==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-DEC-07 3BPP . COMPND 2 MOLECULE: 1510-N MEMBRANE PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR H.YOKOYAMA,S.HAMAMATSU,S.FUJII,I.MATSUI . 216 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10587.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 5.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 15 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 0 1 2 0 2 0 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 2 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 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 20 A A 0 0 104 0, 0.0 33,-0.2 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0 94.3 36.8 0.1 26.5 2 21 A K - 0 0 88 31,-1.3 2,-1.4 30,-0.3 196,-0.0 -0.116 360.0-118.7 -48.2 143.5 38.6 2.8 28.5 3 22 A N S S+ 0 0 59 31,-0.1 196,-1.4 32,-0.1 2,-0.3 -0.694 73.7 121.0 -85.7 84.0 36.6 4.9 31.0 4 23 A I E -a 199 0A 4 -2,-1.4 31,-1.8 194,-0.2 32,-0.8 -0.946 46.6-158.2-149.2 115.5 37.4 8.1 29.2 5 24 A V E -ab 200 36A 0 194,-2.3 196,-2.6 -2,-0.3 2,-0.3 -0.827 8.6-147.4 -99.8 139.1 34.6 10.4 27.8 6 25 A Y E -ab 201 37A 6 30,-1.8 32,-3.2 -2,-0.4 2,-0.4 -0.766 8.7-160.6 -99.6 152.3 35.3 12.9 25.0 7 26 A V E +ab 202 38A 0 194,-2.0 196,-3.6 -2,-0.3 2,-0.3 -0.999 16.5 161.9-134.3 137.0 33.6 16.3 24.7 8 27 A A E - b 0 39A 0 30,-1.8 32,-3.1 -2,-0.4 2,-0.4 -0.950 28.0-126.7-145.4 158.3 33.4 18.4 21.6 9 28 A Q E - b 0 40A 58 194,-0.4 2,-0.4 -2,-0.3 32,-0.2 -0.888 14.5-173.3-110.5 144.5 31.2 21.3 20.3 10 29 A I E + b 0 41A 1 30,-3.1 32,-2.1 -2,-0.4 2,-0.3 -0.984 20.0 167.7-131.3 120.6 29.2 21.6 17.1 11 30 A K E + b 0 42A 93 -2,-0.4 32,-0.2 30,-0.2 30,-0.0 -0.931 31.8 17.2-132.7 155.0 27.7 25.0 16.4 12 31 A G S S- 0 0 33 30,-1.9 33,-0.3 -2,-0.3 30,-0.1 -0.172 96.7 -5.4 87.3-174.3 26.0 26.9 13.6 13 32 A Q S S- 0 0 102 30,-0.1 2,-0.5 31,-0.1 33,-0.3 -0.149 70.9-115.0 -53.0 143.8 24.5 25.9 10.2 14 33 A I B +f 46 0B 0 31,-2.0 33,-3.0 3,-0.1 2,-0.2 -0.796 51.9 150.9 -88.5 122.9 24.8 22.2 9.2 15 34 A T > - 0 0 21 -2,-0.5 4,-1.3 31,-0.2 3,-0.1 -0.695 64.7 -82.3-133.4-175.1 27.0 21.8 6.1 16 35 A S H > S+ 0 0 74 1,-0.2 4,-1.1 -2,-0.2 -2,-0.0 0.803 130.5 56.7 -61.8 -28.4 29.4 19.3 4.4 17 36 A Y H > S+ 0 0 112 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.837 97.0 59.4 -70.5 -38.3 31.9 20.7 6.8 18 37 A T H > S+ 0 0 4 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.879 102.5 54.4 -58.5 -40.6 29.8 19.9 9.8 19 38 A Y H X S+ 0 0 57 -4,-1.3 4,-2.8 2,-0.2 -1,-0.2 0.898 105.0 53.5 -58.8 -42.9 30.0 16.2 8.8 20 39 A D H X S+ 0 0 84 -4,-1.1 4,-3.1 2,-0.2 -2,-0.2 0.929 110.4 47.8 -57.4 -48.1 33.9 16.5 8.7 21 40 A Q H X S+ 0 0 16 