==== 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 LUMINESCENT PROTEIN 19-JUN-01 1JF2 . COMPND 2 MOLECULE: OBELIN; . SOURCE 2 ORGANISM_SCIENTIFIC: OBELIA LONGISSIMA; . AUTHOR Z.-J.LIU,E.S.VYSOTSKI,L.DENG,S.V.MARKOVA,J.LEE,J.P.ROSE,B.- . 190 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9537.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 67.4 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 . 5 2.6 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 . 3 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 48.4 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 1 0 0 0 0 0 2 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 . 1 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 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 6 A A 0 0 151 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 94.7 68.1 36.2 -45.9 2 7 A V - 0 0 30 1,-0.1 2,-0.5 2,-0.0 167,-0.1 -0.293 360.0-107.8 -63.5 146.4 66.6 33.2 -47.7 3 8 A K + 0 0 52 1,-0.2 175,-0.2 2,-0.0 173,-0.1 -0.647 36.9 176.7 -77.4 123.3 67.1 29.8 -46.2 4 9 A L + 0 0 87 -2,-0.5 2,-0.3 2,-0.1 -1,-0.2 0.569 48.7 99.4-104.4 -13.2 69.5 27.8 -48.3 5 10 A K S S- 0 0 141 171,-0.1 2,-0.1 1,-0.1 -2,-0.0 -0.589 73.9-125.3 -76.1 132.7 69.7 24.7 -46.1 6 11 A T - 0 0 36 -2,-0.3 170,-0.2 1,-0.1 -2,-0.1 -0.382 20.9-170.2 -78.3 159.0 67.5 21.9 -47.4 7 12 A D > + 0 0 57 168,-0.5 3,-1.6 -2,-0.1 6,-0.3 -0.327 26.7 151.2-143.5 49.8 64.9 20.1 -45.3 8 13 A F T 3 S+ 0 0 24 1,-0.3 -1,-0.1 5,-0.1 80,-0.1 0.637 70.3 52.1 -62.3 -21.0 64.0 17.2 -47.6 9 14 A D T 3 S+ 0 0 142 -3,-0.1 -1,-0.3 4,-0.1 -3,-0.0 0.408 80.3 117.8 -96.7 1.3 63.0 14.8 -44.9 10 15 A N X> - 0 0 42 -3,-1.6 4,-2.4 1,-0.1 3,-0.6 -0.540 65.3-139.0 -72.5 125.9 60.6 17.2 -43.2 11 16 A P H 3> S+ 0 0 84 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.819 103.3 54.3 -53.0 -33.4 57.0 15.9 -43.3 12 17 A R H 3> S+ 0 0 118 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.866 107.8 47.3 -70.8 -37.8 55.8 19.4 -44.1 13 18 A W H <> S+ 0 0 0 -3,-0.6 4,-1.7 -6,-0.3 5,-0.2 0.909 112.7 50.5 -69.2 -40.9 58.0 19.7 -47.2 14 19 A I H X S+ 0 0 44 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.922 110.3 49.3 -62.0 -43.6 57.0 16.3 -48.3 15 20 A K H X S+ 0 0 109 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.825 104.0 59.7 -66.3 -32.6 53.3 17.2 -48.0 16 21 A R H X S+ 0 0 0 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.940 112.7 38.1 -61.6 -45.2 53.7 20.4 -49.9 17 22 A H H X S+ 0 0 2 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.793 111.4 57.7 -77.5 -27.3 54.9 18.5 -52.9 18 23 A K H X S+ 0 0 72 