==== 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 HYDROLASE/HYDROLASE INHIBITOR 30-NOV-01 1KHP . COMPND 2 MOLECULE: PAPAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CARICA PAPAYA; . AUTHOR R.JANOWSKI,M.KOZAK,E.JANKOWSKA,Z.GRZONKA,M.JASKOLSKI . 215 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9747.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 17.7 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 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 20.5 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 0 1 0 0 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 . 6 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 0 119 0, 0.0 122,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 153.6 -4.8 -13.3 26.7 2 2 A P - 0 0 79 0, 0.0 3,-0.1 0, 0.0 124,-0.0 -0.159 360.0-114.5 -75.5 167.0 -3.3 -11.4 29.7 3 3 A E S S+ 0 0 148 1,-0.1 2,-0.4 165,-0.0 0, 0.0 0.836 100.9 33.5 -71.9 -30.6 -4.6 -8.2 31.1 4 4 A Y + 0 0 144 163,-0.1 2,-0.3 164,-0.1 163,-0.2 -0.979 62.1 177.4-126.8 142.7 -1.4 -6.3 30.0 5 5 A V E +A 166 0A 10 161,-2.5 161,-2.0 -2,-0.4 2,-0.3 -0.991 5.1 168.5-139.4 133.8 0.9 -6.7 27.1 6 6 A D E >> -A 165 0A 25 -2,-0.3 3,-1.2 159,-0.2 4,-0.8 -0.800 17.2-166.7-145.2 105.2 3.9 -4.6 26.2 7 7 A W T 34>S+ 0 0 20 157,-3.1 5,-2.3 -2,-0.3 6,-0.4 0.663 86.3 71.0 -66.9 -16.1 6.3 -5.8 23.5 8 8 A R T >45S+ 0 0 99 156,-0.3 3,-1.4 1,-0.2 5,-0.3 0.908 97.2 48.7 -62.7 -42.4 8.8 -3.2 24.7 9 9 A Q T <45S+ 0 0 159 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.722 106.2 57.8 -73.6 -20.7 9.5 -5.2 27.9 10 10 A K T 3<5S- 0 0 105 -4,-0.8 -1,-0.3 1,-0.0 -2,-0.2 0.281 116.2-113.7 -92.9 11.8 9.9 -8.4 25.9 11 11 A G T < 5S+ 0 0 33 -3,-1.4 -3,-0.2 1,-0.1 -2,-0.1 0.721 84.4 115.6 69.8 28.8 12.8 -6.8 23.8 12 12 A A < + 0 0 1 -5,-2.3 2,-0.5 33,-0.1 -4,-0.2 0.260 53.8 79.1-115.5 9.0 10.9 -6.8 20.5 13 13 A V - 0 0 21 -6,-0.4 3,-0.1 -5,-0.3 -2,-0.1 -0.977 64.2-149.6-121.7 129.8 10.6 -3.0 19.9 14 14 A T - 0 0 4 -2,-0.5 3,-0.1 1,-0.2 -2,-0.1 -0.387 43.7 -65.4 -86.4 169.3 13.5 -0.9 18.5 15 15 A P - 0 0 91 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.096 60.0 -92.8 -52.2 151.9 13.9 2.8 19.4 16 16 A V - 0 0 25 168,-0.2 2,-0.2 -3,-0.1 163,-0.2 -0.433 46.5-156.4 -66.1 137.6 11.4 5.4 18.3 17 17 A K - 0 0 23 158,-0.4 161,-2.1 161,-0.2 2,-0.5 -0.684 13.5-129.1-114.1 170.7 12.2 7.1 15.0 18 18 A N B -I 177 0B 96 159,-0.2 159,-0.2 -2,-0.2 3,-0.1 -0.960 7.9-167.0-122.4 113.1 11.3 10.4 13.2 19 19 A Q - 0 0 10 157,-2.8 