==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LUMINESCENT PROTEIN 13-MAR-00 1EL4 . COMPND 2 MOLECULE: OBELIN; . SOURCE 2 ORGANISM_SCIENTIFIC: OBELIA LONGISSIMA; . AUTHOR Z.J.LIU,E.S.VYSOTSKI,J.ROSE,J.LEE,B.C.WANG . 194 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10318.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 70.1 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 . 6 3.1 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 . 1 0.5 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 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 46.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 5.7 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 1 0 0 0 0 1 1 1 2 0 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 . 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 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 2 A S 0 0 182 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 166.1 44.5 -12.2 45.3 2 3 A S - 0 0 116 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.967 360.0-101.2-155.7 164.6 44.7 -9.0 47.3 3 4 A K - 0 0 210 -2,-0.3 2,-0.4 2,-0.0 0, 0.0 -0.745 30.0-170.6 -96.8 142.3 42.8 -5.7 47.7 4 5 A Y - 0 0 198 -2,-0.3 2,-0.5 2,-0.0 -2,-0.0 -0.996 18.7-132.5-134.8 129.1 44.0 -2.4 46.2 5 6 A A - 0 0 92 -2,-0.4 2,-0.4 2,-0.0 -2,-0.0 -0.689 22.9-171.4 -85.5 124.7 42.7 1.1 46.9 6 7 A V - 0 0 83 -2,-0.5 2,-0.6 2,-0.0 97,-0.0 -0.912 23.6-122.8-114.9 141.0 42.0 3.2 43.8 7 8 A K - 0 0 147 -2,-0.4 2,-1.0 2,-0.0 -2,-0.0 -0.737 14.4-144.8 -86.6 118.3 41.1 6.9 44.0 8 9 A L - 0 0 59 -2,-0.6 2,-1.0 1,-0.0 92,-0.1 -0.761 22.1-140.7 -81.4 107.4 37.7 7.6 42.3 9 10 A K + 0 0 82 -2,-1.0 2,-0.3 90,-0.1 173,-0.1 -0.620 42.1 146.5 -76.6 100.6 38.6 11.0 40.9 10 11 A T + 0 0 45 -2,-1.0 170,-0.2 171,-0.1 3,-0.0 -0.945 29.5 178.7-132.8 154.2 35.5 13.2 41.3 11 12 A D > + 0 0 57 168,-0.4 3,-1.7 -2,-0.3 6,-0.3 -0.352 19.3 158.4-152.1 58.0 35.1 16.9 42.0 12 13 A F T 3 S+ 0 0 31 1,-0.3 6,-0.1 5,-0.1 80,-0.1 0.689 72.1 54.2 -59.7 -25.9 31.3 17.3 42.1 13 14 A D T 3 S+ 0 0 130 4,-0.1 -1,-0.3 -3,-0.0 3,-0.0 0.419 82.4 107.3 -92.1 1.6 31.3 20.5 44.1 14 15 A N S X> S- 0 0 32 -3,-1.7 4,-2.2 1,-0.1 3,-1.2 -0.666 70.4-137.9 -81.5 128.0 33.7 22.3 41.7 15 16 A P H 3> S+ 0 0 82 0, 0.0 4,-3.4 0, 0.0 5,-0.3 0.828 101.9 63.2 -54.2 -32.3 31.9 25.0 39.7 16 17 A R H 3> S+ 0 0 128 2,-0.2 4,-1.0 1,-0.2 165,-0.1 0.858 108.1 40.9 -62.8 -34.4 33.8 23.9 36.6 17 18 A W H <> S+ 0 0 0 -3,-1.2 4,-1.7 -6,-0.3 -1,-0.2 0.912 116.0 49.9 -77.6 -44.7 32.1 20.5 36.7 18 19 A I H X S+ 0 0 47 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.914 111.9 48.1 -58.3 -45.5 28.7 21.9 37.7 19 20 A K H X S+ 0 0 136 -4,-3.4 4,-2.3 2,-0.2 -1,-0.2 0.800 104.5 60.6 -66.9 -31.2 28.9 24.4 34.8 20 21 A R H X S+ 0 0 3 -4,-1.0 4,-1.4 -5,-0.3 -1,-0.2 0.940 112.7 37.2 -62.3 -46.6 29.9 21.7 32.3 21 22 A H H X S+ 0 0 1 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.814 