==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-AUG-98 1BQI . COMPND 2 MOLECULE: PAPAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CARICA PAPAYA; . AUTHOR J.M.LALONDE,B.ZHAO,W.W.SMITH,C.A.JANSON,R.L.DESJARLAIS, . 212 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9887.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 59.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 17.0 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 . 2 0.9 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 . 1 0.5 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 . 14 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 17.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 1 1 1 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 5 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 I 0 0 123 0, 0.0 122,-0.1 0, 0.0 121,-0.0 0.000 360.0 360.0 360.0 150.2 -14.0 57.7 -31.3 2 2 A P - 0 0 78 0, 0.0 3,-0.1 0, 0.0 124,-0.0 -0.198 360.0-119.3 -71.8 166.3 -12.9 56.0 -34.5 3 3 A E S S+ 0 0 150 1,-0.1 2,-0.3 164,-0.0 0, 0.0 0.899 98.0 31.6 -66.7 -51.9 -14.5 53.1 -36.4 4 4 A Y + 0 0 138 163,-0.1 2,-0.3 161,-0.0 163,-0.2 -0.887 62.2 178.6-112.1 152.5 -11.4 50.9 -36.1 5 5 A V E +A 166 0A 19 161,-2.3 161,-1.6 -2,-0.3 2,-0.2 -0.977 7.2 168.1-152.3 126.1 -8.9 50.6 -33.3 6 6 A D E > -A 165 0A 40 -2,-0.3 3,-1.9 159,-0.2 159,-0.2 -0.768 15.7-165.3-143.4 95.2 -5.9 48.1 -33.2 7 7 A W G > >S+ 0 0 35 157,-2.7 3,-2.1 1,-0.3 5,-1.4 0.815 81.8 73.6 -54.9 -26.6 -3.5 49.0 -30.5 8 8 A R G > 5S+ 0 0 98 156,-0.3 3,-1.1 1,-0.3 5,-0.3 0.806 91.9 54.1 -60.1 -30.1 -0.9 46.7 -32.0 9 9 A Q G < 5S+ 0 0 158 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.361 98.8 63.4 -88.6 10.1 -0.2 49.1 -34.9 10 10 A K G < 5S- 0 0 133 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.167 115.8-112.9-109.5 11.1 0.5 51.9 -32.4 11 11 A G T < 5S+ 0 0 36 -3,-1.1 -3,-0.2 1,-0.1 -2,-0.1 0.766 86.2 119.8 59.5 30.6 3.5 49.9 -31.1 12 12 A A < + 0 0 1 -5,-1.4 2,-0.4 1,-0.1 -4,-0.2 0.246 53.2 64.3-110.2 9.9 1.6 49.6 -27.8 13 13 A V - 0 0 20 -5,-0.3 -2,-0.1 -6,-0.2 32,-0.1 -0.999 65.3-144.2-142.1 136.0 1.3 45.8 -27.4 14 14 A T - 0 0 6 -2,-0.4 3,-0.1 1,-0.2 -2,-0.0 -0.413 39.5 -63.8 -91.9 166.0 3.8 43.1 -26.8 15 15 A P - 0 0 90 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.067 62.6 -87.6 -47.4 157.4 4.1 39.4 -28.0 16 16 A V - 0 0 25 168,-0.2 2,-0.2 161,-0.0 163,-0.2 -0.533 43.9-156.9 -74.1 125.5 1.6 36.8 -27.0 17 17 A K - 0 0 20 -2,-0.3 161,-1.4 161,-0.1 2,-0.3 -0.594 7.1-138.3 -96.1 166.0 2.5 35.1 -23.7 18 18 A N B -I 177 0B 93 159,-0.2 159,-0.2 -2,-0.2 158,-0.0 -0.910 4.6-157.0-120.9 147.0 1.3 31.6 -22.6 19 19 A Q > - 0 0 20 157,-1.3 3,-0.7 -2,-0.3 5,-0.2 0.656 21.4-157.3-103.1 -15.4 0.2 31.0 -19.0 20 20 A G T 3 - 0 0 44 156,-0.2 4,-0.3 1,-0.2 -1,-0.1 -0.047 58.9 -30.5 65.6-175.8 0.7 27.3 -18.5 21 21 A S T 3 S+ 0 0 141 2,-0.1 -1,-0.2 3,-0.1 2,-0.1 0.706 109.5 107.3 -45.4 -25.0 -1.2 25.3 -15.9 22 22 A a S < S- 0 0 5 -3,-0.7 2,-2.0 68,-0.2 3,-0.3 -0.306 74.7-133.7 -64.9 137.3 -1.3 28.3 -13.6 23 23 A G B +j 64 0C 17 40,-1.0 42,-0.6 1,-0.2 3,-0.3 -0.296 65.5 130.7 -83.1 55.0 -4.6 30.2 -13.1 24 24 A S >> + 0 0 0 -2,-2.0 3,-1.9 -4,-0.3 4,-1.6 0.419 21.3 117.1 -87.7 -5.7 -2.5 33.4 -13.7 25 25 A C H 3> S+ 0 0 15 -3,-0.3 4,-3.1 1,-0.3 5,-0.2 0.822 71.3 57.9 -30.2 -54.0 -4.9 34.9 -16.3 26 26 A W H 3> S+ 0 0 1 -3,-0.3 4,-2.8 1,-0.2 -1,-0.3 0.862 108.3 46.2 -48.8 -45.0 -5.7 37.9 -14.0 27 27 A A H <> S+ 0 0 0 -3,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.973 112.4 48.9 -63.9 -53.4 -2.0 38.8 -13.9 28 28 A F H X S+ 0 0 9 -4,-1.6 4,-1.5 1,-0.2 -2,-0.2 0.870 114.1 49.4 -53.7 -36.7 -1.6 38.3 -17.7 29 29 A S H X S+ 0 0 2 -4,-3.1 4,-1.1 -5,-0.3 3,-0.3 0.965 111.6 45.3 -67.3 -57.2 -4.7 40.5 -18.1 30 30 A A H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.835 110.5 56.2 -57.9 -33.2 -3.6 43.3 -15.8 31 31 A V H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.904 98.9 57.9 -69.9 -39.6 -0.1 43.4 -17.3 32 32 A V H X S+ 0 0 14 -4,-1.5 4,-1.7 -3,-0.3 -1,-0.2 0.860 108.4 48.6 -58.4 -34.9 -1.3 44.0 -20.9 33 33 A T H X S+ 0 0 0 -4,-1.1 4,-3.3 2,-0.2 -1,-0.2 0.942 110.7 48.8 -74.1 -42.6 -3.0 47.1 -19.8 34 34 A I H X S+ 0 0 1 -4,-1.8 4,-2.2 2,-0.2 5,-0.3 0.954 110.8 50.5 -61.2 -48.1 0.0 48.4 -17.9 35 35 A E H X S+ 0 0 2 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.922 115.8 45.3 -55.3 -42.0 2.3 47.8 -20.8 36 36 A G H X S+ 0 0 0 -4,-1.7 4,-2.2 -5,-0.3 -2,-0.2 0.940 109.6 49.9 -69.2 -50.3 -0.2 49.7 -23.0 37 37 A I H X S+ 0 0 3 -4,-3.3 4,-1.8 1,-0.2 -2,-0.2 0.945 112.2 49.4 -56.0 -45.1 -0.9 52.7 -20.8 38 38 A I H X>S+ 0 0 8 -4,-2.2 4,-3.5 2,-0.2 5,-0.7 0.851 110.6 47.7 -61.7 -44.1 2.8 53.4 -20.3 39 39 A K H <5S+ 0 0 62 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.890 111.4 53.1 -63.8 -40.4 3.8 53.2 -24.0 40 40 A I H <5S+ 0 0 48 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.861 122.5 30.1 -60.1 -38.6 0.8 55.5 -24.6 41 41 A R H <5S+ 0 0 119 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.936 131.8 26.1 -82.3 -65.9 