158,-0.1 -2,-0.5 -1,-0.1 0.732 30.7-160.4 -71.5 -20.3 10.0 10.1 9.6 20 20 A G - 0 0 43 156,-0.4 2,-1.2 1,-0.1 -1,-0.2 -0.397 53.9 -23.6 71.7-151.8 10.6 13.9 9.3 21 21 A S S S+ 0 0 129 -3,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.705 109.7 94.5-100.3 83.3 8.8 15.7 6.5 22 22 A a S S- 0 0 9 -2,-1.2 2,-2.4 194,-0.2 42,-0.1 -0.822 79.5-122.2-162.9 123.6 8.1 12.9 4.1 23 23 A G + 0 0 16 40,-2.3 42,-0.4 -2,-0.3 3,-0.3 -0.368 67.4 128.9 -75.0 68.2 4.8 11.0 4.3 24 24 A S >> + 0 0 0 -2,-2.4 4,-2.0 1,-0.2 3,-1.3 0.069 21.0 120.9-108.2 16.3 6.4 7.5 4.9 25 25 A C H 3> S+ 0 0 0 191,-1.6 4,-2.6 1,-0.3 5,-0.3 0.926 71.7 61.0 -53.7 -28.8 4.3 6.5 7.9 26 26 A W H 3> S+ 0 0 0 189,-0.6 4,-1.6 1,-0.3 -1,-0.3 0.852 107.3 45.0 -68.3 -33.7 3.2 3.4 6.0 27 27 A A H <> S+ 0 0 0 -3,-1.3 4,-2.1 2,-0.2 -1,-0.3 0.909 112.1 48.9 -78.5 -42.6 6.8 2.3 5.7 28 28 A F H X S+ 0 0 6 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.868 110.4 53.1 -59.5 -40.6 7.7 3.0 9.3 29 29 A S H X S+ 0 0 2 -4,-2.6 4,-1.4 -5,-0.2 -1,-0.2 0.926 108.8 49.4 -58.3 -48.7 4.6 1.1 10.5 30 30 A A H X S+ 0 0 0 -4,-1.6 4,-1.6 -5,-0.3 3,-0.3 0.914 108.1 53.2 -62.0 -46.3 5.5 -1.9 8.4 31 31 A V H X S+ 0 0 0 -4,-2.1 4,-3.2 1,-0.2 5,-0.4 0.889 101.4 59.2 -58.4 -43.4 9.1 -2.1 9.7 32 32 A V H X S+ 0 0 14 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.913 108.5 45.8 -54.3 -44.7 8.0 -2.1 13.4 33 33 A T H X S+ 0 0 0 -4,-1.4 4,-2.7 -3,-0.3 -1,-0.2 0.872 112.6 49.6 -66.3 -35.0 6.0 -5.2 12.7 34 34 A I H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 5,-0.3 0.959 111.1 48.5 -69.2 -46.3 8.9 -6.9 10.8 35 35 A E H X S+ 0 0 2 -4,-3.2 4,-1.5 1,-0.2 11,-0.2 0.917 114.3 51.6 -55.0 -43.7 11.4 -6.0 13.6 36 36 A G H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.4 -2,-0.2 0.967 111.1 41.4 -57.1 -57.3 8.8 -7.5 16.0 37 37 A I H X S+ 0 0 3 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.860 111.2 55.6 -69.6 -33.2 8.2 -10.8 14.3 38 38 A I H X S+ 0 0 8 -4,-2.5 4,-2.4 -5,-0.2 6,-0.5 0.911 109.7 48.5 -63.8 -38.1 11.8 -11.5 13.5 39 39 A K H X S+ 0 0 54 -4,-1.5 4,-2.2 -5,-0.3 -2,-0.2 0.951 108.9 52.6 -65.6 -43.4 12.6 -11.1 17.2 40 40 A I H < S+ 0 0 50 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.898 118.3 36.7 -61.4 -39.2 9.8 -13.3 18.3 41 41 A R H < S+ 0 0 127 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.822 130.6 23.2 -83.0 -37.6 11.0 -16.1 16.0 42 42 A T H < S- 0 0 72 -4,-2.4 -3,-0.2 2,-0.2 -2,-0.2 0.409 95.6-122.2-111.4 -5.6 14.8 -16.0 16.1 43 43 A G S < S+ 0 0 48 -4,-2.2 