==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LUMINESCENT PROTEIN 03-DEC-05 2F8P . COMPND 2 MOLECULE: OBELIN; . SOURCE 2 ORGANISM_SCIENTIFIC: OBELIA LONGISSIMA; . AUTHOR Z.J.LIU,G.A.STEPANYUK,E.S.VYSOTSKI,J.LEE,B.C.WANG,SOUTHEAST . 190 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9424.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 69.5 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 . 4 2.1 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 . 0 0.0 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 . 7 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 47.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 4.7 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 2 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A A > 0 0 102 0, 0.0 3,-1.9 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 136.7 19.7 11.2 25.7 2 3 A S G > + 0 0 46 1,-0.3 3,-1.1 2,-0.2 158,-0.0 0.799 360.0 69.5 -60.0 -28.7 16.4 12.9 25.4 3 4 A K G 3 S+ 0 0 24 1,-0.3 -1,-0.3 169,-0.0 169,-0.2 0.643 109.7 34.8 -64.1 -15.9 17.4 15.5 28.1 4 5 A Y G < S+ 0 0 125 -3,-1.9 2,-0.7 168,-0.0 -1,-0.3 0.299 94.6 102.9-116.4 1.4 19.9 17.0 25.5 5 6 A A < + 0 0 50 -3,-1.1 2,-0.4 -4,-0.4 -3,-0.0 -0.807 46.1 172.0 -93.8 110.8 17.9 16.4 22.4 6 7 A V - 0 0 30 -2,-0.7 -3,-0.0 93,-0.1 166,-0.0 -0.937 35.6-105.6-120.3 137.6 16.2 19.6 21.1 7 8 A K - 0 0 50 -2,-0.4 175,-0.1 1,-0.1 3,-0.0 -0.295 14.5-152.8 -54.9 137.6 14.3 20.2 17.8 8 9 A L S S+ 0 0 163 1,-0.1 2,-0.5 2,-0.0 -1,-0.1 0.662 77.7 71.0 -80.5 -17.0 16.1 22.1 15.0 9 10 A K - 0 0 135 171,-0.1 2,-0.1 2,-0.0 -2,-0.1 -0.877 66.6-154.9-114.4 128.1 12.8 23.3 13.6 10 11 A T - 0 0 49 -2,-0.5 170,-0.2 82,-0.0 3,-0.1 -0.346 8.7-149.6 -84.8 172.3 10.3 25.7 15.0 11 12 A D > + 0 0 74 168,-0.5 3,-1.7 -2,-0.1 6,-0.3 -0.358 34.7 152.5-142.0 54.4 6.6 25.8 14.2 12 13 A F T 3 S+ 0 0 24 1,-0.3 6,-0.1 5,-0.1 -1,-0.1 0.689 71.7 55.7 -63.1 -25.0 5.7 29.5 14.5 13 14 A D T 3 S+ 0 0 139 -3,-0.1 -1,-0.3 4,-0.1 -2,-0.0 0.468 81.0 108.0 -90.5 -2.8 2.8 29.3 12.1 14 15 A N S X> S- 0 0 38 -3,-1.7 4,-1.8 1,-0.1 3,-1.1 -0.651 70.4-139.6 -72.7 122.0 1.1 26.6 14.1 15 16 A P H 3> S+ 0 0 96 0, 0.0 4,-2.6 0, 0.0 -1,-0.1 0.769 101.2 61.4 -53.2 -28.1 -2.0 28.0 15.9 16 17 A R H 3> S+ 0 0 93 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.860 104.3 47.2 -69.2 -35.6 -1.1 26.0 19.0 17 18 A W H <> S+ 0 0 0 -3,-1.1 4,-1.5 -6,-0.3 -1,-0.2 0.927 114.1 47.5 -69.3 -44.6 2.2 27.8 19.4 18 19 A I H X S+ 0 0 55 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.912 111.4 51.0 -60.8 -44.3 0.5 31.2 18.9 19 20 A K H X S+ 0 0 105 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.836 103.5 57.6 -68.2 -36.5 -2.2 30.3 21.4 20 21 A R H X S+ 0 0 28 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.912 113.3 41.0 -54.6 -45.3 0.3 29.2 24.1 21 22 A H H X S+ 0 0 2 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.840 111.7 55.6 -73.7 -34.3 1.9 32.6 23.9 22 23 A K H X S+ 0 0 78 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.920 105.9 51.8 -60.9 -46.3 -1.5 34.4 23.7 23 24 A H H X S+ 0 0 121 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.905 113.5 45.4 -55.6 -46.7 -2.6 32.7 26.9 24 25 A M H X S+ 0 0 64 -4,-1.5 4,-3.0 2,-0.2 5,-0.2 0.911 108.5 54.8 -66.3 -43.0 0.6 34.0 28.6 25 26 A F H X S+ 0 0 5 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.943 112.8 43.4 -54.3 -51.5 0.3 37.6 27.2 26 27 A D H < S+ 0 0 82 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.838 113.8 51.0 -63.9 -39.6 -3.2 37.9 28.6 27 28 A F H < S+ 0 0 112 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.908 115.2 42.6 -60.5 -45.8 -2.2 36.3 31.9 28 29 A L H < S+ 0 0 4 -4,-3.0 2,-2.0 -5,-0.1 -2,-0.2 0.636 86.9 96.9 -78.9 -15.5 0.8 38.7 32.3 29 30 A D >< - 0 0 13 -4,-1.4 3,-1.1 -5,-0.2 5,-0.1 -0.537 55.3-179.0 -78.5 82.2 -1.1 41.8 31.1 30 31 A I T 3 S+ 0 0 90 -2,-2.0 -1,-0.2 1,-0.3 6,-0.1 0.890 75.5 39.8 -54.9 -51.2 -1.8 43.0 34.7 31 32 A N T 3 S- 0 0 101 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.432 103.2-130.1 -86.9 0.0 -3.8 46.2 33.9 32 33 A G < + 0 0 57 -3,-1.1 -2,-0.1 1,-0.1 4,-0.1 0.664 65.0 132.6 70.5 22.1 -5.7 44.5 31.0 33 34 A N S S- 0 0 72 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.328 77.6-109.2 -89.1 6.8 -5.1 47.2 28.4 34 35 A G S S+ 0 0 37 1,-0.2 50,-0.5 -5,-0.1 2,-0.4 0.683 90.2 98.2 71.6 16.1 -4.0 44.7 25.7 35 36 A K - 0 0 86 48,-0.2 2,-0.4 -10,-0.1 -2,-0.3 -0.992 61.6-146.2-130.8 145.7 -0.4 45.8 25.9 36 37 A I B -A 82 0A 0 46,-2.6 46,-2.0 -2,-0.4 2,-0.3 -0.873 11.7-168.8-111.0 138.2 2.5 44.1 27.8 37 38 A T > - 0 0 14 -2,-0.4 4,-2.2 44,-0.2 41,-0.2 -0.870 36.7-117.0-116.5 161.2 5.4 45.9 29.5 38 39 A L H > S+ 0 0 0 39,-1.5 4,-2.7 42,-0.3 5,-0.3 0.847 117.2 62.6 -62.9 -27.7 8.6 44.4 30.9 39 40 A D H > S+ 0 0 75 38,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.934 106.1 42.4 -59.8 -48.8 7.3 45.9 34.2 40 41 A E H > S+ 0 0 17 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.930 114.5 50.5 -65.3 -46.1 4.2 43.6 34.1 41 42 A I H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 5,-0.5 0.925 112.3 46.2 -56.8 -47.4 6.2 40.5 