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.963 112.5 46.9 -54.1 -58.1 33.8 17.8 12.3 22 41 A F H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.888 116.0 46.9 -53.2 -43.5 31.4 15.1 13.5 23 42 A D H X S+ 0 0 52 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.939 111.7 49.6 -65.5 -48.7 33.6 12.5 11.7 24 43 A R H X S+ 0 0 81 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.953 115.6 43.0 -54.9 -53.4 36.9 13.8 13.0 25 44 A Y H X S+ 0 0 3 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.857 113.5 49.5 -62.8 -43.6 35.7 14.0 16.7 26 45 A I H X S+ 0 0 0 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.868 111.1 51.9 -67.9 -36.0 33.9 10.6 16.7 27 46 A T H X S+ 0 0 37 -4,-2.4 4,-4.2 2,-0.2 5,-0.2 0.942 104.9 53.5 -61.9 -53.7 37.1 9.0 15.2 28 47 A I H X S+ 0 0 68 -4,-2.2 4,-2.4 1,-0.3 -2,-0.2 0.910 114.8 42.4 -48.3 -45.0 39.5 10.4 17.8 29 48 A A H <>S+ 0 0 0 -4,-1.6 5,-3.0 2,-0.2 -1,-0.3 0.789 115.1 50.6 -74.8 -31.0 37.3 8.9 20.5 30 49 A E H ><5S+ 0 0 37 -4,-1.5 3,-1.7 3,-0.2 -2,-0.2 0.966 110.8 48.5 -66.7 -56.1 36.9 5.7 18.5 31 50 A Q H 3<5S+ 0 0 151 -4,-4.2 -2,-0.2 1,-0.3 -3,-0.2 0.952 112.6 47.8 -43.7 -64.6 40.8 5.4 18.0 32 51 A D T 3<5S- 0 0 42 -4,-2.4 -1,-0.3 -5,-0.2 -30,-0.3 0.556 114.2-122.3 -58.6 -9.2 41.4 5.9 21.7 33 52 A N T < 5 - 0 0 89 -3,-1.7 -31,-1.3 -4,-0.2 -3,-0.2 0.953 43.7-169.7 65.7 54.6 38.7 3.4 22.4 34 53 A A < - 0 0 3 -5,-3.0 -29,-0.2 -33,-0.2 3,-0.1 -0.026 36.2-128.4 -71.3 169.1 36.4 5.6 24.5 35 54 A E S S- 0 0 23 -31,-1.8 2,-0.3 1,-0.4 -30,-0.2 0.751 86.9 -30.3 -76.0 -34.9 33.4 5.0 26.7 36 55 A A E -b 5 0A 0 -32,-0.8 -30,-1.8 27,-0.2 2,-0.4 -0.954 50.7-127.7-173.2 159.6 31.4 7.7 24.9 37 56 A I E -bc 6 65A 0 27,-1.9 29,-3.1 -2,-0.3 2,-0.5 -0.999 19.0-153.9-120.7 128.3 31.7 11.0 23.0 38 57 A I E -bc 7 66A 0 -32,-3.2 -30,-1.8 -2,-0.4 2,-0.6 -0.919 8.9-164.0 -96.8 125.0 29.5 13.9 24.2 39 58 A I E -bc 8 67A 0 27,-3.1 29,-2.8 -2,-0.5 2,-0.7 -0.953 11.3-146.2-111.1 113.5 28.8 16.4 21.4 40 59 A E E -bc 9 68A 13 -32,-3.1 -30,-3.1 -2,-0.6 2,-0.4 -0.692 25.2-160.1 -78.2 114.5 27.4 19.8 22.5 41 60 A L E +bc 10 69A 0 27,-3.1 29,-1.2 -2,-0.7 2,-0.3 -0.814 27.0 164.3-106.9 133.6 25.1 20.8 19.7 42 61 A D E +b 11 0A 44 -32,-2.1 -30,-1.9 -2,-0.4 34,-0.2 -0.789 23.6 145.7-145.8 98.2 23.7 24.3 18.8 43 62 A T B -g 76 0C 0 32,-2.8 34,-2.3 -2,-0.3 -30,-0.1 -0.999 43.6-159.3-140.0 134.2 22.2 24.5 15.3 44 63 A P S S- 0 0 84 0, 0.0 2,-0.2 0, 0.0 -31,-0.1 0.301 71.7 -88.4 -87.0 8.4 19.3 26.4 13.7 45 64 A G + 0 0 4 -33,-0.3 -31,-2.0 33,-0.2 2,-0.3 -0.772 53.2 180.0 120.6-166.5 19.3 23.7 10.9 46 65 A G B +f 14 0B 31 -33,-0.3 2,-0.2 -2,-0.2 -31,-0.2 -0.983 44.1 2.5 167.6-145.6 21.2 23.3 