2,-0.5 -5,-0.3 -4,-0.2 0.362 75.4 113.1 79.0 -3.8 15.4 -14.2 19.4 44 44 A N - 0 0 99 -6,-0.5 2,-0.5 -5,-0.0 -2,-0.2 -0.872 55.7-147.6-113.3 133.4 17.3 -11.3 17.8 45 45 A L + 0 0 67 -2,-0.5 2,-0.3 -6,-0.1 -9,-0.1 -0.821 27.5 164.4 -97.6 124.0 16.3 -7.7 17.6 46 46 A N - 0 0 52 -2,-0.5 2,-0.4 -11,-0.2 -32,-0.1 -0.970 34.6-120.1-136.1 154.7 17.4 -5.8 14.6 47 47 A E - 0 0 58 -2,-0.3 36,-1.9 -13,-0.0 37,-0.4 -0.773 29.8-156.1 -92.1 138.5 16.5 -2.6 12.8 48 48 A Y B -J 82 0C 4 -2,-0.4 2,-0.7 34,-0.3 34,-0.2 -0.769 25.0 -89.6-116.1 163.8 15.3 -2.7 9.3 49 49 A S > + 0 0 0 32,-2.3 4,-0.9 -2,-0.3 32,-0.1 -0.536 30.0 176.0 -77.6 110.4 15.3 -0.3 6.5 50 50 A E H > S+ 0 0 3 -2,-0.7 4,-2.4 1,-0.2 3,-0.4 0.889 86.0 62.4 -70.7 -36.5 12.2 2.0 6.0 51 51 A Q H > S+ 0 0 0 35,-0.4 4,-2.2 1,-0.2 42,-0.2 0.855 95.8 58.1 -55.4 -39.5 14.1 3.7 3.2 52 52 A E H > S+ 0 0 6 34,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.891 109.1 43.9 -60.6 -44.0 14.2 0.5 1.2 53 53 A L H X S+ 0 0 4 -4,-0.9 4,-2.1 -3,-0.4 -1,-0.2 0.907 110.1 56.7 -65.7 -43.4 10.3 0.2 1.2 54 54 A L H < S+ 0 0 0 -4,-2.4 8,-0.2 1,-0.2 -2,-0.2 0.911 116.4 35.3 -53.9 -42.4 10.0 3.9 0.5 55 55 A D H < S+ 0 0 13 -4,-2.2 40,-0.5 -5,-0.2 -1,-0.2 0.647 124.4 38.4 -85.0 -23.3 12.1 3.5 -2.7 56 56 A b H < S+ 0 0 32 -4,-1.5 2,-1.2 -5,-0.2 -3,-0.2 0.680 81.8 96.1-107.7 -24.2 11.0 0.1 -3.9 57 57 A D >< - 0 0 4 -4,-2.1 3,-0.8 -5,-0.2 5,-0.4 -0.618 49.9-172.3 -77.9 105.0 7.3 -0.3 -3.3 58 58 A R T 3 S+ 0 0 245 -2,-1.2 -1,-0.2 1,-0.2 -4,-0.0 0.558 79.5 59.6 -71.8 -14.2 5.8 0.6 -6.6 59 59 A R T 3 S+ 0 0 160 8,-0.1 -1,-0.2 11,-0.1 2,-0.1 0.701 99.2 71.8 -87.0 -22.5 2.2 0.5 -5.4 60 60 A S S < S- 0 0 9 -3,-0.8 6,-0.3 -7,-0.2 3,-0.1 -0.396 82.7-125.5 -92.2 171.1 3.0 3.2 -2.9 61 61 A Y > - 0 0 113 4,-2.8 3,-2.6 1,-0.3 5,-0.2 -0.062 32.7-134.7-112.0 32.8 3.7 6.9 -3.5 62 62 A G G > S- 0 0 0 -5,-0.4 3,-1.2 1,-0.3 -1,-0.3 -0.303 86.3 -0.9 53.6-119.8 7.0 7.4 -1.7 63 63 A a G 3 S+ 0 0 36 1,-0.3 -40,-2.3 -3,-0.1 -1,-0.3 0.485 129.1 68.6 -82.6 0.2 6.8 10.6 0.4 64 64 A N G < S- 0 0 133 -3,-2.6 -1,-0.3 1,-0.4 -2,-0.2 0.411 116.4 -85.0 -96.8 2.5 3.3 11.2 -0.8 65 65 A G < - 0 0 0 -3,-1.2 -4,-2.8 -42,-0.4 -1,-0.4 -0.501 49.2-177.0 119.1 171.4 1.9 8.3 1.1 66 66 A G B -K 215 0D 0 149,-1.4 149,-0.8 -6,-0.3 -40,-0.1 -0.960 31.9 -73.0 179.8-167.0 1.4 4.5 0.6 67 67 A Y >> - 0 0 44 -2,-0.3 4,-1.7 1,-0.1 3,-1.1 -0.949 16.8-154.6-124.8 119.1 0.0 1.2 2.0 68 68 A P H 3> S+ 0 0 5 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.871 