33.0 42 43 A V H X>S+ 0 0 5 -4,-2.7 5,-2.6 1,-0.2 4,-1.4 0.903 111.3 53.4 -69.0 -36.1 8.8 40.9 35.7 43 44 A S H <>S+ 0 0 36 -4,-2.1 5,-2.6 -5,-0.3 -1,-0.2 0.936 122.3 26.9 -60.6 -48.2 6.1 41.4 38.3 44 45 A K H <>S+ 0 0 53 -4,-2.3 5,-0.6 3,-0.2 -2,-0.2 0.926 128.5 39.3 -82.9 -46.5 4.1 38.2 37.4 45 46 A A H <5S+ 0 0 17 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.627 136.1 12.9 -83.1 -14.2 6.8 35.9 36.0 46 47 A S T X5S+ 0 0 0 -4,-1.4 4,-3.2 -5,-0.5 5,-0.4 0.666 125.0 44.0-124.1 -66.3 9.5 36.9 38.6 47 48 A D H >S+ 0 0 0 -4,-3.2 5,-2.4 1,-0.2 4,-0.4 0.899 113.2 49.4 -63.6 -37.3 10.1 34.0 43.5 51 52 A A H ><5S+ 0 0 74 -4,-2.0 3,-1.2 -5,-0.4 -1,-0.2 0.953 112.5 47.3 -65.1 -44.3 7.9 35.1 46.5 52 53 A K H 3<5S+ 0 0 97 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.804 112.2 49.8 -70.1 -28.8 5.6 32.0 46.1 53 54 A L T 3<5S- 0 0 0 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.432 112.1-121.9 -84.5 -3.6 8.7 29.6 45.8 54 55 A E T < 5 - 0 0 134 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.891 45.3-179.9 56.7 49.1 10.2 31.2 49.0 55 56 A A < - 0 0 19 -5,-2.4 -1,-0.1 -6,-0.1 65,-0.0 -0.365 27.9-115.2 -70.6 152.0 13.4 32.3 47.1 56 57 A T > - 0 0 69 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.398 33.6-101.5 -74.3 162.7 16.2 34.1 49.0 57 58 A P H > S+ 0 0 114 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.917 125.4 50.5 -48.7 -45.8 17.0 37.7 48.0 58 59 A E H > S+ 0 0 108 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.906 111.7 46.9 -61.9 -43.0 20.1 36.4 46.1 59 60 A Q H > S+ 0 0 28 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.848 113.0 49.9 -65.2 -35.1 18.0 33.7 44.2 60 61 A T H X S+ 0 0 37 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.921 110.2 49.3 -70.7 -46.3 15.3 36.4 43.4 61 62 A K H X S+ 0 0 133 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.917 114.0 47.3 -54.6 -45.8 17.9 38.9 42.1 62 63 A R H X S+ 0 0 114 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.939 112.4 47.0 -67.8 -45.9 19.4 36.1 39.9 63 64 A H H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.909 112.7 51.3 -60.4 -43.5 16.1 34.9 38.6 64 65 A Q H X S+ 0 0 58 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.911 107.5 52.0 -59.7 -43.7 15.0 38.6 37.8 65 66 A V H X S+ 0 0 84 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.948 111.2 48.3 -61.0 -44.6 18.3 39.2 35.9 66 67 A C H X S+ 0 0 23 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.904 112.5 47.5 -56.3 -47.0 17.6 36.1 33.8 67 68 A V H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.892 