==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOSPHODIESTERASE 13-JAN-04 1S3N . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN MJ0936; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR S.CHEN,D.BUSSO,A.F.YAKUNIN,E.KUZNETSOVA,M.PROUDFOOT,J.JANCRI . 330 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14528.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 4 1.2 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 . 44 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 18.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 2 0 0 0 0 0 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 6 4 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 0 4 0 4 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 2 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 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 94 0, 0.0 154,-1.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 6.1 39.8 31.0 -4.4 2 2 A K E -A 154 0A 70 152,-0.2 27,-2.9 153,-0.1 28,-0.7 -0.840 360.0-158.6 -99.5 126.2 43.4 30.4 -5.7 3 3 A I E -Ab 153 30A 0 150,-2.4 150,-2.9 -2,-0.5 2,-0.3 -0.904 10.4-142.5-106.0 132.1 46.2 30.2 -3.2 4 4 A G E -Ab 152 31A 0 26,-2.9 28,-3.1 -2,-0.5 2,-0.4 -0.703 15.9-165.7 -89.3 142.5 49.7 30.9 -4.5 5 5 A I E +Ab 151 32A 0 146,-3.0 146,-2.3 -2,-0.3 2,-0.3 -0.983 17.6 149.5-130.0 140.8 52.6 28.8 -3.0 6 6 A M E + b 0 33A 0 26,-1.5 28,-1.8 -2,-0.4 29,-0.5 -0.982 12.5 178.2-162.4 164.9 56.3 29.5 -3.3 7 7 A S + 0 0 0 142,-0.3 133,-2.6 -2,-0.3 134,-0.3 -0.991 51.9 29.7-167.5 161.4 59.6 29.0 -1.5 8 8 A D + 0 0 0 -2,-0.3 133,-1.7 131,-0.2 134,-0.2 0.902 49.3 166.1 46.8 63.1 63.4 29.5 -1.5 9 9 A T > - 0 0 1 27,-0.6 3,-2.9 131,-0.2 28,-0.2 0.611 21.2-164.1 -79.6 -13.9 63.6 32.5 -3.6 10 10 A H T 3 - 0 0 40 26,-1.8 28,-0.2 1,-0.3 27,-0.2 0.780 64.3 -64.0 28.3 54.6 67.3 33.0 -2.5 11 11 A D T 3 S+ 0 0 43 26,-2.1 2,-1.6 25,-0.2 -1,-0.3 0.544 87.2 151.3 57.5 7.8 67.4 36.6 -3.7 12 12 A H <> - 0 0 38 -3,-2.9 4,-1.9 1,-0.2 -1,-0.2 -0.544 25.0-171.6 -72.5 92.5 66.9 35.6 -7.4 13 13 A L H > S+ 0 0 46 -2,-1.6 4,-2.5 1,-0.2 5,-0.2 0.906 75.3 53.3 -54.4 -46.8 65.2 38.9 -8.5 14 14 A P H > S+ 0 0 68 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.950 112.4 40.9 -55.4 -56.4 64.2 37.8 -12.0 15 15 A N H > S+ 0 0 11 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.815 112.1 58.3 -64.9 -30.7 62.4 34.6 -11.0 16 16 A I H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 3,-0.3 0.946 109.7 43.0 -61.6 -48.6 60.9 36.5 -8.0 17 17 A R H X S+ 0 0 107 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.943 110.1 56.2 -62.5 -49.1 59.3 39.0 -10.4 18 18 A K H X S+ 0 0 92 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.790 112.0 43.8 -53.0 -31.0 58.2 36.3 -12.8 19 19 A A H X S+ 0 0 0 -4,-1.4 4,-2.5 -3,-0.3 -1,-0.2 0.869 110.0 54.1 -83.3 -39.5 56.3 34.7 -9.9 20 20 A I H X S+ 0 0 8 -4,-2.7 4,-1.5 2,-0.2 30,-0.3 0.815 113.9 44.0 -64.1 -26.7 54.9 37.9 -8.7 21 21 A E H X S+ 0 0 122 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.945 111.0 51.5 -79.9 -52.7 53.5 38.5 -12.2 22 22 A I H < S+ 0 0 45 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.885 111.6 50.5 -50.5 -41.6 52.2 35.0 -12.7 23 23 A F H >< S+ 0 0 0 -4,-2.5 3,-1.9 2,-0.2 -1,-0.2 0.980 109.9 46.8 -65.6 -54.5 50.4 35.3 -9.4 24 24 A N H 3< S+ 0 0 42 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.1 0.959 102.0 63.9 -48.9 -60.7 48.7 38.6 -10.1 25 25 A D T 3< S+ 0 0 136 -4,-2.3 -1,-0.3 -5,-0.1 2,-0.2 0.450 108.2 53.6 -46.8 2.8 47.6 37.6 -13.6 26 26 A E S < S- 0 0 57 -3,-1.9 -3,-0.0 1,-0.2 0, 0.0 -0.677 101.8 -92.8-128.8-175.2 45.5 35.0 -11.8 27 27 A N + 0 0 94 -2,-0.2 -1,-0.2 -24,-0.0 24,-0.1 0.967 60.3 152.5 -59.2 -80.7 42.9 34.8 -9.0 28 28 A V - 0 0 10 -3,-0.1 -25,-0.2 125,-0.1 3,-0.1 0.928 23.1-173.7 45.0 97.6 45.4 34.2 -6.2 29 29 A E + 0 0 58 -27,-2.9 23,-1.2 1,-0.3 2,-0.3 0.885 69.9 4.8 -83.0 -44.8 43.8 35.6 -3.1 30 30 A T E -bc 3 52A 16 -28,-0.7 -26,-2.9 21,-0.2 2,-0.5 -0.922 66.5-137.5-137.8 162.3 46.9 35.0 -0.8 31 31 A V E -bc 4 53A 0 21,-2.3 23,-2.1 -2,-0.3 2,-0.4 -0.977 8.7-155.7-129.6 120.2 50.4 33.8 -1.3 32 32 A I E -bc 5 54A 0 -28,-3.1 -26,-1.5 -2,-0.5 2,-0.4 -0.788 14.0-179.7 -91.0 132.0 52.2 31.4 1.1 33 33 A H E +bc 6 55A 1 21,-2.4 23,-2.1 -2,-0.4 -26,-0.2 -0.922 13.4 166.4-136.5 105.1 56.0 31.7 1.0 34 34 A C + 0 0 0 -28,-1.8 -27,-0.2 -2,-0.4 85,-0.2 0.634 47.4 104.9 -95.1 -12.8 57.8 29.3 3.3 35 35 A G S S- 0 0 0 -29,-0.5 2,-0.7 1,-0.1 23,-0.6 0.373 84.5 -88.9 -61.1-176.4 61.2 29.9 1.7 36 36 A D + 0 0 1 1,-0.2 -26,-1.8 21,-0.2 -27,-0.6 -0.914 35.5 179.6 -93.9 110.2 64.4 31.7 2.4 37 37 A F - 0 0 0 -2,-0.7 -26,-2.1 -28,-0.2 2,-0.5 0.933 23.5-169.2 -69.1 -47.2 63.7 35.2 0.9 38 38 A V + 0 0 39 -28,-0.2 24,-0.6 -3,-0.2 2,-0.4 -0.447 48.7 49.7 88.1 -42.7 67.2 35.7 2.2 39 39 A S S > S- 0 0 37 -2,-0.5 3,-2.4 22,-0.1 4,-0.4 -0.974 76.3-122.5-129.7 142.0 67.7 39.5 1.9 40 40 A L T > S+ 0 0 36 -2,-0.4 3,-1.5 1,-0.3 4,-0.4 0.734 105.8 64.4 -43.7 -37.3 65.6 42.5 2.9 41 