.1 2.4 3.9 152 152 A R S < S- 0 0 85 -3,-1.7 -61,-0.0 1,-0.2 -62,-0.0 -0.482 94.5 -66.9-102.5 176.3 59.9 2.9 1.9 153 153 A S > - 0 0 70 -2,-0.2 4,-3.1 1,-0.1 5,-0.3 -0.212 52.0-106.2 -58.6 153.8 58.8 1.4 -1.5 154 154 A S H > S+ 0 0 98 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.772 122.7 58.4 -54.1 -24.5 60.8 2.6 -4.5 155 155 A G H > S+ 0 0 43 2,-0.2 4,-1.6 1,-0.1 -1,-0.2 0.965 110.3 36.4 -70.3 -54.4 57.7 4.7 -5.2 156 156 A I H > S+ 0 0 48 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.899 113.5 60.0 -65.0 -42.0 57.6 6.6 -2.0 157 157 A K H X S+ 0 0 78 -4,-3.1 4,-1.3 1,-0.2 -1,-0.2 0.865 109.5 42.2 -55.2 -39.4 61.4 6.8 -1.8 158 158 A S H X S+ 0 0 53 -4,-1.3 4,-1.7 -5,-0.3 -1,-0.2 0.807 111.1 54.2 -80.6 -30.5 61.5 8.6 -5.2 159 159 A L H X S+ 0 0 22 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.949 108.7 49.6 -67.0 -47.7 58.5 11.0 -4.5 160 160 A Y H X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.913 110.3 50.5 -55.8 -46.5 60.2 12.2 -1.3 161 161 A V H X S+ 0 0 44 -4,-1.3 4,-1.5 -5,-0.3 -1,-0.2 0.853 110.8 47.7 -63.5 -36.9 63.5 12.9 -3.0 162 162 A R H X S+ 0 0 119 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.936 115.6 45.6 -69.9 -44.3 61.9 14.9 -5.8 163 163 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.833 111.6 51.0 -68.3 -33.3 59.9 16.9 -3.3 164 164 A R H X S+ 0 0 37 -4,-2.6 4,-3.0 -5,-0.2 5,-0.3 0.841 111.9 47.0 -75.3 -29.9 62.8 17.5 -1.0 165 165 A N H X S+ 0 0 80 -4,-1.5 4,-2.8 -5,-0.2 5,-0.4 0.954 113.4 48.1 -71.7 -48.4 65.0 18.7 -3.8 166 166 A L H X S+ 0 0 32 -4,-2.5 4,-2.1 -5,-0.2 5,-0.3 0.939 118.5 43.0 -53.5 -48.3 62.2 21.0 -5.0 167 167 A T H X S+ 0 0 3 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.972 115.5 44.4 -62.6 -60.7 61.7 22.2 -1.5 168 168 A V H X S+ 0 0 35 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.898 115.8 47.9 -52.8 -46.7 65.4 22.6 -0.4 169 169 A V H < S+ 0 0 85 -4,-2.8 4,-0.3 -5,-0.3 -1,-0.2 0.936 118.2 38.4 -65.5 -45.4 66.4 24.3 -3.6 170 170 A L H >X S+ 0 0 26 -4,-2.1 3,-1.5 -5,-0.4 4,-0.8 0.913 113.1 53.4 -73.1 -44.5 63.4 26.8 -3.7 171 171 A W H >< S+ 0 0 17 -4,-3.0 3,-0.8 -5,-0.3 -1,-0.2 0.867 99.4 64.4 -58.8 -36.5 63.2 27.6 -0.0 172 172 A A T 3X S+ 0 0 35 -4,-1.5 4,-0.6 -5,-0.3 -1,-0.3 0.713 97.2 58.6 -62.0 -18.4 66.9 28.5 0.0 173 173 A I H <> S+ 0 0 73 -3,-1.5 4,-2.0 -4,-0.3 3,-0.3 0.829 89.6 71.6 -78.3 -34.9 66.1 31.4 -2.3 174 174 A Y H S+ 0 0 35 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.926 108.6 50.8 -56.6 -43.6 66.2 34.3 2.5 176 176 A F H X S+ 0 0 137 -4,-0.6 4,-2.1 -3,-0.3 5,-0.2 0.905 109.4 50.6 -61.4 -40.5 68.2 36.0 -0.2 177 177 A I H X S+ 0 0 12 -4,-2.0 4,-3.2 2,-0.2 -1,-0.2 0.915 110.3 50.3 -61.7 -42.8 65.1 37.7 -1.5 178 178 A W H < S+ 0 0 19 -4,-2.4 6,-0.6 1,-0.2 8,-0.3 0.936 110.9 49.8 -58.5 -47.2 64.4 38.9 2.0 179 179 A L H < S+ 0 0 51 -4,-2.7 6,-2.5 1,-0.2 -1,-0.2 0.828 120.1 34.7 -62.1 -36.2 68.0 40.2 2.2 180 180 A L H < S+ 0 0 73 -4,-2.1 7,-1.9 4,-0.2 8,-1.5 0.715 107.4 79.8 -92.7 -24.9 67.8 42.1 -1.1 181 181 A G S ><>S- 0 0 0 -4,-3.2 5,-2.7 -5,-0.2 3,-1.8 -0.038 