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.893 107.0 51.3 -67.4 -36.4 52.5 15.6 -52.4 19 24 A H H X S+ 0 0 68 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.933 112.4 44.8 -64.1 -45.2 49.8 18.3 -52.6 20 25 A M H X S+ 0 0 27 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.900 112.4 51.9 -66.3 -40.1 51.2 19.6 -55.9 21 26 A F H >X S+ 0 0 2 -4,-2.9 4,-1.7 1,-0.2 3,-0.6 0.952 110.9 46.6 -60.5 -50.5 51.7 16.1 -57.3 22 27 A D H 3< S+ 0 0 77 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.817 109.2 56.5 -61.3 -31.1 48.0 15.2 -56.5 23 28 A F H 3< S+ 0 0 59 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.821 111.8 41.9 -69.6 -31.9 47.0 18.5 -58.1 24 29 A L H << S+ 0 0 23 -4,-1.6 2,-1.5 -3,-0.6 -2,-0.2 0.680 93.5 89.9 -87.9 -20.8 48.8 17.5 -61.3 25 30 A D < - 0 0 13 -4,-1.7 3,-0.3 1,-0.2 -1,-0.1 -0.636 58.4-178.9 -80.7 91.4 47.5 13.9 -61.2 26 31 A I S S+ 0 0 140 -2,-1.5 -1,-0.2 1,-0.2 6,-0.1 0.967 77.5 31.0 -56.3 -67.1 44.3 14.4 -63.2 27 32 A N S S- 0 0 105 4,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.453 104.3-127.4 -76.6 1.8 42.7 10.9 -63.2 28 33 A G + 0 0 51 -3,-0.3 -2,-0.1 -6,-0.1 4,-0.1 0.802 63.3 140.4 58.4 34.0 44.3 10.2 -59.8 29 34 A N S S- 0 0 73 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.250 77.9-103.3 -88.9 13.1 46.0 7.0 -60.9 30 35 A G S S+ 0 0 36 1,-0.2 50,-0.6 -5,-0.1 2,-0.3 0.643 91.1 84.3 78.2 16.0 49.0 8.0 -58.8 31 36 A K E -A 79 0A 69 48,-0.2 -2,-0.3 -9,-0.1 2,-0.3 -0.987 51.8-163.8-148.1 156.2 51.2 9.1 -61.7 32 37 A I E -A 78 0A 0 46,-2.0 46,-3.1 -2,-0.3 2,-0.3 -0.892 7.9-148.2-134.9 165.7 51.9 12.1 -64.0 33 38 A T > - 0 0 17 -2,-0.3 4,-1.7 44,-0.2 41,-0.1 -0.945 26.7-123.7-134.5 155.9 53.6 12.7 -67.3 34 39 A L H > S+ 0 0 0 39,-0.8 4,-3.1 42,-0.4 5,-0.3 0.842 112.4 63.4 -64.9 -31.9 55.5 15.6 -68.8 35 40 A D H > S+ 0 0 72 38,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.945 105.5 42.5 -56.1 -51.3 53.0 15.4 -71.7 36 41 A E H > S+ 0 0 76 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.863 115.3 50.8 -64.2 -38.6 50.1 16.3 -69.4 37 42 A I H X S+ 0 0 9 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.922 112.3 44.0 -67.5 -46.7 52.1 19.0 -67.6 38 43 A V H X S+ 0 0 9 -4,-3.1 4,-2.8 1,-0.2 5,-0.4 0.855 110.6 56.4 -68.6 -33.6 53.3 20.8 -70.8 39 44 A S H X>S+ 0 0 52 -4,-2.0 4,-2.3 -5,-0.3 5,-1.1 0.925 106.6 50.5 -61.5 -43.6 49.7 20.6 -72.2 40 45 A K H X>S+ 0 0 51 -4,-1.8 5,-2.9 1,-0.2 4,-0.6 0.925 113.2 45.8 -58.6 -47.4 48.5 22.4 -69.1 41 46 A A H <>S+ 0 0 5 -4,-1.9 5,-2.3 3,-0.2 -2,-0.2 0.922 126.7 25.1 -63.6 -47.0 51.0 25.1 -69.5 42 47 A S H <5S+ 0 0 11 -4,-2.8 5,-0.4 3,-0.2 -3,-0.2 0.898 127.4 36.2 -90.0 -45.7 50.6 25.7 -73.2 43 48 A D H <5S+ 0 0 110 -4,-2.3 -3,-0.2 -5,-0.4 -2,-0.1 0.762 132.4 22.3 -81.7 -25.9 47.1 24.6 -74.3 44 49 A D T X45S+ 0 0 61 -5,-0.4 3,-1.2 1,-0.2 -1,-0.2 0.940 110.6 44.8 -64.1 -47.1 45.8 30.2 -74.2 48 53 A K H 3<5S+ 0 0 123 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.723 112.7 51.4 -70.1 -21.9 43.6 31.7 -71.5 49 54 A L T 3<5S- 0 0 25 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.388 110.7-126.9 -92.8 1.8 46.2 34.4 -70.7 50 55 A E T < 5 + 0 0 166 -3,-1.2 -3,-0.2 -4,-0.2 -2,-0.1 0.854 41.2 179.4 55.0 42.8 46.3 35.2 -74.5 51 56 A A < - 0 0 17 -5,-2.4 -1,-0.1 -6,-0.1 65,-0.1 -0.380 30.0-112.0 -70.6 151.0 50.1 34.7 -74.7 52 57 A T > - 0 0 64 1,-0.1 4,-2.9 -2,-0.1 5,-0.2 -0.336 34.7-101.1 -75.6 165.7 51.7 35.2 -78.2 53 58 A P H > S+ 0 0 113 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.921 125.2 48.1 -55.5 -42.4 53.2 32.2 -79.9 54 59 A E H > S+ 0 0 121 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.886 112.5 47.0 -65.9 -39.4 56.7 33.3 -78.8 55 60 A Q H > S+ 0 0 25 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.893 112.4 51.3 -69.4 -36.8 55.6 33.9 -75.2 56 61 A T H X S+ 0 0 30 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.916 112.0 46.6 -64.4 -42.5 53.9 30.6 -75.2 57 62 A K H X S+ 0 0 105 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.909 110.9 50.4 -66.2 -44.8 57.0 28.8 -76.5 58 63 A R H X S+ 0 0 124 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.931 113.4 47.2 -58.9 -44.3 59.3 30.6 -74.0 59 64 A H H X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.901 111.1 51.7 -64.1 -40.3 56.9 29.5 -71.2 60 65 A Q H X S+ 0 0 46 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.914 108.2 51.1 -63.1 -43.5 56.8 26.0 -72.6 61 66 A V H X S+ 0 0 69 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.892 110.2 49.8 -61.8 -40.9 60.6 25.8 -72.6 62 67 A C H X S+ 0 0 20 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.913 111.7 47.5 -64.8 -43.2 60.8 26.9 -69.0 63 68 A V H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.932 110.7 51.7 -64.5 -45.3 58.2 24.4 -67.8 64 69 A E H X S+ 0 0 26 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.910 111.9 46.9 -57.3 -43.2 59.9 21.5 -69.7 65 70 A A H X S+ 0 0 38 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.904 111.0 52.0 -66.5 -42.0 63.3 22.4 -68.1 66 71 A F H < S+ 0 0 6 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.952 118.2 35.5 -60.1 -52.9 61.7 22.7 -64.6 67 72 A F H ><>S+ 0 0 18 -4,-2.6 5,-1.7 1,-0.2 3,-1.4 0.802 112.6 56.8 -76.5 -27.6 60.1 19.3 -64.7 68 73 A R H ><5S+ 0 0 97 -4,-2.3 3,-1.8 -5,-0.3 -1,-0.2 0.788 98.5 65.7 -69.8 -23.0 62.8 17.5 -66.7 69 74 A G T 3<5S+ 0 0 29 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.670 97.2 54.6 -68.8 -14.8 64.9 18.7 -63.8 70 75 A C T < 5S- 0 0 3 -3,-1.4 -1,-0.3 -4,-0.1 16,-0.2 0.266 129.9 -97.4 -99.2 8.2 62.8 16.3 -61.8 71 76 A G T < 5S+ 0 0 59 -3,-1.8 2,-0.2 1,-0.3 -3,-0.2 0.621 78.9 142.2 86.3 14.1 63.6 13.4 -64.0 72 77 A M < + 0 0 2 -5,-1.7 2,-0.3 -8,-0.1 -1,-0.3 -0.593 21.1 170.0 -90.4 151.5 60.4 13.7 -66.1 73 78 A E > - 0 0 77 3,-0.4 3,-1.5 -2,-0.2 -39,-0.8 -0.977 41.7 -78.5-153.7 160.2 60.2 13.1 -69.8 74 79 A Y T 3 S+ 0 0 82 -2,-0.3 3,-0.1 1,-0.2 -41,-0.0 -0.365 113.5 17.9 -64.0 137.9 57.6 12.8 -72.5 75 80 A G T 3 S+ 0 0 66 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.485 100.5 107.9 82.2 2.7 56.0 9.4 -72.7 76 81 A K < - 0 0 139 -3,-1.5 -42,-0.4 2,-0.0 2,-0.4 -0.958 61.0-140.2-121.2 125.6 57.1 8.3 -69.2 77 82 A E - 0 0 114 -2,-0.5 2,-0.4 -44,-0.1 -44,-0.2 -0.658 19.0-155.9 -82.7 130.3 54.7 8.0 -66.2 78 83 A I E -A 32 0A 10 -46,-3.1 -46,-2.0 -2,-0.4 2,-0.2 -0.907 2.3-149.7-112.2 133.4 56.2 9.2 -62.9 79 84 A A E > -A 31 0A 47 -2,-0.4 4,-2.4 -48,-0.2 5,-0.2 -0.577 32.0-105.1 -92.6 161.0 55.1 8.1 -59.5 80 85 A F H > S+ 0 0 29 -50,-0.6 4,-3.5 1,-0.2 5,-0.3 0.923 115.1 52.2 -54.4 -55.0 55.3 10.4 -56.5 81 86 A P H > S+ 0 0 96 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.912 115.5 42.5 -50.4 -44.9 58.3 8.9 -54.7 82 87 A Q H > S+ 0 0 130 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.872 114.0 52.1 -69.6 -36.2 60.4 9.1 -57.9 83 88 A F H X S+ 0 0 4 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.898 109.9 50.2 -64.8 -40.9 59.0 12.6 -58.6 84 89 A L H X S+ 0 0 17 -4,-3.5 4,-2.1 2,-0.2 -2,-0.2 0.909 108.9 48.9 -66.7 -42.7 60.0 13.6 -55.1 85 90 A D H X S+ 0 0 89 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.884 111.8 52.1 -64.8 -32.8 63.5 12.4 -55.4 86 91 A G H X S+ 0 0 2 -4,-1.8 4,-2.3 -16,-0.2 -1,-0.2 0.884 106.9 52.0 -66.9 -37.9 63.7 14.2 -58.7 87 92 A F H X S+ 0 0 7 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.857 104.5 56.2 -68.0 -32.8 62.5 17.3 -57.0 88 93 A K H X S+ 0 0 50 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.902 108.8 48.0 -64.1 -38.3 65.2 17.0 -54.4 89 94 A Q H X S+ 0 0 111 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.911 111.5 49.0 -68.0 -42.4 67.7 17.0 -57.3 90 95 A L H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.950 111.0 51.9 -59.9 -48.1 66.1 20.0 -58.9 91 96 A A H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.921 111.6 44.5 -55.5 -48.8 66.2 21.8 -55.6 92 97 A T H X S+ 0 0 71 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.888 