111.7 50.4 -66.7 -43.3 13.9 37.1 33.1 68 69 A E H X S+ 0 0 33 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.955 113.7 45.1 -57.5 -50.5 14.9 40.6 32.1 69 70 A A H X S+ 0 0 37 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.928 114.3 49.7 -58.8 -45.9 17.6 39.3 29.7 70 71 A F H < S+ 0 0 0 -4,-2.6 4,-0.2 -5,-0.2 -2,-0.2 0.944 115.1 41.3 -60.4 -51.1 15.2 36.7 28.3 71 72 A F H ><>S+ 0 0 8 -4,-2.9 5,-2.3 1,-0.2 3,-1.0 0.785 109.0 57.8 -74.3 -24.8 12.4 39.2 27.7 72 73 A R H ><5S+ 0 0 100 -4,-2.4 3,-2.0 -5,-0.3 -1,-0.2 0.845 99.3 62.1 -67.2 -32.4 14.6 42.0 26.4 73 74 A G T 3<5S+ 0 0 34 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.648 102.1 51.0 -62.5 -17.9 15.6 39.3 23.8 74 75 A C T < 5S- 0 0 3 -3,-1.0 16,-0.3 -4,-0.2 -1,-0.3 0.137 130.5 -97.7 -96.6 9.1 11.9 39.4 22.8 75 76 A G T < 5S+ 0 0 35 -3,-2.0 -3,-0.2 1,-0.2 2,-0.2 0.585 76.7 145.6 82.0 12.2 12.1 43.3 22.4 76 77 A M < + 0 0 5 -5,-2.3 2,-0.3 -8,-0.1 -1,-0.2 -0.489 19.6 171.8 -81.5 150.3 10.6 44.0 25.9 77 78 A E > - 0 0 66 3,-0.5 3,-1.9 -2,-0.2 -39,-1.5 -0.986 42.3 -87.0-153.1 152.0 11.7 47.0 28.0 78 79 A Y T 3 S+ 0 0 79 -2,-0.3 3,-0.1 1,-0.3 -41,-0.0 -0.400 116.1 7.8 -57.3 133.3 10.6 48.7 31.2 79 80 A G T 3 S+ 0 0 61 1,-0.2 2,-0.7 -2,-0.1 -1,-0.3 0.298 98.3 122.9 73.7 -6.6 7.9 51.3 30.3 80 81 A K < - 0 0 95 -3,-1.9 2,-0.5 2,-0.0 -3,-0.5 -0.786 52.9-149.4 -93.6 111.9 7.6 50.1 26.7 81 82 A E - 0 0 94 -2,-0.7 2,-0.4 -44,-0.1 -44,-0.2 -0.720 18.4-175.4 -86.4 124.4 4.0 49.0 25.8 82 83 A I B -A 36 0A 28 -46,-2.0 -46,-2.6 -2,-0.5 2,-0.1 -0.974 17.5-137.6-128.9 123.6 3.9 46.2 23.2 83 84 A A >> - 0 0 28 -2,-0.4 4,-2.0 -48,-0.2 3,-0.8 -0.421 34.6-100.1 -77.1 160.2 0.8 44.7 21.6 84 85 A F H 3> S+ 0 0 31 -50,-0.5 4,-2.8 1,-0.2 5,-0.2 0.794 116.7 56.9 -51.9 -43.2 0.6 40.9 21.1 85 86 A P H 3> S+ 0 0 76 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.898 113.5 41.7 -61.9 -35.4 1.5 40.7 17.4 86 87 A Q H <> S+ 0 0 104 -3,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.881 111.6 55.9 -76.1 -36.9 4.8 42.5 18.1 87 88 A F H X S+ 0 0 2 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.892 109.1 48.0 -52.7 -46.7 5.3 40.4 21.3 88 89 A L H X S+ 0 0 14 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.894 107.1 55.3 -67.4 -41.2 5.0 37.3 19.2 89 90 A D H X S+ 0 0 78 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.883 107.1 51.5 -55.0 -43.3 7.5 38.7 16.6 90 91 A G H X S+ 0 0 5 -4,-2.1 4,-2.6 -16,-0.3 -1,-0.2 0.902 108.9 49.9 -61.0 -45.4 10.0 39.1 19.5 91 92 A W H X S+ 0 0 11 -4,-1.9 4,-3.0 -17,-0.2 5,-0.3 