7.7 47 66 A R > - 0 0 148 -33,-3.0 4,-1.8 -2,-0.3 5,-0.1 -0.456 48.1-145.3 -74.3 132.5 21.7 21.0 4.7 48 67 A A H > S+ 0 0 40 -2,-0.2 4,-2.3 2,-0.2 5,-0.2 0.870 98.0 50.2 -61.8 -42.3 19.6 17.8 4.5 49 68 A D H > S+ 0 0 84 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.940 110.5 48.6 -71.6 -41.8 22.2 15.7 2.8 50 69 A A H > S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.887 111.7 52.7 -58.1 -41.5 24.9 16.6 5.4 51 70 A M H X S+ 0 0 3 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.923 108.5 47.5 -57.9 -50.5 22.4 15.8 8.1 52 71 A M H X S+ 0 0 51 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.842 111.6 52.3 -64.0 -34.3 21.6 12.4 6.7 53 72 A N H X S+ 0 0 83 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.923 110.6 47.2 -62.7 -47.9 25.4 11.8 6.4 54 73 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.885 108.8 54.1 -59.2 -42.2 25.9 12.7 10.1 55 74 A V H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.936 111.6 46.0 -64.2 -42.1 23.0 10.5 11.2 56 75 A Q H X S+ 0 0 107 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.943 109.4 53.1 -61.8 -51.5 24.6 7.6 9.5 57 76 A R H < S+ 0 0 30 -4,-2.7 4,-0.2 1,-0.2 -2,-0.2 0.891 115.1 43.4 -48.0 -42.4 28.1 8.3 10.9 58 77 A I H >< S+ 0 0 0 -4,-2.3 3,-1.2 2,-0.2 -2,-0.2 0.915 112.0 50.7 -74.1 -45.5 26.5 8.3 14.4 59 78 A Q H 3< S+ 0 0 63 -4,-2.9 128,-0.3 1,-0.2 -2,-0.2 0.861 115.8 44.8 -58.0 -35.1 24.3 5.3 13.8 60 79 A Q T 3< S+ 0 0 130 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.384 86.5 127.0 -92.3 2.0 27.5 3.5 12.6 61 80 A S < - 0 0 0 -3,-1.2 126,-0.8 -4,-0.2 4,-0.1 -0.320 56.7-144.8 -61.8 138.3 29.7 4.8 15.4 62 81 A K S S+ 0 0 135 124,-0.2 -1,-0.1 -36,-0.1 124,-0.1 0.624 88.1 47.0 -79.8 -14.8 31.7 2.2 17.4 63 82 A I S S- 0 0 10 -37,-0.1 -27,-0.2 -5,-0.1 124,-0.1 -0.944 102.7 -91.0-122.8 149.3 31.2 4.3 20.7 64 83 A P - 0 0 5 0, 0.0 -27,-1.9 0, 0.0 2,-0.6 -0.283 35.4-145.8 -60.2 138.0 28.0 5.8 22.0 65 84 A V E -c 37 0A 0 -29,-0.2 23,-1.1 -7,-0.1 24,-0.9 -0.948 8.6-160.2-111.1 115.5 27.3 9.4 20.8 66 85 A I E -cd 38 89A 0 -29,-3.1 -27,-3.1 -2,-0.6 2,-0.6 -0.872 6.1-152.7 -96.5 121.1 25.6 11.6 23.3 67 86 A I E -cd 39 90A 0 22,-2.7 24,-2.6 -2,-0.6 2,-0.5 -0.849 13.6-170.2 -93.6 125.6 24.0 14.6 21.7 68 87 A Y E -cd 40 91A 0 -29,-2.8 -27,-3.1 -2,-0.6 2,-0.8 -0.969 19.7-142.6-119.5 113.2 23.8 17.5 24.3 69 88 A V E -cd 41 92A 0 22,-2.9 24,-2.7 -2,-0.5 -27,-0.2 -0.745 48.3-166.2 -78.8 113.4 21.8 20.5 23.4 70 89 A Y + 0 0 56 -29,-1.2 5,-0.1 -2,-0.8 -2,-0.1 -0.958 37.8 34.9-167.6 147.9 24.2 23.1 25.0 71 90 A P S > S- 0 0 45 0, 0.0 3,-2.4 0, 0.0 22,-0.1 0.598 92.2 -89.6 -73.8 176.4 24.9 25.8 26.1 72 91 A P T 3 S+ 0 0 78 0, 0.0 23,-0.2 