113.5 51.4 -65.7 -36.3 69.9 21.1 -55.0 93 98 A S H X S+ 0 0 49 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.897 112.0 47.5 -65.6 -39.3 70.7 22.1 -58.7 94 99 A E H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.908 110.7 50.1 -67.2 -43.6 68.7 25.3 -58.2 95 100 A L H X S+ 0 0 21 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.810 108.2 54.6 -65.8 -29.1 70.5 26.1 -54.9 96 101 A K H X S+ 0 0 115 -4,-1.7 4,-0.7 2,-0.2 -1,-0.2 0.925 109.3 46.6 -69.6 -43.5 73.8 25.5 -56.6 97 102 A K H ><>S+ 0 0 50 -4,-1.9 5,-2.9 1,-0.2 3,-1.1 0.922 111.2 52.2 -62.8 -42.8 72.9 28.0 -59.3 98 103 A W H ><5S+ 0 0 83 -4,-2.6 3,-1.6 1,-0.3 -1,-0.2 0.922 106.3 54.2 -57.6 -44.7 71.8 30.5 -56.6 99 104 A A H 3<5S+ 0 0 83 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.669 111.3 46.1 -63.8 -17.5 75.2 30.0 -54.9 100 105 A R T <<5S- 0 0 153 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.325 114.3-114.9-106.6 5.0 76.9 30.9 -58.2 101 106 A N T < 5S+ 0 0 154 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.836 70.8 142.3 62.6 33.5 74.7 33.9 -58.9 102 107 A E < - 0 0 88 -5,-2.9 -1,-0.3 -6,-0.1 -2,-0.2 -0.846 61.2 -96.8-104.2 141.4 73.3 32.1 -61.9 103 108 A P - 0 0 74 0, 0.0 2,-0.1 0, 0.0 -5,-0.0 -0.330 41.3-134.9 -60.5 134.3 69.6 32.4 -62.9 104 109 A T > - 0 0 3 1,-0.1 4,-2.4 -7,-0.1 5,-0.2 -0.406 17.9-113.8 -86.3 165.1 67.6 29.5 -61.6 105 110 A L H > S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.865 119.6 52.0 -66.5 -35.0 64.9 27.6 -63.5 106 111 A I H > S+ 0 0 8 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.864 108.9 50.6 -71.5 -31.8 62.2 29.0 -61.2 107 112 A R H > S+ 0 0 74 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.945 112.6 46.0 -67.4 -46.4 63.5 32.5 -61.9 108 113 A E H X S+ 0 0 80 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.886 110.7 51.9 -64.7 -37.0 63.4 32.0 -65.6 109 114 A W H X S+ 0 0 41 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.922 109.9 52.3 -63.2 -40.9 60.0 30.4 -65.4 110 115 A G H X S+ 0 0 16 -4,-1.9 4,-3.3 1,-0.2 5,-0.3 0.928 104.8 53.5 -59.0 -46.9 59.0 33.5 -63.5 111 116 A D H X S+ 0 0 62 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.902 108.9 50.8 -55.3 -40.7 60.4 35.7 -66.2 112 117 A A H X S+ 0 0 12 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.880 113.2 43.6 -67.0 -37.6 58.2 33.9 -68.7 113 118 A V H X S+ 0 0 12 -4,-2.0 4,-1.1 2,-0.2 3,-0.2 0.931 113.8 51.1 -72.4 -44.8 55.0 34.3 -66.6 114 119 A F H < S+ 0 0 19 -4,-3.3 4,-0.5 1,-0.2 3,-0.3 0.859 106.6 54.7 -59.6 -38.2 55.8 37.9 -65.9 115 120 A D H >< S+ 0 0 53 -4,-2.2 3,-0.9 -5,-0.3 -1,-0.2 0.874 101.5 57.3 -66.0 -36.2 56.3 38.7 -69.5 