112.5 57.5 -76.4 -29.3 26.7 19.8 33.0 22 23 A K H X S+ 0 0 73 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.901 105.5 52.8 -66.5 -38.0 24.6 23.0 33.3 23 24 A H H X S+ 0 0 72 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.927 112.6 43.5 -60.7 -45.2 25.7 23.9 29.8 24 25 A M H X S+ 0 0 25 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.887 111.2 54.3 -69.6 -38.0 24.6 20.5 28.5 25 26 A F H X S+ 0 0 3 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.946 110.3 46.1 -60.4 -47.9 21.3 20.7 30.5 26 27 A D H < S+ 0 0 78 -4,-2.6 -1,-0.2 1,-0.2 6,-0.2 0.867 109.3 56.5 -62.0 -35.2 20.5 24.0 28.9 27 28 A F H < S+ 0 0 55 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.881 112.4 40.9 -63.2 -38.9 21.5 22.6 25.5 28 29 A L H < S+ 0 0 26 -4,-2.1 2,-2.1 1,-0.2 -1,-0.2 0.754 97.5 81.9 -79.7 -26.3 18.9 19.8 26.0 29 30 A D >< + 0 0 12 -4,-2.1 3,-1.5 -5,-0.2 -1,-0.2 -0.497 60.5 172.7 -81.1 71.6 16.3 22.2 27.5 30 31 A I T 3 S+ 0 0 145 -2,-2.1 -1,-0.2 1,-0.3 6,-0.1 0.842 74.4 40.6 -49.9 -47.5 15.1 23.4 24.0 31 32 A N T 3 S- 0 0 106 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.433 104.5-128.8 -86.8 2.2 12.2 25.5 25.2 32 33 A G < + 0 0 56 -3,-1.5 -2,-0.1 -6,-0.2 -3,-0.1 0.774 66.8 131.0 58.9 33.0 14.1 26.8 28.2 33 34 A N S S- 0 0 75 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.309 79.0-109.3 -96.8 9.8 11.6 26.1 30.9 34 35 A G S S+ 0 0 31 1,-0.2 50,-0.5 -5,-0.2 2,-0.4 0.622 86.7 96.1 76.6 14.3 14.2 24.4 33.1 35 36 A K E +A 83 0A 79 48,-0.2 -2,-0.3 49,-0.1 2,-0.3 -0.997 42.7 175.5-139.9 141.3 12.9 20.9 32.6 36 37 A I E -A 82 0A 1 46,-2.0 46,-2.5 -2,-0.4 2,-0.3 -0.907 13.5-149.1-135.8 164.2 13.8 17.9 30.3 37 38 A T > - 0 0 14 -2,-0.3 4,-1.9 44,-0.2 3,-0.2 -0.929 29.3-118.5-134.4 159.8 12.6 14.3 30.1 38 39 A L H > S+ 0 0 0 39,-0.6 4,-2.9 42,-0.4 5,-0.3 0.859 116.1 62.3 -62.4 -32.7 14.0 11.0 29.0 39 40 A D H > S+ 0 0 70 38,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.917 105.0 44.6 -58.0 -45.3 11.4 11.0 26.3 40 41 A E H > S+ 0 0 90 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.882 112.7 51.5 -67.3 -39.8 12.9 14.2 24.8 41 42 A I H X S+ 0 0 9 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.917 112.2 45.7 -64.2 -43.8 16.4 12.8 25.0 42 43 A V H X S+ 0 0 10 -4,-2.9 4,-3.2 2,-0.2 5,-0.4 0.869 110.9 52.8 -68.5 -35.9 15.5 9.6 23.3 43 44 A S H X>S+ 0 0 51 -4,-2.0 5,-1.3 -5,-0.3 4,-1.2 0.911 109.2 50.4 -65.1 -39.5 13.6 11.4 20.6 44 45 A K H <>S+ 0 0 46 -4,-2.2 5,-2.9 3,-0.2 4,-0.3 0.916 115.0 43.9 -62.4 -43.2 16.7 13.5 20.0 45 46 A A H <>S+ 0 0 6 -4,-2.1 5,-2.3 3,-0.2 -2,-0.2 0.931 128.9 22.6 -68.8 -46.9 18.8 10.4 19.8 46 47 A S H <>S+ 0 0 11 -4,-3.2 5,-0.7 3,-0.2 -3,-0.2 0.937 128.9 36.0 -89.5 -53.1 16.4 8.3 17.6 47 48 A D T <5S+ 0 0 117 -4,-1.2 -3,-0.2 -5,-0.4 -4,-0.1 0.723 132.2 24.6 -76.4 -21.9 14.1 10.6 15.6 48 49 A D T >4 - 0 0 63 1,-0.1 4,-2.7 64,-0.0 5,-0.2 -0.361 