108.5 -76.6 -71.6-177.7 64.1 43.1 -0.8 182 182 A P T 3 5S+ 0 0 16 0, 0.0 -117,-0.1 0, 0.0 -1,-0.1 0.763 122.3 73.2 -53.8 -29.8 62.9 46.1 1.3 183 183 A P T 3 5S+ 0 0 10 0, 0.0 -4,-0.1 0, 0.0 -5,-0.1 0.800 120.6 0.4 -57.6 -26.4 63.3 44.2 4.6 184 184 A G T < 5S- 0 0 13 -3,-1.8 -4,-0.2 -6,-0.6 -5,-0.1 0.357 141.2 -0.4-122.5-103.9 67.0 44.5 4.2 185 185 A V T 5S- 0 0 89 -6,-2.5 -5,-0.2 -7,-0.1 -4,-0.1 0.567 73.0-145.8 -72.9 -9.4 69.0 46.2 1.5 186 186 A A < + 0 0 46 -5,-2.7 -5,-0.2 -8,-0.3 -6,-0.1 0.847 54.1 139.6 43.8 36.2 65.9 47.2 -0.4 187 187 A L + 0 0 131 -7,-1.9 2,-0.4 -6,-0.4 -6,-0.2 0.448 61.3 62.6 -84.7 -2.0 68.0 46.6 -3.5 188 188 A L S S- 0 0 43 -8,-1.5 0, 0.0 -11,-0.1 0, 0.0 -0.976 92.9-118.6-124.4 136.1 64.9 45.0 -4.9 189 189 A T > - 0 0 84 -2,-0.4 4,-3.1 -8,-0.1 5,-0.2 -0.389 24.6-115.2 -73.0 152.1 61.7 46.9 -5.4 190 190 A P H > S+ 0 0 61 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.910 115.4 51.6 -53.2 -44.1 58.5 45.9 -3.5 191 191 A T H > S+ 0 0 58 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.922 113.2 41.0 -61.2 -49.2 56.8 44.9 -6.8 192 192 A V H > S+ 0 0 49 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.924 115.5 54.9 -64.2 -41.3 59.6 42.7 -8.1 193 193 A D H X S+ 0 0 4 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.894 111.7 42.1 -54.6 -46.9 60.0 41.4 -4.6 194 194 A V H X S+ 0 0 1 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.867 111.9 54.6 -70.7 -38.9 56.3 40.4 -4.5 195 195 A A H X S+ 0 0 39 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.941 110.4 47.2 -61.5 -45.6 56.3 39.0 -8.1 196 196 A L H X S+ 0 0 73 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.920 112.8 47.6 -61.5 -46.0 59.2 36.8 -7.1 197 197 A I H X S+ 0 0 3 -4,-1.9 4,-3.6 -5,-0.2 5,-0.3 0.910 108.6 54.9 -62.9 -42.7 57.6 35.6 -3.9 198 198 A V H X S+ 0 0 10 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.927 110.0 46.9 -55.7 -48.4 54.2 34.9 -5.6 199 199 A Y H X S+ 0 0 149 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 0.952 115.4 44.9 -58.6 -50.9 56.0 32.6 -8.1 200 200 A L H X S+ 0 0 10 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.919 112.1 52.1 -59.6 -46.9 57.9 30.8 -5.4 201 201 A D H X S+ 0 0 1 -4,-3.6 4,-0.5 1,-0.2 5,-0.4 0.885 111.3 48.5 -56.6 -42.6 54.8 30.5 -3.2 202 202 A L H >X>S+ 0 0 43 -4,-2.2 5,-2.2 -5,-0.3 4,-2.0 0.964 115.3 41.6 -65.6 -53.4 52.9 28.9 -6.1 203 203 A V H 3<>S+ 0 0 34 -4,-2.5 5,-1.5 1,-0.2 -2,-0.2 0.951 114.3 50.0 -61.1 -50.8 55.6 26.4 -7.1 204 204 A T H 3<5S+ 0 0 3 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.591 127.9 25.6 -66.8 -6.7 56.5 25.3 -3.6 205 205 A K H < S+ 0 0 106 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.937 109.6 45.9 -62.6 -44.8 51.1 12.7 -10.3 215 215 A A H 3< S+ 0 0 33 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.864 91.0 80.5 -65.2 -38.3 52.8 10.2 -8.0 216 216 A A T 3< 0 0 68 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.714 360.0 360.0 -41.7 -23.2 49.5 9.2 -6.4 217 217 A A < 0 0 128 -3,-1.2 -2,-0.1 -4,-0.4 -3,-0.1 0.388 360.0 360.0-126.2 360.0 49.1 7.0 -9.5