116 121 A I H 3< S+ 0 0 8 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.843 113.9 41.0 -62.0 -30.4 52.9 37.3 -70.4 117 122 A F T 3< S+ 0 0 19 -4,-1.1 2,-1.4 -3,-0.3 -1,-0.3 0.446 87.7 107.9 -95.0 -2.9 51.5 39.9 -68.0 118 123 A D < + 0 0 56 -3,-0.9 7,-0.1 -4,-0.5 -1,-0.1 -0.622 35.6 135.5 -81.6 92.8 53.8 42.7 -69.0 119 124 A K S S+ 0 0 168 -2,-1.4 -1,-0.2 1,-0.1 -2,-0.0 0.856 71.2 30.5-100.4 -75.7 51.5 45.1 -70.9 120 125 A D S S- 0 0 130 1,-0.1 -2,-0.1 0, 0.0 -1,-0.1 0.220 117.1-101.2 -73.4 19.6 52.0 48.7 -70.0 121 126 A G S S+ 0 0 51 1,-0.1 -1,-0.1 3,-0.1 -3,-0.1 0.671 76.8 147.2 70.1 16.1 55.6 47.8 -69.3 122 127 A S - 0 0 46 -5,-0.2 3,-0.1 1,-0.1 -4,-0.1 0.830 46.0-149.1 -51.5 -32.6 54.9 47.7 -65.6 123 128 A G + 0 0 46 1,-0.3 40,-0.4 -9,-0.1 2,-0.2 0.676 68.4 76.0 68.9 15.4 57.5 45.0 -65.5 124 129 A T S S- 0 0 16 -7,-0.2 2,-0.4 38,-0.1 -1,-0.3 -0.759 83.2-105.7-140.7-175.1 55.6 43.6 -62.5 125 130 A I B -B 161 0B 0 36,-2.4 36,-2.8 -2,-0.2 2,-0.1 -0.986 27.4-143.6-124.2 131.1 52.4 41.7 -61.8 126 131 A T > - 0 0 37 -2,-0.4 4,-2.4 34,-0.2 5,-0.2 -0.402 29.3-106.2 -86.5 167.7 49.3 43.3 -60.3 127 132 A L H > S+ 0 0 50 32,-0.2 4,-2.3 1,-0.2 5,-0.1 0.902 121.6 50.4 -59.6 -42.9 46.9 41.7 -57.8 128 133 A D H > S+ 0 0 118 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.881 109.4 51.0 -64.1 -38.1 44.3 41.2 -60.5 129 134 A E H > S+ 0 0 44 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.917 111.9 46.6 -66.1 -42.1 46.8 39.6 -62.8 130 135 A W H X S+ 0 0 9 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.874 108.3 56.4 -67.7 -34.9 47.9 37.2 -60.1 131 136 A K H X S+ 0 0 29 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.908 108.0 48.9 -61.2 -39.5 44.3 36.4 -59.3 132 137 A A H X S+ 0 0 35 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.930 110.9 49.6 -64.8 -45.6 43.9 35.4 -62.9 133 138 A Y H X S+ 0 0 25 -4,-2.3 4,-2.8 1,-0.2 5,-0.5 0.924 108.5 52.4 -60.3 -44.9 47.0 33.2 -62.8 134 139 A G H X S+ 0 0 0 -4,-2.9 6,-1.4 1,-0.2 4,-1.0 0.902 115.8 41.4 -57.6 -40.8 45.8 31.5 -59.6 135 140 A K H < S+ 0 0 149 -4,-1.8 -2,-0.2 6,-0.2 -1,-0.2 0.932 117.9 43.6 -72.7 -49.0 42.5 30.7 -61.2 136 141 A I H < S+ 0 0 34 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.873 119.4 41.6 -68.1 -39.2 43.7 29.7 -64.7 137 142 A S H < S- 0 0 3 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.784 101.7-137.5 -77.5 -27.0 46.6 27.6 -63.4 138 143 A G S < S+ 0 0 28 -4,-1.0 -3,-0.1 -5,-0.5 -4,-0.1 0.401 73.9 112.6 85.7 -2.4 44.4 26.2 -60.7 139 144 A I S S+ 0 0 18 -6,-0.4 -5,-0.1 1,-0.2 -4,-0.1 0.849 96.4 5.5 -70.7 -32.6 47.1 26.4 -58.1 140 145 A S + 0 0 0 -6,-1.4 -1,-0.2 -7,-0.2 -5,-0.2 -0.504 69.4 161.5-152.1 72.3 45.3 29.2 -56.1 141 146 A P + 0 0 79 0, 0.0 2,-0.2 0, 0.0 -6,-0.2 0.800 49.5 98.2 -65.7 -30.3 41.8 29.8 -57.6 142 147 A S > - 0 0 44 1,-0.2 4,-1.8 -8,-0.1 5,-0.2 -0.426 66.7-148.2 -66.1 125.9 40.5 31.6 -54.4 143 148 A Q H > S+ 0 0 124 1,-0.2 4,-2.0 -2,-0.2 5,-0.2 0.865 100.0 56.8 -59.1 -37.3 40.7 35.4 -54.6 144 149 A E H > S+ 0 0 123 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.899 106.0 48.2 -62.2 -42.6 41.3 35.4 -50.8 145 150 A D H > S+ 0 0 19 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.855 111.0 51.3 -68.1 -33.0 44.4 33.1 -51.2 146 151 A C H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.848 110.1 48.9 -71.5 -33.8 45.7 35.4 -54.0 147 152 A E H X S+ 0 0 74 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.860 108.0 55.4 -71.9 -32.9 45.2 38.4 -51.8 148 153 A A H X S+ 0 0 16 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.889 103.6 55.3 -64.7 -38.6 47.0 36.5 -49.0 149 154 A T H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.937 110.1 45.1 -59.6 -46.5 49.9 36.0 -51.4 150 155 A F H < S+ 0 0 9 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.853 112.5 49.9 -68.8 -32.1 50.2 39.8 -51.9 151 156 A R H < S+ 0 0 169 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.854 111.9 51.4 -71.1 -32.8 49.9 40.5 -48.2 152 157 A H H < S+ 0 0 51 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.906 103.7 67.0 -68.6 -44.9 52.6 38.0 -47.6 153 158 A C S < S- 0 0 7 -4,-2.3 2,-0.8 -5,-0.2 13,-0.0 -0.280 90.4-107.9 -79.1 162.7 55.1 39.4 -50.1 154 159 A D - 0 0 118 8,-0.1 8,-0.4 -2,-0.0 2,-0.2 -0.833 46.1-168.8 -89.6 114.4 56.9 42.7 -50.1 155 160 A L - 0 0 61 -2,-0.8 6,-0.2 -5,-0.1 2,-0.0 -0.539 21.8-105.0-101.2 167.7 55.2 44.7 -52.8 156 161 A D > - 0 0 61 4,-2.2 3,-1.9 -2,-0.2 -1,-0.1 -0.248 48.5 -87.6 -81.4-179.5 56.3 48.0 -54.4 157 162 A N T 3 S+ 0 0 172 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.719 128.9 57.3 -63.8 -20.1 54.5 51.3 -53.5 158 163 A S T 3 S- 0 0 98 2,-0.1 -1,-0.3 -32,-0.0 -3,-0.0 0.502 119.3-109.6 -86.9 -4.9 51.9 50.6 -56.2 159 164 A G S < S+ 0 0 29 -3,-1.9 2,-0.2 1,-0.3 -32,-0.2 0.689 74.1 134.8 85.1 20.7 51.0 47.3 -54.6 160 165 A D - 0 0 26 -34,-0.1 -4,-2.2 -33,-0.1 2,-0.4 -0.656 51.9-123.2-103.5 160.4 52.5 45.2 -57.4 161 166 A L B -B 125 0B 0 -36,-2.8 -36,-2.4 -2,-0.2 2,-0.3 -0.800 20.0-150.2-102.6 140.8 54.8 42.1 -57.2 162 167 A D > - 0 0 51 -8,-0.4 4,-2.2 -2,-0.4 3,-0.3 -0.799 23.8-116.8-110.6 154.9 58.2 41.9 -58.8 163 168 A V H > S+ 0 0 19 -40,-0.4 4,-2.3 -2,-0.3 5,-0.2 0.756 111.3 56.8 -61.1 -28.3 60.0 38.8 -60.1 164 169 A D H > S+ 0 0 81 