0.882 108.2 54.2 -62.5 -39.5 9.4 35.5 20.6 92 93 A K H X S+ 0 0 53 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.939 111.6 44.0 -57.6 -46.4 10.0 34.3 17.0 93 94 A Q H X S+ 0 0 139 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.906 115.0 49.5 -65.3 -43.6 13.4 36.1 16.9 94 95 A L H X S+ 0 0 7 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.947 112.0 45.5 -59.8 -56.0 14.3 34.9 20.3 95 96 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 5,-0.2 0.901 114.0 50.0 -53.5 -48.3 13.5 31.2 19.7 96 97 A T H X S+ 0 0 52 -4,-2.0 4,-1.6 -5,-0.3 -1,-0.2 0.954 114.3 44.1 -58.3 -50.4 15.3 31.2 16.3 97 98 A S H X S+ 0 0 53 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.903 114.5 48.3 -61.2 -44.8 18.4 32.8 17.8 98 99 A E H X S+ 0 0 5 -4,-2.8 4,-3.1 2,-0.2 -1,-0.2 0.834 107.8 54.8 -67.3 -37.1 18.5 30.6 20.9 99 100 A L H X S+ 0 0 18 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.853 108.3 49.7 -65.9 -35.0 18.1 27.4 18.8 100 101 A K H X S+ 0 0 109 -4,-1.6 4,-1.6 -5,-0.2 -2,-0.2 0.911 111.3 49.0 -65.4 -43.9 21.1 28.5 16.7 101 102 A K H <>S+ 0 0 73 -4,-2.1 5,-2.7 2,-0.2 3,-0.4 0.950 110.4 51.2 -57.7 -48.2 23.1 29.0 20.0 102 103 A W H ><5S+ 0 0 71 -4,-3.1 3,-1.5 1,-0.2 -2,-0.2 0.917 110.8 47.7 -54.5 -48.4 21.9 25.6 21.2 103 104 A A H 3<5S+ 0 0 81 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.733 114.1 47.6 -69.9 -24.3 23.1 23.9 17.9 104 105 A R T 3<5S- 0 0 160 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.284 114.8-114.5 -95.9 8.1 26.5 25.7 18.1 105 106 A N T < 5 + 0 0 156 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.821 69.5 140.3 58.8 34.8 27.1 24.9 21.8 106 107 A E < - 0 0 89 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.782 61.4 -89.6 -99.2 151.1 26.8 28.6 22.9 107 108 A P - 0 0 102 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.264 41.1-147.9 -60.7 148.1 25.0 29.6 26.1 108 109 A T > - 0 0 8 1,-0.1 4,-1.3 -7,-0.1 5,-0.1 -0.898 18.5-133.9-118.1 145.4 21.2 30.3 25.9 109 110 A L H > S+ 0 0 46 -2,-0.3 4,-2.0 1,-0.2 -39,-0.2 0.828 107.3 58.3 -61.3 -35.1 19.1 32.7 28.0 110 111 A I H > S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.883 104.8 48.5 -67.8 -40.2 16.5 30.0 28.5 111 112 A R H > S+ 0 0 61 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.843 109.3 53.6 -65.5 -34.4 19.0 27.6 30.1 112 113 A E H X S+ 0 0 84 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.911 110.0 47.6 -65.7 -41.5 20.1 30.5 32.4 113 114 A W H X S+ 0 0 28 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.958 109.8 52.4 -62.6 -50.3 16.5 31.0 