2.2 57.9 -22.0 42 42 A T T <5S- 0 0 89 -4,-3.5 -3,-0.2 2,-0.2 -2,-0.1 0.924 94.9-118.7 -69.7 -56.1 6.0 57.6 -22.1 43 43 A G S + 0 0 1 32,-2.1 4,-0.9 -2,-0.2 32,-0.2 -0.652 33.1 172.0 -88.9 112.9 5.9 40.9 -14.6 50 50 A E H >> S+ 0 0 3 -2,-0.8 4,-2.5 1,-0.2 3,-0.5 0.894 86.8 59.9 -74.0 -39.6 2.9 38.7 -14.3 51 51 A Q H 3> S+ 0 0 0 35,-0.3 4,-2.0 1,-0.2 5,-0.2 0.854 98.5 60.8 -57.1 -33.3 4.8 36.6 -11.7 52 52 A E H 3> S+ 0 0 10 34,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.893 109.1 38.3 -63.8 -43.8 5.0 39.7 -9.6 53 53 A L H - 0 0 127 4,-1.5 3,-2.7 1,-0.4 -38,-0.1 -0.146 34.2-130.6-130.2 41.2 -5.6 33.3 -5.2 62 62 A G T 3 S- 0 0 1 -5,-0.3 -1,-0.4 1,-0.3 3,-0.2 -0.218 89.1 -0.7 50.0-127.6 -2.3 32.6 -6.9 63 63 A a T 3 S+ 0 0 42 1,-0.2 -40,-1.0 -3,-0.1 -1,-0.3 0.365 124.9 77.8 -75.5 11.9 -2.7 29.9 -9.5 64 64 A N B < S-j 23 0C 134 -3,-2.7 -1,-0.2 1,-0.4 -2,-0.1 -0.490 112.8 -86.0-115.2 57.4 -6.4 29.7 -8.4 65 65 A G - 0 0 25 -42,-0.6 -4,-1.5 -2,-0.3 -1,-0.4 0.381 52.6-166.5 60.2 163.1 -7.7 32.7 -10.3 66 66 A G - 0 0 20 -6,-0.2 -6,-0.1 -5,-0.1 -40,-0.1 -0.941 27.6 -78.6-166.2-172.2 -7.7 36.2 -9.0 67 67 A Y >> - 0 0 83 -2,-0.3 3,-2.6 1,-0.1 4,-1.9 -0.839 21.6-160.7-112.2 102.5 -8.9 39.8 -9.4 68 68 A P H 3> S+ 0 0 12 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.690 93.7 60.4 -53.1 -18.6 -7.3 42.0 -12.1 69 69 A W H 34 S+ 0 0 90 2,-0.2 4,-0.1 3,-0.2 139,-0.0 0.727 107.6 44.5 -81.0 -23.5 -8.7 45.1 -10.3 70 70 A S H X> S+ 0 0 2 -3,-2.6 4,-3.2 2,-0.2 3,-0.8 0.906 114.1 47.1 -82.7 -47.5 -6.7 44.2 -7.2 71 71 A A H 3X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.3 -2,-0.2 0.913 113.4 50.8 -57.5 -40.6 -3.5 43.3 -9.0 72 72 A L H 3< S+ 0 0 0 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.702 109.4 50.6 -68.6 -21.5 -4.0 46.6 -10.9 73 73 A Q H X> S+ 0 0 76 -3,-0.8 3,-2.4 2,-0.1 4,-1.6 0.896 105.0 57.9 -79.0 -42.2 -4.4 48.2 -7.5 74 74 A L H >X S+ 0 0 17 -4,-3.2 4,-1.2 1,-0.3 3,-0.8 0.940 102.9 51.8 -49.7 -55.7 -1.2 46.6 -6.4 75 75 A V H 3< S+ 0 0 0 -4,-2.2 32,-2.4 1,-0.3 -1,-0.3 0.417 108.2 55.9 -66.3 6.4 0.7 48.3 -9.3 76 76 A A H <4 S+ 0 0 20 -3,-2.4 -1,-0.3 30,-0.2 -2,-0.2 0.752 109.3 41.2-104.7 -37.4 -0.8 51.5 -8.0 77 77 A Q H << S- 0 0 125 -4,-1.6 -2,-0.2 -3,-0.8 -3,-0.1 0.976 141.4 -2.0 -71.5 -77.1 0.4 51.4 -4.4 78 78 A Y S < S- 0 0 109 -4,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.957 97.2-125.2 -75.8 -84.1 4.0 50.1 -5.1 79 79 A G - 0 0 5 -5,-0.3 2,-0.3 27,-0.1 27,-0.3 -0.969 20.3 -80.3 160.6-163.7 4.6 49.4 -8.8 80 80 A I B -L 