41 A F T >> S+ 0 0 102 1,-0.3 4,-1.3 2,-0.2 3,-0.9 0.731 87.4 71.6 -64.9 -19.0 65.3 44.0 -0.7 42 42 A V H <> S+ 0 0 0 -3,-2.4 4,-1.1 1,-0.3 -1,-0.3 0.849 90.3 62.4 -62.1 -30.8 63.4 40.9 -1.7 43 43 A I H <4 S+ 0 0 0 -3,-1.5 4,-0.3 -4,-0.4 -1,-0.3 0.765 96.1 56.9 -68.1 -26.9 60.6 42.4 0.4 44 44 A K H X4 S+ 0 0 80 -3,-0.9 3,-3.5 -4,-0.4 4,-0.4 0.966 99.5 57.8 -68.2 -50.4 60.3 45.5 -1.8 45 45 A E H >< S+ 0 0 45 -4,-1.3 3,-1.7 1,-0.3 -1,-0.2 0.868 101.2 59.7 -45.0 -39.9 59.7 43.5 -5.0 46 46 A F G >< S+ 0 0 2 -4,-1.1 3,-2.8 1,-0.3 -1,-0.3 0.675 79.9 81.6 -66.9 -14.7 56.7 42.1 -3.1 47 47 A E G < S+ 0 0 110 -3,-3.5 -1,-0.3 -4,-0.3 -2,-0.2 0.720 90.5 57.7 -63.2 -12.6 55.2 45.5 -2.8 48 48 A N G < S+ 0 0 106 -3,-1.7 2,-0.6 -4,-0.4 -1,-0.3 0.328 82.1 106.9 -96.5 4.9 54.0 44.8 -6.3 49 49 A L < - 0 0 14 -3,-2.8 -28,-0.1 1,-0.2 -18,-0.1 -0.783 58.1-155.2 -92.3 118.6 52.2 41.6 -5.3 50 50 A N S S+ 0 0 131 -2,-0.6 -1,-0.2 -30,-0.3 -22,-0.0 0.922 72.9 62.7 -55.8 -54.4 48.4 42.0 -5.4 51 51 A A S S- 0 0 10 1,-0.1 -21,-0.2 -23,-0.1 -22,-0.1 -0.143 91.1-101.8 -71.0 167.0 47.5 39.2 -2.9 52 52 A N E -c 30 0A 27 -23,-1.2 -21,-2.3 25,-0.0 2,-0.4 -0.294 36.0-116.9 -82.5 177.3 48.6 39.2 0.8 53 53 A I E -c 31 0A 2 -23,-0.2 26,-1.8 18,-0.1 2,-0.7 -0.951 23.0-176.4-130.3 121.9 51.4 37.1 2.2 54 54 A I E +cd 32 79A 10 -23,-2.1 -21,-2.4 -2,-0.4 2,-0.3 -0.948 30.8 175.6-107.9 109.7 51.7 34.3 4.7 55 55 A A E -cd 33 80A 0 24,-3.2 26,-1.4 -2,-0.7 2,-0.3 -0.785 23.1-150.6-118.2 163.6 55.4 33.6 5.1 56 56 A T E - d 0 81A 0 -23,-2.1 2,-0.6 -2,-0.3 26,-0.2 -0.884 33.0 -99.0-127.6 155.6 57.6 31.3 7.2 57 57 A Y - 0 0 8 24,-1.4 40,-0.3 -2,-0.3 -21,-0.2 -0.665 30.6-148.5 -83.0 117.7 61.2 31.9 8.3 58 58 A G > - 0 0 1 -2,-0.6 3,-0.8 -23,-0.6 -23,-0.1 -0.448 25.2-117.2 -74.0 158.5 63.8 30.2 6.2 59 59 A N T 3 S+ 0 0 71 1,-0.2 -1,-0.1 -2,-0.1 -23,-0.0 0.688 114.8 53.6 -71.9 -17.4 66.8 29.2 8.2 60 60 A N T 3 S+ 0 0 92 1,-0.0 2,-1.5 2,-0.0 -1,-0.2 0.574 76.8 114.2 -89.7 -10.9 69.0 31.5 6.0 61 61 A D < + 0 0 5 -3,-0.8 3,-0.2 1,-0.2 -22,-0.1 -0.426 41.0 175.6 -63.7 88.7 66.8 34.5 6.7 62 62 A G + 0 0 59 -2,-1.5 2,-2.5 -24,-0.6 3,-0.2 0.936 64.7 61.5 -62.5 -53.9 69.2 36.7 8.7 63 63 A E > + 0 0 105 -25,-0.3 4,-2.3 1,-0.2 -1,-0.2 -0.380 65.7 167.2 -77.3 65.1 67.3 39.9 9.3 64 64 A R H > S+ 0 0 108 -2,-2.5 4,-0.9 -3,-0.2 -1,-0.2 0.850 72.4 32.2 -50.5 -48.3 64.5 38.3 11.2 65 65 A C H > S+ 0 0 75 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.784 114.6 57.3 -85.7 -24.0 62.7 41.4 12.7 