33.5 114 115 A G H X S+ 0 0 6 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.866 107.2 53.6 -50.5 -42.9 16.0 27.3 34.1 115 116 A D H X S+ 0 0 70 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.898 108.5 49.8 -57.9 -43.3 19.2 27.3 36.3 116 117 A A H X S+ 0 0 10 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.929 115.0 42.2 -67.2 -43.1 17.7 30.1 38.4 117 118 A V H X S+ 0 0 26 -4,-2.2 4,-2.0 2,-0.2 5,-0.2 0.920 113.9 52.0 -66.8 -46.6 14.3 28.3 38.9 118 119 A F H X S+ 0 0 15 -4,-2.9 4,-2.4 -5,-0.2 -2,-0.2 0.927 104.4 57.4 -56.8 -45.8 16.0 24.9 39.5 119 120 A D H < S+ 0 0 62 -4,-2.5 -1,-0.2 1,-0.2 6,-0.2 0.886 108.7 46.2 -54.5 -43.5 18.2 26.5 42.2 120 121 A I H < S+ 0 0 1 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.879 112.6 48.1 -64.0 -44.4 15.1 27.7 44.1 121 122 A F H < S+ 0 0 3 -4,-2.0 2,-2.0 1,-0.2 -2,-0.2 0.857 97.9 73.8 -65.6 -35.4 13.2 24.3 43.8 122 123 A D >< + 0 0 12 -4,-2.4 3,-1.5 -5,-0.2 -1,-0.2 -0.521 63.0 169.0 -81.5 74.0 16.3 22.4 45.0 123 124 A K T 3 S+ 0 0 86 -2,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.776 72.8 45.1 -66.5 -31.0 16.0 23.5 48.6 124 125 A D T 3 S- 0 0 112 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.428 107.0-120.7 -92.8 3.2 18.6 21.1 50.0 125 126 A G < + 0 0 59 -3,-1.5 -2,-0.1 -6,-0.2 -3,-0.0 0.852 64.9 143.3 62.7 33.2 21.1 21.7 47.2 126 127 A S - 0 0 57 2,-0.4 3,-0.1 1,-0.0 -1,-0.1 0.612 66.4-120.6 -78.1 -12.1 21.1 18.0 46.2 127 128 A G S S+ 0 0 48 1,-0.3 40,-0.4 -5,-0.1 2,-0.3 0.525 88.7 81.2 81.2 6.4 21.4 18.9 42.5 128 129 A T S S- 0 0 25 38,-0.1 2,-0.6 39,-0.1 -2,-0.4 -0.957 74.8-133.7-139.8 150.1 18.1 17.1 42.0 129 130 A I B -B 165 0B 0 36,-2.7 36,-2.9 -2,-0.3 2,-0.1 -0.952 26.3-158.7-108.0 113.5 14.4 17.9 42.4 130 131 A T > - 0 0 44 -2,-0.6 4,-2.0 34,-0.2 5,-0.2 -0.368 33.1-103.1 -80.5 164.9 12.6 15.2 44.2 131 132 A L H > S+ 0 0 54 32,-0.5 4,-3.0 1,-0.2 5,-0.2 0.855 122.2 53.7 -59.4 -35.5 8.8 14.7 44.0 132 133 A D H > S+ 0 0 105 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.885 108.2 49.0 -66.0 -42.1 8.3 16.3 47.5 133 134 A E H > S+ 0 0 15 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.855 115.5 45.5 -61.8 -36.0 10.3 19.4 46.5 134 135 A W H X S+ 0 0 9 -4,-2.0 4,-2.6 2,-0.2 3,-0.3 0.912 112.4 48.4 -76.3 -47.7 8.2 19.6 43.3 135 136 A K H X S+ 0 0 103 -4,-3.0 4,-0.5 1,-0.2 5,-0.3 0.828 102.5 65.2 -60.8 -37.0 4.8 19.0 45.0 136 137 A A H < S+ 0 0 53 -4,-2.0 4,-0.3 -5,-0.2 -1,-0.2 0.906 122.0 14.8 -52.3 -45.3 5.7 21.6 47.7 137 138 A Y H X S+ 0 0 32 -4,-0.9 4,-2.7 -3,-0.3 6,-0.4 0.581 100.8 