105 0E 0 25,-3.1 25,-1.9 -2,-0.3 24,-1.5 -0.951 28.8-132.1-134.2 153.1 5.7 46.7 -11.2 81 81 A H - 0 0 6 -2,-0.3 -32,-2.1 22,-0.2 -29,-0.1 -0.751 33.4 -94.7-104.1 154.3 9.0 45.2 -12.4 82 82 A Y B > -K 48 0D 101 -2,-0.3 4,-1.5 -34,-0.2 -34,-0.3 -0.023 38.1-112.9 -56.0 165.5 10.3 44.5 -15.9 83 83 A R T 4 S+ 0 0 54 -36,-1.9 -35,-0.1 2,-0.2 -1,-0.1 0.907 115.1 48.0 -74.0 -42.4 9.7 40.9 -17.1 84 84 A N T 4 S+ 0 0 149 -37,-0.3 -1,-0.2 1,-0.2 -36,-0.1 0.916 109.2 56.9 -63.8 -40.7 13.4 39.9 -17.2 85 85 A T T 4 S+ 0 0 56 1,-0.3 -1,-0.2 2,-0.0 -2,-0.2 0.908 127.1 15.7 -55.3 -46.9 13.9 41.3 -13.7 86 86 A Y S < S- 0 0 0 -4,-1.5 -34,-0.3 -5,-0.0 -35,-0.3 -0.435 92.5-164.9-131.4 65.2 11.2 39.1 -12.2 87 87 A P - 0 0 62 0, 0.0 2,-0.6 0, 0.0 -3,-0.1 0.161 27.8 -92.8 -47.8 159.8 10.6 36.4 -14.9 88 88 A Y + 0 0 52 1,-0.2 -5,-0.0 2,-0.1 -39,-0.0 -0.687 40.4 168.9 -87.2 115.8 7.5 34.0 -15.0 89 89 A E - 0 0 66 -2,-0.6 -1,-0.2 2,-0.3 3,-0.1 0.693 41.5-132.9 -93.9 -29.4 8.0 30.7 -13.2 90 90 A G S S+ 0 0 21 1,-0.3 2,-0.3 -70,-0.1 -68,-0.2 0.739 77.2 86.2 82.2 21.7 4.3 29.8 -13.3 91 91 A V S S- 0 0 69 -69,-0.1 2,-0.6 -70,-0.0 -1,-0.3 -0.942 87.8-103.6-144.3 152.5 4.1 28.7 -9.7 92 92 A Q + 0 0 102 -2,-0.3 2,-0.3 -3,-0.1 -37,-0.1 -0.847 47.1 167.4 -94.9 126.8 3.4 31.0 -6.8 93 93 A R - 0 0 110 -2,-0.6 3,-0.2 -42,-0.2 -4,-0.0 -0.784 44.8 -64.9-132.6 150.1 6.5 31.7 -4.8 94 94 A Y - 0 0 152 -2,-0.3 2,-2.2 1,-0.2 -1,-0.2 0.061 62.0 -80.8 -50.8 158.7 6.9 34.3 -2.3 95 95 A b + 0 0 62 -40,-0.3 2,-1.0 1,-0.2 3,-0.3 -0.284 48.4 173.0 -64.3 78.3 6.8 38.1 -2.8 96 96 A R + 0 0 31 -2,-2.2 -1,-0.2 1,-0.2 -44,-0.1 0.014 37.7 120.0 -75.8 35.5 10.3 38.9 -4.1 97 97 A S S > S+ 0 0 18 -2,-1.0 3,-2.1 1,-0.2 -1,-0.2 0.981 75.7 30.6 -62.2 -81.3 9.3 42.5 -4.8 98 98 A R G > S+ 0 0 240 1,-0.3 3,-2.0 -3,-0.3 -1,-0.2 0.755 109.2 70.4 -46.9 -38.1 11.7 44.7 -2.7 99 99 A E G 3 S+ 0 0 120 1,-0.3 -1,-0.3 -4,-0.3 -2,-0.2 0.453 96.2 57.2 -62.4 0.2 14.4 42.1 -3.0 100 100 A K G < S- 0 0 71 -3,-2.1 -1,-0.3 1,-0.4 -2,-0.2 0.318 108.3-119.3-115.5 0.6 14.6 43.1 -6.7 101 101 A G < - 0 0 41 -3,-2.0 -1,-0.4 -4,-0.1 2,-0.3 -0.631 63.6 -3.1 99.7-158.5 15.3 46.8 -6.3 102 102 A P S S- 0 0 123 0, 0.0 -23,-0.0 0, 0.0 -4,-0.0 -0.613 80.6-104.3 -81.5 129.6 13.4 49.8 -7.5 103 103 A Y - 0 0 128 -2,-0.3 -22,-0.2 1,-0.1 3,-0.1 -0.161 16.9-131.2 -50.7 148.7 10.2 49.1 -9.5 104 104 A A S S- 0 0 31 -24,-1.5 2,-0.3 1,-0.2 -23,-0.2 0.811 82.2 -12.9 -71.4 -38.3 10.2 49.6 -13.3 105 105 A A B -L 80 0E 17 -25,-1.9 -25,-3.1 -23,-0.0 2,-0.3 -0.987 