32.9-106.6 -73.5 158.9 20.0 1.5 10.0 57 58 A P H > S+ 0 0 116 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.905 122.9 47.0 -51.8 -42.6 16.9 0.6 11.9 58 59 A E H > S+ 0 0 84 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.889 110.5 50.3 -68.6 -40.1 19.0 -1.9 14.0 59 60 A Q H > S+ 0 0 43 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.881 111.6 50.2 -65.1 -36.3 21.8 0.6 14.6 60 61 A T H X S+ 0 0 28 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.914 110.5 49.6 -66.5 -42.9 19.1 3.1 15.7 61 62 A K H X S+ 0 0 113 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.914 112.8 45.8 -62.3 -45.4 17.6 0.5 18.0 62 63 A R H X S+ 0 0 117 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.908 112.4 51.3 -65.0 -43.0 20.9 -0.4 19.6 63 64 A H H X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.912 108.5 52.0 -60.5 -43.1 21.8 3.3 20.0 64 65 A Q H X S+ 0 0 62 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.918 106.1 53.8 -61.3 -43.4 18.5 4.0 21.7 65 66 A V H X S+ 0 0 78 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.899 110.9 47.1 -57.8 -40.4 19.1 1.1 24.2 66 67 A C H X S+ 0 0 25 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.881 112.6 48.0 -69.6 -39.3 22.4 2.7 25.1 67 68 A V H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.918 111.5 51.1 -67.2 -43.7 21.0 6.2 25.5 68 69 A E H X S+ 0 0 31 -4,-3.0 4,-1.8 1,-0.2 5,-0.2 0.942 113.1 45.3 -58.3 -48.2 18.2 4.9 27.6 69 70 A A H X S+ 0 0 39 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.2 0.915 112.4 52.2 -62.1 -44.1 20.6 3.0 29.9 70 71 A F H < S+ 0 0 1 -4,-2.4 4,-0.3 1,-0.2 3,-0.3 0.953 115.8 37.3 -59.2 -54.0 22.9 6.0 30.2 71 72 A F H ><>S+ 0 0 16 -4,-2.6 5,-2.1 1,-0.2 3,-0.6 0.720 110.6 59.0 -76.3 -18.7 20.4 8.6 31.2 72 73 A R H ><5S+ 0 0 98 -4,-1.8 3,-1.8 -5,-0.3 -1,-0.2 0.785 98.0 63.9 -74.0 -24.4 18.4 6.1 33.4 73 74 A G T 3<5S+ 0 0 21 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.715 98.8 53.4 -67.3 -19.7 21.8 5.9 35.1 74 75 A C T < 5S- 0 0 2 -3,-0.6 -1,-0.3 -4,-0.3 16,-0.2 0.247 129.2 -99.7 -95.7 7.5 21.2 9.6 35.9 75 76 A G T < 5S+ 0 0 31 -3,-1.8 2,-0.4 1,-0.3 -3,-0.2 0.572 76.6 142.1 86.1 10.2 17.9 8.8 37.4 76 77 A M < + 0 0 0 -5,-2.1 2,-0.3 -8,-0.1 -1,-0.3 -0.706 23.5 178.6 -90.0 135.6 15.8 9.8 34.4 77 78 A E > - 0 0 82 -2,-0.4 3,-1.7 3,-0.2 -39,-0.6 -0.944 38.3 -82.4-133.1 153.2 12.7 7.8 33.5 78 79 A Y T 3 S+ 0 0 81 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 -0.227 111.1 17.1 -55.8 139.4 10.1 8.1 30.8 79 80 A G T 3 S+ 0 0 64 1,-0.2 2,-0.5 0, 0.0 -1,-0.2 0.456 98.0 112.2 79.6 2.4 7.3 10.5 31.5 80 81 A K < - 0 0 135 -3,-1.7 -42,-0.4 2,-0.0 -3,-0.2 -0.931 61.0-137.4-117.0 121.9 9.0 12.4 34.3 81 82 A E - 0 0 112 -2,-0.5 2,-0.4 -44,-0.1 -44,-0.2 -0.494 20.7-158.4 -71.7 140.5 10.2 16.0 34.1 82 83 A I E -A 36 0A 4 -46,-2.5 -46,-2.0 -2,-0.2 2,-0.2 -0.986 3.6-157.2-126.6 127.9 13.7 16.6 35.5 83 84 A A E > -A 35 0A 43 -2,-0.4 4,-2.1 -48,-0.2 3,-0.4 -0.551 37.4 -96.4 -96.1 167.2 15.1 19.9 36.7 84 85 A F H > S+ 0 0 29 -50,-0.5 4,-3.2 1,-0.2 5,-0.3 0.862 116.9 56.6 -55.0 -46.0 18.8 20.7 36.9 85 86 A P H > S+ 0 0 90 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.921 113.7 41.1 -54.2 -43.5 19.4 20.0 40.6 86 87 A Q H > S+ 0 0 98 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.890 113.5 54.4 -69.0 -40.4 18.1 16.4 40.3 87 88 A F H X S+ 0 0 3 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.934 110.2 46.4 -58.1 -48.0 19.9 16.0 36.9 88 89 A L H X S+ 0 0 16 -4,-3.2 4,-1.7 1,-0.2 -1,-0.2 0.916 110.5 52.0 -62.9 -43.8 23.2 17.0 38.6 89 90 A D H X S+ 0 0 91 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.883 108.4 53.1 -59.5 -37.6 22.5 14.7 41.5 90 91 A G H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.864 105.6 53.1 -65.7 -36.8 21.9 11.9 39.0 91 92 A W H X S+ 0 0 13 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.826 103.9 56.6 -68.4 -30.9 25.2 12.6 37.3 92 93 A K H X S+ 0 0 55 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.926 110.9 43.7 -65.3 -42.3 27.0 12.3 40.6 93 94 A Q H X S+ 0 0 106 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.905 115.0 48.6 -69.6 -40.4 25.6 8.8 41.0 94 95 A L H X S+ 0 0 2 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.949 111.7 49.3 -63.1 -49.3 26.3 7.9 37.4 95 96 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.891 111.8 49.1 -57.7 -41.8 29.9 9.1 37.6 96 97 A T H X S+ 0 0 41 -4,-1.9 4,-1.3 -5,-0.2 -1,-0.2 0.929 113.8 45.2 -65.6 -43.9 30.5 7.2 40.8 97 98 A S H X S+ 0 0 52 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.909 115.1 48.3 -64.9 -43.6 29.0 4.0 39.3 98 99 A E H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.899 108.5 52.9 -63.8 -44.1 31.0 4.4 36.1 99 100 A L H X S+ 0 0 8 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.789 108.2 51.7 -65.2 -27.7 34.3 5.1 37.8 100 101 A K H X S+ 0 0 100 -4,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.905 110.8 46.5 -74.8 -40.8 33.9 1.9 39.9 101 102 A K H <>S+ 0 0 46 -4,-1.9 5,-2.7 1,-0.2 -2,-0.2 0.914 111.7 54.2 -63.5 -40.4 33.3 -0.1 36.7 102 103 A W H ><5S+ 0 0 100 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.914 108.1 47.5 -57.5 -47.4 36.3 1.7 35.2 103 104 A A H 3<5S+ 0 0 41 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.787 114.0 47.6 -66.6 -29.4 38.5 0.7 38.1 104 105 A R T 3<5S- 0 0 128 -4,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.347 112.8-122.5 -91.8 3.9 37.3 -2.9 37.9 105 106 A N T < 5 + 0 0 150 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.1 0.917 63.6 142.1 51.8 48.9 37.9 -2.8 34.1 106 107 A E < - 0 0 87 -5,-2.