100.4 58.1 -61.7 -31.8 1.5 -0.7 4.9 69 69 A W H 3> S+ 0 0 74 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.869 103.3 51.7 -67.5 -28.6 -0.0 -3.8 3.5 70 70 A S H <> S+ 0 0 7 -3,-1.1 4,-1.3 2,-0.2 -1,-0.2 0.861 110.4 50.5 -70.0 -35.0 1.9 -3.4 0.1 71 71 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 3,-0.3 0.936 107.3 51.7 -68.8 -46.3 5.1 -3.0 2.0 72 72 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.3 3,-0.4 0.936 108.2 51.2 -60.2 -46.4 4.5 -6.1 4.0 73 73 A Q H X S+ 0 0 92 -4,-2.0 4,-3.1 1,-0.2 -1,-0.3 0.812 106.5 55.9 -58.4 -32.4 3.9 -8.2 0.9 74 74 A L H X>S+ 0 0 38 -4,-1.3 4,-2.7 -3,-0.3 5,-1.2 0.883 107.3 49.1 -66.1 -36.1 7.1 -6.8 -0.6 75 75 A V H <5S+ 0 0 0 -4,-1.9 32,-1.4 -3,-0.4 -2,-0.2 0.851 114.0 46.4 -72.3 -30.1 8.9 -8.2 2.5 76 76 A A H <5S+ 0 0 14 -4,-1.9 -2,-0.2 30,-0.2 -1,-0.2 0.920 117.7 41.1 -73.6 -46.0 7.2 -11.5 2.0 77 77 A Q H <5S+ 0 0 131 -4,-3.1 -2,-0.2 -5,-0.1 -3,-0.2 0.912 139.1 1.2 -67.8 -43.9 7.9 -11.7 -1.7 78 78 A Y T <5S- 0 0 133 -4,-2.7 2,-0.3 -5,-0.2 -3,-0.2 0.803 91.5-121.0-113.8 -66.8 11.5 -10.4 -1.6 79 79 A G < - 0 0 6 -5,-1.2 2,-0.3 27,-0.1 27,-0.2 -0.948 20.1-105.5 146.9-166.6 12.9 -9.5 1.8 80 80 A I B -L 105 0E 0 25,-1.8 24,-2.0 -2,-0.3 25,-1.7 -0.977 20.5-127.5-156.5 152.1 14.4 -6.4 3.4 81 81 A H - 0 0 6 -2,-0.3 -32,-2.3 22,-0.2 -29,-0.1 -0.555 37.5 -85.0 -98.3 164.6 17.8 -5.2 4.4 82 82 A Y B >> -J 48 0C 93 -34,-0.2 4,-1.7 -2,-0.2 3,-0.7 -0.397 33.6-121.5 -62.1 147.2 19.2 -3.8 7.6 83 83 A R T 34 S+ 0 0 47 -36,-1.9 -35,-0.1 1,-0.3 -1,-0.1 0.844 111.9 59.5 -56.5 -39.8 18.7 -0.2 8.4 84 84 A N T 34 S+ 0 0 143 -37,-0.4 -1,-0.3 1,-0.2 -36,-0.1 0.861 109.4 41.5 -59.2 -38.1 22.4 0.3 8.7 85 85 A T T <4 S+ 0 0 56 -3,-0.7 -1,-0.2 1,-0.3 -2,-0.2 0.769 128.5 30.3 -84.4 -23.0 23.0 -0.9 5.1 86 86 A Y S < S- 0 0 1 -4,-1.7 -35,-0.4 -5,-0.0 -34,-0.4 -0.626 89.0-167.3-135.0 73.7 20.1 1.0 3.7 87 87 A P - 0 0 66 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.170 28.5 -92.7 -74.7 157.9 19.6 4.2 5.9 88 88 A Y + 0 0 51 1,-0.1 -39,-0.0 2,-0.1 -5,-0.0 -0.458 38.5 174.8 -74.8 128.2 16.7 6.6 6.0 89 89 A E - 0 0 75 2,-0.2 -1,-0.1 -2,-0.2 3,-0.1 0.599 38.1-127.4-106.0 -19.7 17.1 9.6 3.7 90 90 A G S S+ 0 0 20 1,-0.2 2,-0.3 -70,-0.1 -69,-0.1 0.704 82.0 70.8 79.4 16.3 13.7 11.4 4.1 91 91 A V S S- 0 0 76 -69,-0.1 2,-0.2 -67,-0.0 -2,-0.2 -0.961 87.9-101.4-156.3 153.6 13.0 11.5 0.4 92 92 A Q + 0 0 94 -2,-0.3 2,-0.2 -31,-0.1 -37,-0.1 -0.548 47.6 158.2 -76.3 135.5 12.1 9.0 -2.3 93 93 A R - 0 0 117 -2,-0.2 2,-0.3 -42,-0.2 -1,-0.1 -0.325 48.3 -60.2-125.6-140.4 15.0 8.0 -4.5 94 94 A Y - 0 0 132 -2,-0.2 2,-0.4 1,-0.0 -38,-0.1 -0.769 59.3 -88.1-110.1 159.9 15.4 4.9 -6.6 95 95 A b + 0 0 55 -40,-0.5 3,-0.2 -2,-0.3 -43,-0.1 -0.510 43.1 173.4 -69.1 121.2 15.4 1.3 -5.4 96 96 A R > + 0 0 25 -2,-0.4 3,-0.7 1,-0.1 -1,-0.1 0.130 42.5 114.0-115.8 17.4 19.0 0.3 -4.5 97 97 A S G >> S+ 0 0 11 1,-0.2 3,-2.3 2,-0.2 4,-0.6 0.917 72.8 62.1 -52.7 -44.8 18.2 -3.2 -3.0 98 98 A R G >4 S+ 0 0 229 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.836 104.1 46.2 -51.9 -42.3 20.1 -4.7 -5.8 99 99 A E G <4 S+ 0 0 110 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.208 101.0 68.1 -91.8 18.1 23.4 -3.0 -4.9 100 100 A K G <4 S- 0 0 79 -3,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.548 96.5-132.0-108.5 -13.8 23.1 -3.8 -1.2 101 101 A G << + 0 0 37 -3,-0.7 -1,-0.3 -4,-0.6 3,-0.1 -0.526 58.7 6.1 93.9-165.2 23.6 -7.6 -1.5 102 102 A P S S- 0 0 124 0, 0.0 -23,-0.0 0, 0.0 -4,-0.0 -0.217 80.6-103.9 -55.3 141.4 21.6 -10.3 0.1 103 103 A Y - 0 0 98 -25,-0.1 -22,-0.2 1,-0.1 3,-0.1 -0.284 20.6-142.1 -61.7 148.8 18.4 -9.5 2.0 104 104 A A S S+ 0 0 36 -24,-2.0 2,-0.3 1,-0.2 -23,-0.2 0.819 77.9 5.1 -85.5 -27.6 18.8 -9.6 5.8 105 105 A A B -L 80 0E 15 -25,-1.7 -25,-1.8 -30,-0.0 2,-0.3 -0.980 56.9-166.3-154.8 157.9 15.3 -11.0 6.4 106 106 A K - 0 0 86 -2,-0.3 2,-0.2 -27,-0.2 -30,-0.2 -0.993 11.9-148.0-145.6 140.4 12.2 -12.4 4.7 107 107 A T - 0 0 0 -32,-1.4 104,-0.2 -2,-0.3 3,-0.1 -0.619 15.8-132.1-103.2 177.5 8.7 -13.1 5.9 108 108 A D - 0 0 78 102,-3.3 2,-0.3 1,-0.2 103,-0.2 0.687 68.7 -43.0-103.0 -22.2 6.4 -15.8 4.7 109 109 A G E -B 210 0A 18 101,-1.5 101,-2.2 -37,-0.0 2,-0.3 -0.971 50.5 -99.4-179.3-169.0 3.2 -13.8 4.3 110 110 A V E -B 209 0A 39 -2,-0.3 2,-0.3 99,-0.3 -41,-0.0 -0.987 23.0-169.5-137.6 151.3 0.7 -11.2 5.5 111 111 A R E -B 208 0A 150 97,-2.2 97,-2.3 -2,-0.3 2,-0.4 -0.976 15.6-136.2-140.4 146.5 -2.6 -11.6 7.2 112 112 A Q E -B 207 0A 94 -2,-0.3 95,-0.2 95,-0.2 2,-0.2 -0.884 18.5-126.6-104.3 143.3 -5.3 -9.0 7.9 113 113 A V - 0 0 8 93,-2.4 93,-0.4 -2,-0.4 8,-0.1 -0.592 38.8 -96.4 -81.1 145.4 -7.1 -8.6 11.3 114 114 A Q - 0 0 128 -2,-0.2 3,-0.5 1,-0.1 7,-0.2 -0.483 52.6-123.3 -61.1 124.9 -10.9 -8.7 11.2 115 115 A P S S+ 0 0 55 0, 0.0 89,-0.2 0, 0.0 -1,-0.1 -0.235 81.4 22.9 -79.3 161.8 -11.8 -5.0 11.2 116 116 A Y S S+ 0 0 109 87,-3.0 2,-0.4 81,-0.2 82,-0.1 0.853 93.0 113.6 56.9 40.0 -14.1 -3.1 13.6 117 117 A N > - 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