0, 0.0 24,-0.1 -0.290 119.7 33.1 -51.2 137.0 21.7 27.2 27.6 73 92 A G T 3 S+ 0 0 61 1,-0.3 23,-0.1 20,-0.2 22,-0.1 0.336 92.2 123.9 90.5 -8.7 19.9 29.1 24.8 74 93 A A < - 0 0 3 -3,-2.4 23,-1.1 -5,-0.1 -1,-0.3 -0.280 46.9-151.7 -70.3 171.0 21.2 26.7 22.2 75 94 A S E - h 0 97C 30 21,-0.2 -32,-2.8 -5,-0.1 2,-0.6 -0.992 21.0-152.9-140.6 142.9 18.7 24.9 19.9 76 95 A A E +gh 43 98C 0 21,-2.7 23,-1.7 -2,-0.3 2,-0.2 -0.754 45.9 165.3-102.8 78.8 18.7 21.6 18.0 77 96 A A E > - h 0 99C 15 -34,-2.3 3,-2.7 -2,-0.6 23,-0.2 -0.554 46.8 -25.2-101.2 167.8 16.3 22.8 15.3 78 97 A S T >> S+ 0 0 37 22,-1.1 3,-1.9 21,-0.8 4,-0.8 -0.134 140.0 15.3 24.4-106.7 15.3 21.4 11.9 79 98 A A H 3> S+ 0 0 4 1,-0.3 4,-1.4 2,-0.2 3,-0.3 0.783 124.6 61.2 -56.0 -34.5 18.3 19.4 10.8 80 99 A G H <> S+ 0 0 0 -3,-2.7 4,-1.8 1,-0.2 -1,-0.3 0.728 94.7 63.4 -65.5 -23.7 19.8 19.3 14.3 81 100 A T H <> S+ 0 0 0 -3,-1.9 4,-3.6 2,-0.2 -1,-0.2 0.900 102.6 48.4 -64.4 -41.1 16.7 17.5 15.6 82 101 A Y H X S+ 0 0 7 -4,-0.8 4,-3.2 -3,-0.3 -2,-0.2 0.886 108.4 53.3 -68.1 -40.4 17.4 14.4 13.4 83 102 A I H < S+ 0 0 0 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.942 113.7 44.7 -54.2 -49.3 21.0 14.3 14.5 84 103 A A H >< S+ 0 0 0 -4,-1.8 3,-2.2 1,-0.2 -2,-0.2 0.964 113.7 47.9 -61.3 -56.1 19.7 14.3 18.0 85 104 A L H 3< S+ 0 0 2 -4,-3.6 -2,-0.2 1,-0.3 -1,-0.2 0.875 107.4 58.0 -54.7 -37.5 17.0 11.7 17.3 86 105 A G T 3< S+ 0 0 3 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.2 0.497 95.1 101.6 -67.0 -3.3 19.6 9.5 15.5 87 106 A S S < S- 0 0 0 -3,-2.2 3,-0.2 -4,-0.2 -21,-0.1 -0.385 79.0-124.1 -93.7 165.2 21.7 9.4 18.7 88 107 A H S S+ 0 0 1 -23,-1.1 95,-2.1 1,-0.3 2,-0.2 0.605 98.8 2.5 -73.0 -20.2 22.5 6.9 21.5 89 108 A L E -d 66 0A 1 -24,-0.9 -22,-2.7 93,-0.2 2,-0.4 -0.782 63.1-153.7-169.6 129.3 21.4 9.6 24.1 90 109 A I E +d 67 0A 0 -2,-0.2 74,-2.0 -24,-0.2 75,-1.8 -0.909 14.7 177.1-103.0 132.5 20.0 13.1 24.0 91 110 A A E -de 68 165A 0 -24,-2.6 -22,-2.9 -2,-0.4 2,-0.4 -0.924 10.4-159.3-121.5 154.9 20.5 15.6 26.9 92 111 A M E -de 69 166A 0 73,-1.4 75,-1.6 -2,-0.3 -22,-0.2 -0.998 13.1-132.8-131.3 136.1 19.3 19.2 26.9 93 112 A A > - 0 0 0 -24,-2.7 3,-1.3 -2,-0.4 -20,-0.2 -0.588 43.5 -86.8 -78.4 151.8 20.5 22.1 29.0 94 113 A P T 3 S+ 0 0 50 0, 0.0 -21,-0.2 0, 0.0 -1,-0.1 -0.340 116.0 29.8 -46.9 131.9 17.9 24.3 30.7 95 114 A G T 3 S+ 0 0 60 1,-0.3 2,-0.2 -23,-0.2 -22,-0.1 0.547 96.0 116.6 91.8 9.7 16.8 27.1 28.4 96 115 A T < - 0 0 6 -3,-1.3 -1,-0.3 -24,-0.1 2,-0.3 -0.603 50.7-137.3-110.4 171.3 17.3 25.2 25.1 97 116 A S E -h 75 0C 33 -23,-1.1 -21,-2.7 -2,-0.2 2,-0.3 -0.888 10.2-167.9-131.1 150.9 15.0 24.0 22.4 98 117 A I E +hI 76 152C 0 54,-1.2 54,-2.4 -2,-0.3 