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.900 63.9 -87.3-113.0 143.5 34.3 -3.7 33.3 107 108 A P - 0 0 86 0, 0.0 2,-0.1 0, 0.0 -5,-0.1 -0.282 46.1-140.0 -56.4 133.3 32.7 -2.0 30.3 108 109 A T > - 0 0 1 1,-0.1 4,-2.2 -7,-0.1 5,-0.1 -0.458 19.3-115.2 -90.8 165.4 31.1 1.4 31.2 109 110 A L H > S+ 0 0 28 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.809 118.6 53.3 -68.9 -29.7 27.8 2.8 30.0 110 111 A I H > S+ 0 0 5 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.872 108.1 49.9 -73.5 -35.6 29.7 5.6 28.2 111 112 A R H > S+ 0 0 71 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.933 112.2 48.1 -66.0 -43.5 31.9 3.0 26.4 112 113 A E H X S+ 0 0 81 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.871 110.8 49.4 -66.4 -35.3 28.8 1.1 25.3 113 114 A W H X S+ 0 0 49 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.930 111.0 52.8 -66.7 -42.3 27.1 4.3 24.1 114 115 A G H X S+ 0 0 14 -4,-2.3 4,-3.1 1,-0.2 5,-0.3 0.909 103.7 55.1 -58.0 -43.9 30.3 5.0 22.3 115 116 A D H X S+ 0 0 54 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.912 108.6 49.6 -56.2 -42.2 30.3 1.6 20.7 116 117 A A H X S+ 0 0 7 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.853 113.1 45.1 -66.2 -37.4 26.8 2.4 19.3 117 118 A V H >X S+ 0 0 12 -4,-1.9 4,-0.9 2,-0.2 3,-0.6 0.947 114.3 47.6 -71.6 -49.5 27.8 5.8 17.9 118 119 A F H >< S+ 0 0 12 -4,-3.1 3,-0.7 1,-0.2 4,-0.4 0.873 105.3 61.4 -59.1 -37.2 31.0 4.4 16.4 119 120 A D H >< S+ 0 0 61 -4,-2.3 3,-1.1 -5,-0.3 -1,-0.2 0.874 98.3 57.1 -56.4 -39.3 29.1 1.5 14.9 120 121 A I H << S+ 0 0 18 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.835 113.4 39.1 -61.8 -32.7 27.0 4.0 12.9 121 122 A F T << S+ 0 0 10 -4,-0.9 2,-1.7 -3,-0.7 3,-0.3 0.325 86.0 110.0 -99.4 7.3 30.1 5.4 11.3 122 123 A D < + 0 0 42 -3,-1.1 3,-0.2 -4,-0.4 -1,-0.1 -0.465 31.1 154.3 -84.6 68.8 31.8 2.0 10.9 123 124 A K S S+ 0 0 142 -2,-1.7 -1,-0.2 1,-0.2 -4,-0.0 0.888 78.3 29.4 -63.1 -42.5 31.7 1.7 7.1 124 125 A D S S- 0 0 124 -3,-0.3 -1,-0.2 4,-0.2 -2,-0.1 0.402 108.3-114.5-100.4 1.5 34.7 -0.7 6.7 125 126 A G S S+ 0 0 57 -3,-0.2 -3,-0.1 -6,-0.1 -2,-0.1 0.527 84.3 117.7 80.5 4.8 34.4 -2.4 10.1 126 127 A S S S- 0 0 68 2,-0.1 -1,-0.1 1,-0.0 -4,-0.1 0.579 76.4-129.2 -79.8 -10.2 37.7 -1.0 11.4 127 128 A G + 0 0 20 1,-0.2 40,-0.7 -9,-0.1 2,-0.3 0.823 61.2 127.8 68.3 34.5 35.8 0.8 14.2 128 129 A T E -B 166 0B 23 38,-0.1 2,-0.4 -7,-0.1 -1,-0.2 -0.885 49.0-142.9-122.7 154.3 37.2 4.2 13.7 129 130 A I E -B 165 0B 0 36,-2.7 36,-2.5 -2,-0.3 2,-0.2 -0.952 16.9-143.8-115.2 135.1 35.7 7.6 13.2 130 131 A T > - 0 0 41 -2,-0.4 4,-2.4 34,-0.2 5,-0.2 -0.496 28.5-106.7 -90.9 165.7 37.2 10.2 10.8 131 132 A L H > S+ 0 0 50 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.886 121.9 52.0 -59.2 -40.0 37.3 13.9 11.4 132 133 A D H > S+ 0 0 118 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.853 108.7 50.1 -66.7 -33.5 34.7 14.4 8.8 133 134 A E H > S+ 0 0 31 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.914 111.5 48.3 -71.1 -39.9 32.4 11.9 10.4 134 135 A W H X S+ 0 0 8 -4,-2.4 4,-3.3 1,-0.2 5,-0.2 0.902 107.8 55.1 -65.7 -39.6 32.8 13.6 13.8 135 136 A K H X S+ 0 0 30 