93.3-113.6 -13.2 5.7 24.5 45.1 138 139 A G H X>S+ 0 0 0 -4,-2.6 6,-1.8 1,-0.2 5,-0.9 0.928 100.9 25.1 -42.9 -67.6 4.0 23.1 42.0 139 140 A K H ><5S+ 0 0 102 -4,-0.5 3,-0.5 5,-0.2 -1,-0.2 0.885 121.4 56.6 -70.2 -39.4 0.4 24.2 42.7 140 141 A I H 345S+ 0 0 109 -5,-0.3 -2,-0.2 -4,-0.3 -1,-0.2 0.912 108.1 45.8 -60.4 -47.0 1.4 27.2 45.0 141 142 A S H 3<5S- 0 0 3 -4,-2.7 -1,-0.2 -89,-0.1 -2,-0.2 0.608 116.0-111.9 -75.3 -16.9 3.6 28.9 42.5 142 143 A G T <<5S+ 0 0 46 -4,-0.6 -3,-0.2 -3,-0.5 -2,-0.1 0.413 87.5 112.6 100.6 -0.0 1.0 28.5 39.7 143 144 A I S S- 0 0 26 1,-0.1 4,-2.2 2,-0.0 5,-0.1 -0.940 74.3-129.0-156.5 160.2 -3.8 20.2 40.4 147 148 A Q H > S+ 0 0 141 -2,-0.3 4,-2.4 2,-0.2 5,-0.3 0.922 113.3 50.3 -64.3 -47.2 -2.2 17.4 42.4 148 149 A E H > S+ 0 0 155 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.944 114.3 44.4 -53.1 -52.9 -3.0 14.9 39.5 149 150 A D H > S+ 0 0 57 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.881 111.2 56.0 -60.1 -40.4 -1.3 17.3 37.0 150 151 A C H X S+ 0 0 5 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.885 112.0 39.3 -60.1 -49.0 1.6 17.9 39.4 151 152 A E H X S+ 0 0 68 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.872 116.4 52.4 -72.1 -36.9 2.6 14.2 39.8 152 153 A A H X S+ 0 0 38 -4,-2.2 4,-2.1 -5,-0.3 3,-0.4 0.965 110.0 47.5 -58.9 -56.6 1.9 13.5 36.1 153 154 A T H X S+ 0 0 1 -4,-3.1 4,-1.5 1,-0.2 -1,-0.2 0.769 108.1 56.6 -58.0 -33.1 4.2 16.5 35.0 154 155 A F H X S+ 0 0 12 -4,-1.3 4,-1.3 2,-0.2 -1,-0.2 0.910 110.1 43.5 -62.1 -47.4 6.9 15.3 37.3 155 156 A R H < S+ 0 0 158 -4,-1.7 -2,-0.2 -3,-0.4 6,-0.2 0.841 113.1 54.4 -62.8 -36.8 6.9 11.8 35.7 156 157 A H H < S+ 0 0 57 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.773 111.7 42.9 -69.0 -31.5 6.8 13.6 32.3 157 158 A C H < S+ 0 0 0 -4,-1.5 2,-1.9 -5,-0.2 9,-0.2 0.669 91.7 86.4 -87.3 -23.1 9.9 15.7 33.1 158 159 A D >< + 0 0 10 -4,-1.3 3,-1.2 1,-0.2 -1,-0.1 -0.599 58.3 170.8 -81.3 81.9 11.8 12.8 34.6 159 160 A L T 3 S+ 0 0 35 -2,-1.9 -1,-0.2 1,-0.3 -157,-0.1 0.809 72.5 44.1 -70.1 -34.9 13.1 11.8 31.2 160 161 A D T 3 S- 0 0 80 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.175 107.1-123.6 -96.2 14.9 15.6 9.2 32.4 161 162 A N < + 0 0 131 -3,-1.2 -2,-0.1 -6,-0.2 4,-0.1 0.753 64.9 141.1 44.6 39.6 13.1 7.7 34.9 162 163 A S S S- 0 0 61 2,-0.4 -1,-0.1 1,-0.0 3,-0.1 0.467 71.6-113.6 -81.4 -6.5 15.5 8.2 37.8 163 164 A G S S+ 0 0 47 1,-0.2 -32,-0.5 -5,-0.1 2,-0.3 0.430 91.8 66.6 82.8 0.5 12.6 9.3 40.1 164 165 A D S S- 0 0 48 -34,-0.1 2,-0.4 -33,-0.1 -2,-0.4 -0.962 80.5-112.0-147.9 163.1 