2,-0.3 -0.995 54.3 17.9-138.7 138.3 14.4 20.9 20.2 99 118 A G E +hI 77 151C 0 -23,-1.7 -21,-0.8 -2,-0.3 52,-0.3 -0.736 39.0 140.5 108.9-150.7 12.2 20.4 17.1 100 119 A A + 0 0 31 50,-2.8 -22,-1.1 -2,-0.3 46,-0.2 0.980 29.3 159.5 61.5 65.2 10.7 22.9 14.7 101 120 A C + 0 0 0 44,-1.8 45,-0.2 49,-0.3 44,-0.1 -0.024 7.3 146.9-109.6 22.6 11.5 20.7 11.7 102 121 A R - 0 0 101 43,-0.4 2,-0.4 42,-0.1 44,-0.1 -0.518 46.7-131.8 -60.6 119.1 9.0 22.2 9.2 103 122 A P - 0 0 21 0, 0.0 13,-1.2 0, 0.0 2,-0.3 -0.625 27.4-179.1 -81.0 125.2 10.7 21.8 5.7 104 123 A I E -J 115 0D 60 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.729 22.2-145.2-111.4 167.4 10.7 24.9 3.6 105 124 A L E - 0 0 113 9,-2.6 2,-0.3 1,-0.4 10,-0.1 0.619 56.3 -75.1-110.0 -15.9 12.3 24.9 0.1 106 125 A G E -J 114 0D 22 8,-0.7 8,-1.9 10,-0.0 2,-0.4 -0.987 61.6 -49.6 152.9-154.4 13.6 28.5 -0.1 107 126 A Y - 0 0 172 -2,-0.3 6,-0.2 6,-0.2 4,-0.0 -0.983 34.9-159.0-131.3 134.4 12.5 32.1 -0.6 108 127 A S - 0 0 66 -2,-0.4 -1,-0.1 0, 0.0 2,-0.1 0.952 56.3 -29.1 -82.4 -59.4 10.1 33.4 -3.3 109 128 A Q S S- 0 0 167 0, 0.0 3,-0.3 0, 0.0 -2,-0.0 -0.051 98.9 -38.7-132.2-134.6 10.3 37.2 -4.0 110 129 A N S S+ 0 0 183 1,-0.3 2,-0.3 -2,-0.1 -3,-0.0 0.923 134.0 6.8 -66.5 -48.7 11.1 40.4 -2.1 111 130 A G S S+ 0 0 69 2,-0.0 -1,-0.3 -4,-0.0 2,-0.3 -0.874 100.0 87.7-144.3 105.8 9.3 39.1 1.0 112 131 A S - 0 0 49 -2,-0.3 2,-0.3 -3,-0.3 0, 0.0 -0.951 51.6-129.2-172.3-174.4 8.0 35.5 1.2 113 132 A I - 0 0 83 -2,-0.3 2,-0.5 -6,-0.2 -6,-0.2 -0.878 21.8-133.4-159.1 119.5 8.8 31.9 2.2 114 133 A I E -J 106 0D 71 -8,-1.9 -9,-2.6 -2,-0.3 -8,-0.7 -0.672 14.9-144.6 -88.2 120.5 8.1 28.8 0.0 115 134 A E E -J 104 0D 107 -2,-0.5 -11,-0.2 -11,-0.2 -1,-0.0 -0.511 24.3-112.0 -77.3 147.4 6.5 25.7 1.6 116 135 A A - 0 0 16 -13,-1.2 -1,-0.1 -2,-0.2 5,-0.0 -0.610 32.8-103.2 -82.6 138.2 7.6 22.3 0.4 117 136 A P > - 0 0 67 0, 0.0 4,-1.7 0, 0.0 3,-0.2 -0.110 33.0-110.5 -46.6 152.9 5.2 20.0 -1.6 118 137 A P H > S+ 0 0 93 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.797 111.3 68.7 -61.9 -28.8 3.6 17.1 0.4 119 138 A A H > S+ 0 0 79 1,-0.2 4,-0.8 2,-0.2 -3,-0.0 0.965 109.2 31.2 -56.1 -59.5 5.7 14.5 -1.5 120 139 A I H > S+ 0 0 67 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.805 116.5 60.5 -71.0 -27.4 9.0 15.5 0.0 121 140 A T H X S+ 0 0 30 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.935 102.1 52.7 -64.7 -42.8 7.3 16.5 3.3 122 141 A N H X S+ 0 0 101 -4,-3.1 4,-1.5 1,-0.2 -1,-0.2 0.741 104.8 56.5 -64.0 -27.0 6.0 12.9 3.7 123 142 A Y H X S+ 0 0 99 -4,-0.8 4,-3.2 -3,-0.2 -1,-0.2 0.944 110.2 42.1 -66.2 -51.6 9.6 11.6 3.2 124 143 A F H X S+ 0 0 26 -4,-1.7 4,-3.5 2,-0.2 5,-0.2 0.911 112.5 56.3 -65.3 -39.2 11.0 13.7 6.2 125 144 A I H X S+ 0 0 19 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.925 113.8 39.3 -50.6 -49.9 7.9 12.8 8.2 126 145 A A H X S+ 0 0 48 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.834 113.1 55.5 -79.2 -35.9 8.6 9.1 7.7 127 146 A Y H X S+ 0 0 42 -4,-3.2 4,-2.0 2,-0.2 -2,-0.2 0.944 111.1 45.4 -54.3 -48.9 12.3 9.6 8.1 128 147 A I H X S+ 0 0 0 -4,-3.5 4,-2.7 1,-0.2 -2,-0.2 0.914 108.9 54.8 -67.2 -41.0 11.7 11.2 11.6 129 148 A K H X S+ 0 0 98 -4,-2.2 4,-4.0 -5,-0.2 -1,-0.2 0.904 109.5 49.5 -53.4 -43.5 9.2 8.6 12.8 130 149 A S H X S+ 0 0 45 -4,-1.7 4,-3.5 2,-0.2 -1,-0.2 0.874 109.0 48.7 -69.1 -44.8 11.8 5.9 12.0 131 150 A L H X S+ 0 0 1 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.941 116.7 46.0 -54.9 -47.1 14.6 7.6 13.9 132 151 A A H >X>S+ 0 0 0 -4,-2.7 5,-2.5 2,-0.2 4,-1.4 0.971 116.9 42.0 -63.0 -53.3 12.2 8.0 16.7 133 152 A Q H ><5S+ 0 0 140 -4,-4.0 3,-0.6 1,-0.2 -2,-0.2 0.934 111.7 56.8 -54.2 -52.0 10.9 4.4 16.5 134 153 A E H 3<5S+ 0 0 96 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.790 114.3 37.9 -48.8 -35.6 14.4 3.0 16.0 135 154 A S H <<5S- 0 0 4 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.642 115.1-106.7 -99.6 -16.2 15.6 4.7 19.3 136 155 A G T <<5S+ 0 0 52 -4,-1.4 2,-0.2 -3,-0.6 -3,-0.2 0.866 74.7 133.0 86.9 46.9 12.6 4.2 21.5 137 156 A R S + 0 0 52 -2,-0.2 4,-3.7 1,-0.2 3,-0.4 -0.360 46.3 177.6 -68.4 82.5 8.2 9.5 20.9 139 158 A A H > S+ 0 0 24 -2,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.827 82.3 54.5 -47.6 -35.0 7.6 8.8 17.2 140 159 A T H > S+ 0 0 102 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.879 112.5 39.7 -75.8 -40.1 4.3 10.7 17.6 141 160 A I H >> S+ 0 0 14 -3,-0.4 4,-1.1 19,-0.2 3,-0.8 0.938 111.0 60.6 -68.8 -45.8 5.9 13.9 19.0 142 161 A A H >X S+ 0 0 2 -4,-3.7 3,-1.4 1,-0.3 4,-0.7 0.903 102.7 51.0 -44.9 -50.9 8.8 13.5 16.5 143 162 A E H >X S+ 0 0 56 -4,-2.1 4,-2.9 1,-0.3 3,-1.0 0.850 102.4 60.9 -57.4 -38.0 6.3 13.8 13.6 144 163 A E H - 0 0 67 -2,-0.4 4,-2.4 -56,-0.2 -56,-0.1 -0.469 42.9-105.4 -76.2 159.3 11.5 23.0 26.1 154 173 A P H > S+ 0 0 3 0, 0.0 4,-1.8 0, 0.0 9,-0.1 0.701 118.8 53.3 -60.8 -28.7 13.8 20.5 27.8 155 174 A E H > S+ 0 0 107 2,-0.2 4,-1.5 3,-0.1 5,-0.1 0.875 111.9 44.8 -79.3 -43.2 11.3 19.5 30.5 156 175 A E H >> S+ 0 0 72 2,-0.2 4,-2.7 3,-0.2 3,-1.1 0.995 111.3 54.9 -52.4 -66.8 8.6 18.8 27.9 157 176 A A H 3<>S+ 0 0 0 -4,-2.4 5,-1.9 1,-0.3 6,-1.0 0.816 111.7 42.9 -36.9 -52.6 11.1 16.9 25.8 158 177 A L H ><5S+ 0 0 74 -4,-1.8 3,-0.6 4,-0.2 -1,-0.3 0.817 114.0 50.4 -69.5 -31.8 12.0 14.6 28.6 159 178 A K H <<5S+ 0 0 170 -4,-1.5 -2,-0.2 -3,-1.1 -1,-0.2 0.944 109.2 50.4 -72.9 -45.2 8.4 14.0 