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.886 107.3 51.0 -59.8 -37.4 32.1 16.9 12.2 136 137 A A H X S+ 0 0 38 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.921 112.7 45.3 -66.0 -43.5 28.8 15.5 10.9 137 138 A Y H X>S+ 0 0 23 -4,-2.0 4,-3.3 1,-0.2 5,-0.5 0.936 110.6 53.3 -65.2 -46.9 27.9 14.2 14.4 138 139 A G H X5S+ 0 0 0 -4,-3.3 6,-1.5 1,-0.2 4,-0.8 0.860 114.2 42.7 -56.4 -37.7 28.9 17.4 16.1 139 140 A K H <5S+ 0 0 159 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.919 118.0 43.5 -76.0 -45.6 26.6 19.4 13.7 140 141 A I H <5S+ 0 0 43 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.905 120.1 40.2 -69.0 -42.5 23.7 17.0 13.8 141 142 A S H <5S- 0 0 4 -4,-3.3 -1,-0.2 -5,-0.2 -3,-0.2 0.766 102.0-138.1 -76.3 -24.1 23.7 16.4 17.5 142 143 A G S < - 0 0 44 1,-0.2 4,-2.0 -8,-0.1 5,-0.2 -0.476 66.2-150.1 -68.4 123.2 31.9 24.3 14.8 147 148 A Q H > S+ 0 0 125 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.874 99.5 54.8 -59.0 -37.4 34.3 22.7 12.5 148 149 A E H > S+ 0 0 151 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.883 107.1 49.3 -65.2 -37.4 37.2 24.3 14.4 149 150 A D H > S+ 0 0 21 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.860 110.0 51.7 -70.1 -33.2 35.9 22.8 17.7 150 151 A C H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.873 109.8 48.8 -69.6 -35.7 35.7 19.4 16.0 151 152 A E H X S+ 0 0 74 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.861 106.6 57.4 -70.4 -32.5 39.2 19.7 14.8 152 153 A A H X S+ 0 0 18 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.877 102.7 55.5 -63.6 -37.1 40.2 20.7 18.4 153 154 A T H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.945 111.7 41.4 -60.7 -49.0 38.7 17.4 19.5 154 155 A F H < S+ 0 0 11 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.870 114.1 52.2 -68.5 -35.4 40.9 15.3 17.2 155 156 A R H < S+ 0 0 182 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.893 110.5 50.0 -65.8 -39.0 44.0 17.5 17.9 156 157 A H H < S+ 0 0 52 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.901 104.0 70.3 -65.9 -43.1 43.4 17.0 21.7 157 158 A C S < S- 0 0 6 -4,-2.0 2,-0.8 -5,-0.2 13,-0.0 -0.234 88.9-112.3 -75.8 163.5 43.1 13.2 21.4 158 159 A D - 0 0 119 11,-0.0 2,-0.1 -2,-0.0 11,-0.1 -0.889 42.7-155.8 -96.4 111.2 45.8 10.7 20.6 159 160 A L - 0 0 63 -2,-0.8 6,-0.2 -5,-0.2 -5,-0.0 -0.390 16.1-102.0 -87.3 164.0 44.9 9.3 17.2 160 161 A D > - 0 0 50 4,-2.5 3,-1.6 -2,-0.1 -1,-0.2 -0.064 53.3 -80.4 -72.6-176.6 45.8 6.0 15.6 161 162 A N T 3 S+ 0 0 183 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.532 130.1 52.9 -66.8 -4.0 48.5 5.8 13.0 162 163 A S T 3 S- 0 0 86 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.427 117.6-104.4-109.8 -1.0 46.1 7.0 10.3 163 164 A G S < S+ 0 0 35 -3,-1.6 -32,-0.2 1,-0.3 2,-0.2 0.578 82.5 121.4 89.4 9.2 44.9 10.2 12.0 164 165 A D - 0 0 34 -34,-0.1 -4,-2.5 -33,-0.0 2,-0.4 -0.591 60.2-117.8-101.9 167.2 41.5 8.7 12.9 165 166 