55.0-158.5-161.0 161.3 6.9 51.6 -13.3 106 106 A K - 0 0 71 -2,-0.3 2,-0.3 -27,-0.3 -30,-0.2 -0.989 16.7-137.2-143.4 146.1 4.0 52.6 -11.1 107 107 A T - 0 0 1 -32,-2.4 104,-0.2 -2,-0.3 3,-0.1 -0.840 13.4-132.2-111.6 151.3 0.5 53.9 -12.1 108 108 A D S S- 0 0 76 102,-0.9 2,-0.3 -2,-0.3 103,-0.2 0.710 76.9 -23.9 -66.8 -29.4 -1.7 56.6 -10.6 109 109 A G E -B 210 0A 14 101,-1.5 101,-2.6 -34,-0.1 2,-0.3 -0.996 47.2-116.9-172.0 178.1 -4.9 54.6 -10.4 110 110 A V E -B 209 0A 45 -2,-0.3 2,-0.3 99,-0.3 -41,-0.1 -0.813 33.0-170.1-122.5 160.8 -7.3 51.8 -11.3 111 111 A R E -B 208 0A 147 97,-0.6 97,-1.5 -2,-0.3 2,-0.4 -0.999 19.0-131.2-156.8 157.9 -10.8 52.2 -12.7 112 112 A Q E -B 207 0A 115 -2,-0.3 2,-0.3 95,-0.2 95,-0.2 -0.931 15.5-142.6-116.7 134.0 -14.1 50.5 -13.6 113 113 A V E -B 206 0A 8 93,-3.1 93,-0.5 -2,-0.4 8,-0.1 -0.731 43.3 -93.6 -87.6 136.4 -15.9 50.8 -16.9 114 114 A Q - 0 0 127 -2,-0.3 3,-0.4 1,-0.1 7,-0.3 -0.391 55.0-126.3 -53.9 120.8 -19.8 50.9 -16.5 115 115 A P S S+ 0 0 45 0, 0.0 89,-0.2 0, 0.0 -1,-0.1 -0.233 80.8 26.1 -73.1 161.0 -20.7 47.2 -16.9 116 116 A Y S S+ 0 0 113 87,-2.6 2,-0.2 81,-0.2 88,-0.1 0.888 95.7 110.7 54.0 42.3 -23.2 45.6 -19.2 117 117 A N >> - 0 0 59 -3,-0.4 4,-1.7 86,-0.2 3,-0.6 -0.752 50.8-167.8-148.8 95.5 -22.7 48.4 -21.6 118 118 A Q T 34 S+ 0 0 40 -2,-0.2 4,-0.3 1,-0.2 -1,-0.1 0.619 87.8 61.5 -58.2 -11.9 -20.9 47.8 -24.9 119 119 A G T >> S+ 0 0 42 2,-0.2 4,-1.9 3,-0.1 3,-0.7 0.906 102.0 45.0 -83.8 -43.9 -20.7 51.5 -25.4 120 120 A A H <> S+ 0 0 25 -3,-0.6 4,-2.8 1,-0.2 3,-0.2 0.956 109.2 59.1 -62.4 -47.1 -18.6 52.5 -22.4 121 121 A L H 3X S+ 0 0 3 -4,-1.7 4,-1.4 -7,-0.3 -1,-0.2 0.687 107.9 46.6 -55.7 -21.3 -16.3 49.5 -23.2 122 122 A L H <> S+ 0 0 15 -3,-0.7 4,-2.0 -4,-0.3 -1,-0.3 0.833 107.2 54.3 -91.4 -35.3 -15.7 51.1 -26.6 123 123 A Y H < S+ 0 0 150 -4,-1.9 -2,-0.2 -3,-0.2 -3,-0.1 0.957 114.0 44.6 -59.0 -45.6 -15.0 54.6 -25.3 124 124 A S H >X S+ 0 0 12 -4,-2.8 3,-2.9 1,-0.2 4,-1.5 0.966 107.3 54.2 -64.8 -51.9 -12.4 53.1 -23.0 125 125 A I H 3< S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.878 99.7 66.2 -53.7 -35.1 -10.7 50.8 -25.5 126 126 A A T 3< S+ 0 0 22 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.391 106.9 40.7 -70.6 8.6 -10.2 53.9 -27.7 127 127 A N T <4 S- 0 0 86 -3,-2.9 -1,-0.2 1,-0.5 -2,-0.2 0.682 131.8 -28.7-117.1 -49.3 -7.9 55.3 -25.1 128 128 A Q S < S- 0 0 15 -4,-1.5 -1,-0.5 35,-0.1 -95,-0.1 -0.968 78.2 -71.1-163.1 164.5 -5.8 52.2 -24.0 129 129 A P - 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