29.8 160 179 A Y T 3<5S- 0 0 99 -4,-2.7 -1,-0.2 -5,-0.1 -19,-0.2 0.447 118.2-117.2 -63.6 -0.4 7.2 13.1 26.3 161 180 A G T < 5S+ 0 0 31 -3,-0.6 -3,-0.2 -5,-0.3 -23,-0.2 0.566 81.4 126.7 66.7 11.0 10.2 10.7 26.3 162 181 A V S S- 0 0 67 -98,-0.1 4,-2.7 -99,-0.0 3,-0.4 -0.929 82.1 -81.4-153.5 176.9 26.7 21.0 32.6 170 189 A I H > S+ 0 0 8 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.805 124.1 54.2 -57.6 -36.9 29.0 18.1 31.6 171 190 A N H > S+ 0 0 102 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.877 112.5 43.4 -61.9 -40.8 29.5 17.0 35.3 172 191 A E H > S+ 0 0 16 -3,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.889 112.1 52.9 -78.3 -38.7 25.7 16.8 35.8 173 192 A L H X S+ 0 0 0 -4,-2.7 4,-1.1 2,-0.2 -2,-0.2 0.901 111.6 47.5 -50.7 -46.8 25.2 15.1 32.4 174 193 A L H < S+ 0 0 15 -4,-2.0 4,-0.3 -5,-0.2 21,-0.2 0.860 113.7 47.6 -70.5 -36.4 27.8 12.5 33.5 175 194 A K H >< S+ 0 0 126 -4,-1.8 3,-1.1 1,-0.2 -2,-0.2 0.964 116.5 40.8 -61.3 -59.1 26.2 12.1 36.9 176 195 A K H 3< S+ 0 0 104 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.554 113.6 54.4 -73.0 -13.1 22.6 11.6 35.6 177 196 A S T >< S+ 0 0 0 -4,-1.1 3,-1.5 -5,-0.2 -1,-0.2 0.372 77.5 121.2 -98.7 -5.6 23.7 9.4 32.6 178 197 A N T < S+ 0 0 53 -3,-1.1 16,-0.2 -4,-0.3 3,-0.1 -0.428 83.3 8.4 -64.2 138.7 25.6 6.9 34.7 179 198 A G T 3 S+ 0 0 55 14,-2.9 2,-0.3 1,-0.2 -1,-0.3 0.798 95.1 140.8 53.8 32.6 24.2 3.4 34.2 180 199 A M < - 0 0 58 -3,-1.5 13,-4.7 13,-0.2 2,-0.4 -0.783 49.8-129.1 -93.0 150.5 21.9 4.5 31.4 181 200 A K B -K 192 0E 111 -2,-0.3 11,-0.2 11,-0.3 9,-0.0 -0.847 28.8-105.3 -98.3 133.5 21.5 2.1 28.4 182 201 A T - 0 0 3 9,-2.9 -93,-0.2 -2,-0.4 -94,-0.1 -0.264 21.0-133.4 -53.5 142.1 22.0 3.6 24.9 183 202 A K S S+ 0 0 51 -95,-2.1 -1,-0.1 -96,-0.1 -95,-0.1 0.576 93.5 28.1 -76.2 -12.1 18.7 4.1 23.0 184 203 A I S S- 0 0 14 -96,-0.2 7,-0.3 7,-0.1 -49,-0.1 -0.936 100.2 -90.7-140.2 154.5 20.2 2.4 19.9 185 204 A P - 0 0 53 0, 0.0 2,-0.5 0, 0.0 5,-0.3 -0.183 27.6-131.7 -61.4 161.5 23.0 -0.3 19.7 186 205 A V B > S-L 189 0F 7 3,-3.8 3,-2.2 1,-0.1 -124,-0.2 -0.961 82.5 -29.5-122.4 116.1 26.8 0.3 19.4 187 206 A N T 3 S- 0 0 106 -126,-0.8 -1,-0.1 -2,-0.5 -125,-0.1 0.778 132.1 -42.2 41.0 32.8 28.5 -1.7 16.6 188 207 A G T 3 S+ 0 0 68 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.173 125.6 92.0 109.6 -14.2 25.8 -4.4 17.2 189 208 A R B < S-L 186 0F 199 -3,-2.2 -3,-3.8 -5,-0.0 -1,-0.2 -0.934 72.9-127.6-119.2 128.3 25.8 -4.3 21.0 190 209 A Y - 0 0 127 -2,-0.5 2,-0.4 -5,-0.3 -7,-0.1 -0.483 33.4-146.5 -59.9 143.6 23.6 -2.2 23.3 191 210 A V - 0 0 39 -7,-0.3 -9,-2.9 -2,-0.1 2,-0.5 -0.954 7.8-146.1-119.2 140.5 25.9 -0.4 25.7 192 211 A T B -K 181 0E 