A L E -B 129 0B 1 -36,-2.5 -36,-2.7 -6,-0.2 2,-0.3 -0.855 21.6-157.7-108.1 139.1 39.9 8.3 16.4 166 167 A D E > -B 128 0B 42 -2,-0.4 4,-2.1 -38,-0.2 3,-0.4 -0.777 28.7-113.7-112.2 160.9 39.0 5.0 18.0 167 168 A V H > S+ 0 0 13 -40,-0.7 4,-2.7 -2,-0.3 5,-0.2 0.797 111.0 62.8 -62.4 -32.1 36.5 4.3 20.8 168 169 A D H > S+ 0 0 86 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.936 109.8 40.6 -60.6 -44.5 39.1 3.2 23.3 169 170 A E H > S+ 0 0 14 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.937 115.4 49.7 -69.1 -47.6 40.6 6.7 23.2 170 171 A M H X S+ 0 0 6 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.875 107.9 54.8 -61.7 -36.1 37.3 8.6 23.1 171 172 A T H X S+ 0 0 7 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.932 108.0 48.6 -63.2 -45.1 36.0 6.6 26.1 172 173 A R H X S+ 0 0 123 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.908 114.2 47.0 -60.5 -41.9 39.0 7.6 28.2 173 174 A Q H X S+ 0 0 17 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.926 112.1 49.2 -65.5 -46.6 38.6 11.2 27.2 174 175 A H H X>S+ 0 0 23 -4,-3.0 4,-3.1 2,-0.2 5,-0.5 0.852 108.4 54.0 -62.5 -36.5 34.8 11.3 27.9 175 176 A L H X>S+ 0 0 11 -4,-2.3 4,-1.9 -5,-0.2 5,-1.5 0.942 112.8 42.7 -64.4 -46.1 35.3 9.7 31.3 176 177 A G H <>S+ 0 0 3 -4,-1.9 6,-2.0 3,-0.2 5,-0.9 0.848 119.2 45.8 -68.6 -32.2 37.7 12.4 32.3 177 178 A F H <5S+ 0 0 0 -4,-2.3 4,-0.2 4,-0.2 -2,-0.2 0.952 124.1 27.2 -76.4 -51.2 35.5 15.1 30.7 178 179 A W H <5S+ 0 0 20 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.782 133.7 25.7 -84.5 -29.4 32.1 14.1 32.0 179 180 A Y T <> - 0 0 63 -6,-2.0 3,-2.1 1,-0.1 4,-0.7 -0.531 30.9-137.4 -72.4 130.7 40.5 15.5 34.7 183 184 A P G >4 S+ 0 0 98 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.809 104.7 65.3 -57.9 -27.8 42.9 18.2 33.4 184 185 A E G 34 S+ 0 0 148 1,-0.2 -7,-0.1 3,-0.0 -2,-0.0 0.702 103.5 47.3 -66.6 -20.3 44.0 15.8 30.7 185 186 A A G X4 S+ 0 0 2 -3,-2.1 3,-1.7 -9,-0.2 -1,-0.2 0.576 80.3 118.7 -99.0 -12.6 40.4 16.0 29.3 186 187 A D T << S+ 0 0 60 -4,-0.7 -9,-0.0 -3,-0.6 -10,-0.0 -0.282 77.8 25.6 -57.2 137.3 40.0 19.8 29.3 187 188 A G T > S+ 0 0 36 6,-0.2 3,-2.1 7,-0.2 -1,-0.3 0.513 76.3 136.3 87.4 5.3 39.4 21.1 25.8 188 189 A L T < S+ 0 0 0 -3,-1.7 -32,-0.1 1,-0.3 -31,-0.1 0.851 82.5 32.3 -53.1 -38.7 38.0 17.9 24.5 189 190 A Y T > S- 0 0 7 1,-0.4 3,-2.2 4,-0.4 -1,-0.3 0.040 105.7-132.3-108.1 26.3 35.2 19.8 22.7 190 191 A G T < S- 0 0 17 -3,-2.1 -1,-0.4 1,-0.3 3,-0.3 -0.408 72.6 -28.1 61.7-131.2 37.2 22.9 21.9 191 192 A N T 3 S+ 0 0 155 1,-0.2 -1,-0.3 -2,-0.1 -3,-0.0 0.306 123.1 89.9 -98.3 7.5 35.3 26.0 22.9 192 193 A G S < S+ 0 0 18 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.822 95.7 23.4 -72.9 -33.6 32.0 24.2 22.3 193 194 A V 0 0 4 -3,-0.3 -4,-0.4 -4,-0.2 -6,-0.2 -0.992 360.0 360.0-137.4 127.5 31.6 22.8 25.9 194 195 A P 0 0 80 0, 0.0 -7,-0.2 0, 0.0 -174,-0.2 0.901 360.0 360.0 -68.9 360.0 33.2 24.3 29.0