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.923 109.1 46.1 -71.0 -40.6 62.9 39.0 -57.7 165 170 A E H > S+ 0 0 6 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.932 115.1 46.2 -65.7 -45.7 60.5 38.9 -54.7 166 171 A M H X S+ 0 0 7 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.901 113.3 49.5 -65.5 -38.1 58.5 36.0 -56.2 167 172 A T H X S+ 0 0 9 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.933 111.1 49.9 -62.7 -46.4 61.6 34.1 -57.1 168 173 A R H X S+ 0 0 100 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.892 114.0 45.3 -57.6 -44.1 63.0 34.6 -53.6 169 174 A Q H X S+ 0 0 14 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.922 113.0 50.0 -68.2 -44.5 59.8 33.4 -52.1 170 175 A H H X>S+ 0 0 21 -4,-2.8 4,-3.0 2,-0.2 5,-0.7 0.836 104.4 57.5 -65.0 -35.5 59.5 30.4 -54.4 171 176 A L H X>S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 5,-1.2 0.942 115.1 38.6 -60.3 -44.7 63.1 29.3 -53.7 172 177 A G H <>S+ 0 0 0 -4,-1.4 6,-2.0 3,-0.2 5,-1.1 0.849 118.8 48.2 -74.6 -33.5 62.2 29.1 -50.1 173 178 A F H <5S+ 0 0 0 -4,-2.5 -2,-0.2 4,-0.2 -3,-0.2 0.945 124.5 26.2 -73.4 -48.7 58.7 27.7 -50.7 174 179 A W H <5S+ 0 0 19 -4,-3.0 -3,-0.2 -5,-0.1 -2,-0.2 0.868 133.2 28.1 -84.5 -35.7 59.5 24.9 -53.1 175 180 A Y T <> - 0 0 15 -6,-2.0 3,-1.7 -175,-0.2 4,-1.0 -0.479 21.0-138.7 -66.3 124.8 62.0 28.6 -45.6 179 184 A P T 34 S+ 0 0 88 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.840 105.0 58.9 -54.4 -34.1 59.9 29.8 -42.6 180 185 A E T 34 S+ 0 0 138 1,-0.2 -7,-0.1 3,-0.0 -2,-0.1 0.754 104.2 51.2 -66.9 -25.3 59.7 33.2 -44.3 181 186 A A T X4 S+ 0 0 1 -3,-1.7 3,-2.1 -9,-0.1 -1,-0.2 0.672 81.0 112.2 -87.4 -19.4 58.0 31.5 -47.3 182 187 A D T 3< S+ 0 0 43 -4,-1.0 -9,-0.0 -3,-0.4 -10,-0.0 -0.311 79.6 27.9 -56.4 136.4 55.3 29.7 -45.3 183 188 A G T > S+ 0 0 38 7,-0.3 3,-2.1 6,-0.2 -1,-0.3 0.368 78.2 132.4 92.6 -2.5 51.9 31.2 -46.1 184 189 A L T < S+ 0 0 0 -3,-2.1 -32,-0.1 1,-0.3 -31,-0.1 0.812 81.1 32.2 -50.0 -37.5 53.0 32.3 -49.6 185 190 A Y T > S- 0 0 5 4,-0.4 3,-2.5 1,-0.4 4,-0.3 0.064 100.1-135.9-110.4 24.1 49.8 30.7 -51.2 186 191 A G T < S- 0 0 22 -3,-2.1 -1,-0.4 1,-0.3 3,-0.3 -0.351 75.4 -27.2 57.7-134.0 47.4 31.3 -48.3 187 192 A N T 3 S+ 0 0 147 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.375 122.9 92.2 -92.0 4.9 45.4 28.1 -47.9 188 193 A G S < S+ 0 0 14 -3,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.872 99.6 12.4 -65.3 -40.6 45.9 27.2 -51.6 189 194 A V 0 0 3 -3,-0.3 -4,-0.4 -4,-0.3 -1,-0.3 -0.989 360.0 360.0-140.5 127.6 49.1 25.2 -51.0 190 195 A P 0 0 77 0, 0.0 -7,-0.3 0, 0.0 -174,-0.2 0.914 360.0 360.0 -68.0 360.0 50.3 23.9 -47.6