79 -2,-0.4 -11,-0.3 -11,-0.2 2,-0.2 -0.938 31.8-117.3-107.6 122.9 25.2 0.4 29.4 193 212 A L - 0 0 2 -13,-4.7 -14,-2.9 -2,-0.5 2,-0.4 -0.383 29.2-174.0 -73.4 129.8 26.9 3.8 30.3 194 213 A N + 0 0 85 -16,-0.2 3,-0.1 -2,-0.2 2,-0.1 -0.755 20.3 153.7-126.8 88.2 29.6 3.8 33.0 195 214 A F + 0 0 11 -2,-0.4 -17,-0.1 -21,-0.2 -18,-0.1 -0.322 35.8 116.4-104.4 48.4 30.8 7.2 34.0 196 215 A T S S+ 0 0 98 1,-0.1 -1,-0.1 -2,-0.1 -18,-0.0 0.979 91.5 11.9 -76.3 -69.8 31.9 6.3 37.6 197 216 A N S S+ 0 0 129 -3,-0.1 -1,-0.1 2,-0.0 -2,-0.1 0.109 97.3 158.9 -92.4 25.7 35.7 6.9 37.5 198 217 A V - 0 0 26 1,-0.1 2,-0.4 -24,-0.1 -194,-0.2 -0.201 32.6-152.4 -73.1 134.6 35.5 8.7 34.2 199 218 A E E -a 4 0A 137 -196,-1.4 -194,-2.3 2,-0.0 2,-0.4 -0.847 16.8-142.0 -95.6 136.8 38.2 11.1 32.9 200 219 A V E -a 5 0A 49 -2,-0.4 2,-0.5 -196,-0.2 -194,-0.2 -0.841 12.0-166.0-105.5 131.5 37.0 13.8 30.5 201 220 A R E -a 6 0A 126 -196,-2.6 -194,-2.0 -2,-0.4 2,-0.5 -0.991 10.8-150.4-115.5 130.6 38.9 15.0 27.5 202 221 A Y E -a 7 0A 145 -2,-0.5 2,-0.4 -196,-0.2 -194,-0.2 -0.888 6.0-153.6-101.4 125.0 37.8 18.2 25.8 203 222 A L - 0 0 31 -196,-3.6 -194,-0.4 -2,-0.5 -178,-0.0 -0.810 8.3-147.8 -99.4 134.9 38.4 18.6 22.1 204 223 A A - 0 0 76 -2,-0.4 -196,-0.0 1,-0.1 -197,-0.0 -0.642 21.8-107.0 -95.3 151.6 38.7 22.1 20.6 205 224 A P - 0 0 45 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.094 40.4-114.7 -56.0 174.0 37.7 23.2 17.1 206 225 A S > - 0 0 42 1,-0.1 4,-1.6 0, 0.0 5,-0.1 -0.519 23.2-105.8-100.3 180.0 40.5 23.9 14.6 207 226 A F H > S+ 0 0 166 2,-0.2 4,-1.5 -2,-0.2 5,-0.1 0.823 123.4 55.0 -74.3 -33.2 41.5 27.2 13.0 208 227 A K H > S+ 0 0 159 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.920 104.8 54.5 -59.7 -48.7 40.0 26.0 9.8 209 228 A D H > S+ 0 0 12 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.951 107.7 48.4 -46.6 -58.5 36.7 25.3 11.6 210 229 A K H X S+ 0 0 132 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.838 110.2 52.9 -57.4 -35.2 36.6 28.9 13.0 211 230 A L H X S+ 0 0 97 -4,-1.5 4,-2.5 2,-0.2 3,-0.3 0.950 112.0 42.6 -66.5 -53.3 37.3 30.3 9.5 212 231 A I H X S+ 0 0 41 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.815 112.1 57.5 -56.2 -36.1 34.4 28.4 7.8 213 232 A S H < S+ 0 0 78 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.811 108.4 46.6 -65.5 -32.3 32.3 29.4 10.9 214 233 A Y H < S+ 0 0 196 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.972 116.4 41.9 -69.8 -57.1 33.1 33.0 10.0 215 234 A I H < 0 0 128 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.893 360.0 360.0 -57.3 -48.7 32.3 32.7 6.3 216 235 A T < 0 0 97 -4,-2.7 -3,-0.1 -5,-0.1 -204,-0.0 0.313 360.0 360.0 -86.8 360.0 29.1 30.6 6.7