66 66 A K H > S+ 0 0 88 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.901 105.3 54.3 -68.0 -38.4 63.4 43.7 9.8 67 67 A L H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.861 108.0 49.8 -60.0 -40.5 61.6 41.2 7.5 68 68 A K H X S+ 0 0 90 -4,-0.9 4,-1.6 -5,-0.2 -2,-0.2 0.954 112.9 43.4 -65.2 -54.5 58.6 41.2 9.7 69 69 A E H >X S+ 0 0 95 -4,-2.0 4,-2.2 2,-0.2 3,-1.0 0.978 117.6 47.5 -53.1 -61.3 58.2 45.1 9.9 70 70 A W H 3X S+ 0 0 59 -4,-2.4 4,-1.5 1,-0.3 -1,-0.2 0.881 105.9 55.9 -48.1 -51.8 58.9 45.4 6.2 71 71 A L H 3< S+ 0 0 2 -4,-2.5 4,-0.3 -5,-0.2 -1,-0.3 0.882 112.3 46.7 -53.8 -33.6 56.5 42.7 5.2 72 72 A K H X< S+ 0 0 87 -4,-1.6 3,-2.1 -3,-1.0 -2,-0.2 0.914 101.4 58.4 -77.7 -41.4 53.9 44.7 7.1 73 73 A D H 3< S+ 0 0 122 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.825 107.5 54.3 -55.8 -24.6 54.6 48.2 5.7 74 74 A I T 3< S- 0 0 36 -4,-1.5 -1,-0.3 1,-0.3 2,-0.2 0.726 136.9 -20.7 -78.7 -21.5 53.8 46.3 2.5 75 75 A N < - 0 0 54 -3,-2.1 -1,-0.3 -4,-0.3 3,-0.1 -0.772 51.6-134.9 174.8 134.5 50.5 45.3 4.0 76 76 A E S S+ 0 0 166 -2,-0.2 -3,-0.1 1,-0.2 -1,-0.1 0.839 104.4 58.5 -72.1 -31.3 49.1 45.0 7.5 77 77 A E S S+ 0 0 130 -5,-0.1 -1,-0.2 2,-0.0 -5,-0.1 0.862 80.0 107.9 -65.4 -35.9 47.6 41.5 6.9 78 78 A N - 0 0 3 -7,-0.2 2,-0.3 -6,-0.1 -24,-0.2 -0.158 50.9-170.3 -50.4 128.2 50.9 39.9 5.9 79 79 A I E -d 54 0A 63 -26,-1.8 -24,-3.2 -8,-0.0 2,-0.3 -0.879 14.0-177.8-123.5 152.3 52.3 37.5 8.6 80 80 A I E +d 55 0A 11 -2,-0.3 2,-0.2 -26,-0.2 -24,-0.2 -0.837 17.0 144.4-155.8 113.9 55.6 35.6 9.1 81 81 A D E -d 56 0A 71 -26,-1.4 -24,-1.4 -2,-0.3 3,-0.2 -0.766 59.9-101.7-135.5 178.9 56.5 33.1 11.9 82 82 A D S S+ 0 0 22 1,-0.3 15,-0.5 -2,-0.2 2,-0.4 0.824 113.1 19.1 -74.4 -31.8 58.6 30.0 12.2 83 83 A F E -F 96 0B 6 13,-0.1 2,-0.5 -27,-0.1 -1,-0.3 -0.994 68.6-169.7-139.7 130.8 55.4 27.9 12.1 84 84 A I E -F 95 0B 18 11,-2.3 11,-2.6 -2,-0.4 2,-0.7 -0.947 3.2-177.3-123.6 113.8 52.0 29.0 10.8 85 85 A S E +F 94 0B 55 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.894 25.5 155.0-110.4 105.2 48.9 26.8 11.4 86 86 A V E -F 93 0B 45 7,-0.9 7,-3.7 -2,-0.7 2,-0.4 -0.794 39.2-130.3-125.6 169.9 45.9 28.4 9.7 87 87 A E E +F 92 0B 99 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.935 29.6 170.7-117.7 139.4 42.6 27.6 8.3 88 88 A I E > -F 91 0B 27 3,-2.2 3,-0.8 -2,-0.4 -2,-0.0 -0.988 63.4 -4.1-150.6 145.6 41.5 28.8 4.9 89 89 A D T 3 S- 0 0 40 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.828 133.3 -51.5 36.0 47.0 38.6 28.1 