14.0 12.9 40.4 165 166 A L B -B 129 0B 0 -36,-2.9 -36,-2.7 -2,-0.3 2,-0.2 -0.810 21.6-162.0-104.1 133.8 14.5 15.9 38.1 166 167 A D > - 0 0 36 -2,-0.4 4,-2.2 -9,-0.2 5,-0.2 -0.689 36.2-105.8-102.2 166.2 17.8 17.3 37.0 167 168 A V H > S+ 0 0 23 -40,-0.4 4,-2.4 -2,-0.2 5,-0.2 0.851 119.4 53.4 -59.4 -34.0 18.4 20.8 35.6 168 169 A D H > S+ 0 0 40 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.921 108.2 49.1 -69.6 -42.7 18.8 19.4 32.0 169 170 A E H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.975 115.0 44.8 -57.4 -51.8 15.5 17.5 32.1 170 171 A M H X S+ 0 0 17 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.926 115.3 46.2 -58.7 -50.0 13.6 20.6 33.3 171 172 A T H X S+ 0 0 9 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.861 110.0 52.9 -61.7 -39.4 15.2 23.1 30.9 172 173 A R H X S+ 0 0 4 -4,-2.1 4,-2.9 -5,-0.2 -1,-0.2 0.930 111.7 46.2 -68.9 -40.3 14.8 20.9 27.9 173 174 A Q H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.898 112.7 50.3 -66.0 -43.4 11.1 20.4 28.6 174 175 A H H X S+ 0 0 29 -4,-2.3 4,-1.9 2,-0.2 5,-0.3 0.924 113.5 45.9 -57.4 -45.9 10.7 24.2 29.2 175 176 A L H X>S+ 0 0 5 -4,-3.0 4,-2.6 1,-0.2 5,-1.1 0.936 111.6 51.9 -66.8 -45.2 12.5 24.9 25.9 176 177 A G H <>S+ 0 0 1 -4,-2.9 6,-2.4 -5,-0.2 5,-0.6 0.860 111.3 47.9 -56.3 -39.0 10.3 22.3 24.1 177 178 A F H <5S+ 0 0 23 -4,-2.0 -1,-0.2 4,-0.2 -2,-0.2 0.906 124.3 26.5 -69.8 -42.4 7.1 23.8 25.4 178 179 A W H <5S+ 0 0 22 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.2 0.789 129.3 31.3 -98.6 -32.8 7.8 27.5 24.6 179 180 A Y T <5S+ 0 0 1 -4,-2.6 -168,-0.5 -5,-0.3 -3,-0.2 0.882 129.7 17.6 -90.0 -50.8 10.3 27.5 21.6 180 181 A T T - 0 0 4 -6,-2.4 3,-2.3 1,-0.1 4,-0.3 -0.524 24.1-142.6 -72.8 123.0 7.9 19.8 20.9 183 184 A P G > S+ 0 0 92 0, 0.0 3,-1.1 0, 0.0 4,-0.2 0.791 100.8 64.4 -60.4 -27.1 5.3 17.0 21.5 184 185 A E G 3 S+ 0 0 106 1,-0.2 3,-0.2 2,-0.1 -7,-0.1 0.646 103.5 48.5 -67.7 -16.2 7.7 15.4 24.1 185 186 A A G X S+ 0 0 0 -3,-2.3 3,-1.9 -9,-0.2 -1,-0.2 0.380 78.1 109.6-100.0 0.9 7.1 18.6 26.2 186 187 A D T < S+ 0 0 63 -3,-1.1 3,-0.3 -4,-0.3 -1,-0.1 0.727 75.6 49.6 -53.7 -29.6 3.3 18.7 25.9 187 188 A G T > S+ 0 0 25 -3,-0.2 3,-2.0 -4,-0.2 -1,-0.3 0.326 74.4 111.8 -91.0 10.3 2.5 17.8 29.5 188 189 A L T < S+ 0 0 8 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.789 89.8 27.6 -59.1 -35.1 4.8 20.4 31.2 189 190 A Y T 3 0 0 75 -3,-0.3 -1,-0.3 -44,-0.0 -2,-0.1 -0.012 360.0 360.0-114.7 24.6 2.0 22.5 32.7 190 191 A G < 0 0 57 -3,-2.0 -2,-0.1 -41,-0.2 -3,-0.1 0.411 360.0 360.0 78.9 360.0 -0.6 19.7 33.0