2.5 90 90 A D T 3 S+ 0 0 148 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.899 115.1 117.0 59.2 50.2 37.5 25.6 5.1 91 91 A L E < -F 88 0B 15 -3,-0.8 -3,-2.2 23,-0.0 2,-0.6 -0.992 63.0-125.3-149.8 137.4 40.9 23.8 5.3 92 92 A K E -F 87 0B 91 -2,-0.3 23,-2.9 -5,-0.2 22,-2.0 -0.729 31.6-169.8 -85.9 118.5 43.5 23.1 8.0 93 93 A F E -Fg 86 115B 0 -7,-3.7 -7,-0.9 -2,-0.6 2,-0.5 -0.864 18.8-171.3-112.9 138.6 47.1 24.3 7.0 94 94 A F E -Fg 85 116B 0 21,-1.7 23,-2.5 -2,-0.4 2,-0.4 -0.960 18.5-175.6-124.8 112.4 50.4 23.7 8.6 95 95 A I E +Fg 84 117B 0 -11,-2.6 -11,-2.3 -2,-0.5 2,-0.3 -0.890 14.3 143.0-112.3 138.6 53.1 25.8 7.0 96 96 A T E -F 83 0B 2 21,-2.1 23,-0.4 -2,-0.4 2,-0.2 -0.981 53.3 -99.8-164.3 157.8 56.8 25.7 7.7 97 97 A H > - 0 0 0 -15,-0.5 3,-0.6 -40,-0.3 -62,-0.1 -0.595 51.1-107.9 -75.8 148.2 60.3 26.0 6.0 98 98 A G T 3 S+ 0 0 6 1,-0.2 6,-0.2 -2,-0.2 -1,-0.1 0.712 90.9 117.1 -53.2 -16.6 61.5 22.4 5.7 99 99 A H T 3 + 0 0 64 1,-0.2 2,-0.8 2,-0.1 -1,-0.2 0.682 69.5 35.6 -6.8 -80.4 63.9 23.3 8.4 100 100 A H <> - 0 0 22 -3,-0.6 4,-1.5 1,-0.2 -1,-0.2 -0.835 64.8-173.0 -96.8 103.9 62.9 21.0 11.3 101 101 A Q H > S+ 0 0 125 -2,-0.8 4,-3.5 1,-0.2 5,-0.3 0.859 79.9 63.8 -66.1 -38.3 61.8 17.6 9.8 102 102 A S H > S+ 0 0 39 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.922 107.8 41.5 -51.8 -49.3 60.6 16.3 13.2 103 103 A V H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.890 115.6 51.3 -68.2 -36.5 57.9 18.9 13.4 104 104 A L H X S+ 0 0 15 -4,-1.5 4,-1.4 2,-0.2 3,-0.3 0.955 110.9 47.3 -61.8 -53.6 57.0 18.5 9.7 105 105 A E H X S+ 0 0 74 -4,-3.5 4,-2.8 1,-0.2 5,-0.2 0.876 112.1 49.6 -55.4 -46.3 56.7 14.8 10.0 106 106 A M H X S+ 0 0 3 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.783 104.2 59.0 -66.4 -31.3 54.5 15.0 13.1 107 107 A A H X>S+ 0 0 0 -4,-1.6 4,-0.7 -3,-0.3 5,-0.6 0.858 113.9 38.9 -67.2 -34.5 52.2 17.6 11.5 108 108 A I H ><5S+ 0 0 20 -4,-1.4 3,-0.9 -3,-0.2 -2,-0.2 0.971 118.4 44.9 -77.6 -60.4 51.4 15.1 8.8 109 109 A K H 3<5S+ 0 0 137 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.816 104.6 68.4 -52.3 -34.8 51.3 11.9 10.9 110 110 A S H 3<5S- 0 0 18 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.875 90.6-143.0 -55.3 -47.0 49.2 13.8 13.5 111 111 A G T <<5 + 0 0 56 -3,-0.9 -3,-0.1 -4,-0.7 -2,-0.1 0.712 64.5 118.8 86.5 21.3 46.1 14.1 11.3 112 112 A L < + 0 0 56 -5,-0.6 2,-0.3 -4,-0.1 -4,-0.1 0.526 68.8 47.8 -95.1 -7.3 45.2 17.6 12.6 113 113 A Y - 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