==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (SERINE PROTEASE) 16-JAN-96 1YJA . COMPND 2 MOLECULE: SUBTILISIN 8397+1; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS; . AUTHOR R.D.KIDD,G.K.FARBER . 275 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10020.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 193 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 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 . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 21 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 3 0 0 0 0 2 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 2 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 PARALLEL BRIDGES PER LADDER . 4 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 A 0 0 115 0, 0.0 2,-0.5 0, 0.0 79,-0.3 0.000 360.0 360.0 360.0 82.9 -9.6 61.0 32.4 2 2 A Q - 0 0 51 77,-0.2 2,-0.3 75,-0.1 79,-0.2 -0.919 360.0-152.3-108.2 132.3 -6.3 59.4 31.5 3 3 A S B -a 81 0A 77 77,-2.4 79,-0.5 -2,-0.5 76,-0.0 -0.769 7.2-143.6-104.2 138.2 -3.8 58.2 34.0 4 4 A V - 0 0 68 -2,-0.3 79,-0.1 77,-0.2 77,-0.1 -0.909 26.9-125.8-100.8 118.0 -0.1 58.1 33.4 5 5 A P >> - 0 0 17 0, 0.0 4,-1.4 0, 0.0 3,-0.9 -0.410 19.2-117.8 -61.4 150.4 1.4 55.0 35.1 6 6 A Y H 3> S+ 0 0 69 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.860 112.8 60.4 -54.4 -41.0 4.3 55.7 37.6 7 7 A G H 3> S+ 0 0 0 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.812 99.4 53.5 -58.0 -35.9 6.6 53.6 35.4 8 8 A V H <4>S+ 0 0 2 -3,-0.9 5,-1.7 1,-0.2 3,-0.3 0.945 115.4 41.3 -67.3 -41.4 6.1 55.8 32.3 9 9 A S H ><5S+ 0 0 59 -4,-1.4 3,-1.2 1,-0.2 -2,-0.2 0.854 107.3 62.6 -71.6 -38.0 7.1 58.9 34.4 10 10 A Q H 3<5S+ 0 0 30 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.813 105.6 44.3 -60.0 -34.7 9.9 57.1 36.2 11 11 A I T 3<5S- 0 0 0 -4,-1.3 259,-2.7 -3,-0.3 260,-0.6 0.438 116.2-117.3 -90.1 1.0 11.9 56.5 33.0 12 12 A K T X>5 + 0 0 95 -3,-1.2 3,-0.8 -4,-0.2 4,-0.5 0.690 66.1 142.5 71.2 31.5 11.1 60.1 31.9 13 13 A A H >>< + 0 0 0 -5,-1.7 4,-1.9 1,-0.2 3,-1.6 0.877 61.4 67.2 -67.2 -41.0 9.1 59.4 28.8 14 14 A P H 3> S+ 0 0 38 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.760 93.0 63.2 -54.2 -23.4 6.6 62.3 29.2 15 15 A A H <4 S+ 0 0 28 -3,-0.8 4,-0.4 1,-0.2 -2,-0.2 0.852 107.0 41.8 -69.6 -35.6 9.5 64.7 28.6 16 16 A L H X<>S+ 0 0 2 -3,-1.6 5,-2.5 -4,-0.5 3,-0.8 0.834 108.3 60.4 -79.4 -34.5 9.9 63.3 25.1 17 17 A H H ><5S+ 0 0 30 -4,-1.9 3,-1.3 1,-0.3 -2,-0.2 0.876 102.0 53.6 -58.5 -42.5 6.1 63.2 24.5 18 18 A S T 3<5S+ 0 0 111 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.690 104.0 55.7 -65.5 -24.0 5.9 66.9 25.0 19 19 A Q T < 5S- 0 0 106 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.411 126.4-100.0 -87.4 -2.8 8.6 67.5 22.4 20 20 A G T < 5S+ 0 0 56 -3,-1.3 2,-0.8 -4,-0.3 -3,-0.2 0.593 85.2 127.5 94.8 11.4 6.6 65.6 19.8 21 21 A Y < + 0 0 75 -5,-2.5 -1,-0.2 1,-0.1 -2,-0.2 -0.854 13.7 142.0-106.0 103.0 8.5 62.3 20.1 22 22 A T S S- 0 0 27 -2,-0.8 65,-2.3 63,-0.1 66,-0.5 0.209 75.8 -90.1-126.3 15.4 6.0 59.6 20.8 23 23 A G > + 0 0 0 210,-0.3 3,-1.9 1,-0.2 66,-0.3 0.567 60.5 176.4 87.0 15.6 7.3 56.7 18.8 24 24 A S T 3 + 0 0 68 1,-0.2 -1,-0.2 64,-0.1 64,-0.2 -0.236 66.4 9.6 -59.6 134.0 5.5 57.4 15.5 25 25 A N T 3 S+ 0 0 134 62,-0.7 2,-0.4 1,-0.3 -1,-0.2 0.477 94.0 126.8 78.2 3.1 6.4 55.0 12.6 26 26 A V < - 0 0 7 -3,-1.9 63,-2.6 61,-0.1 2,-0.6 -0.808 52.9-142.4 -95.1 133.0 8.4 52.6 14.8 27 27 A K E -b 89 0B 70 -2,-0.4 94,-2.0 91,-0.2 93,-1.9 -0.888 20.2-178.5-100.5 118.3 7.3 49.0 14.6 28 28 A V E -bc 90 121B 0 61,-2.2 63,-2.0 -2,-0.6 2,-0.5 -0.975 13.6-152.3-117.5 127.4 7.4 47.1 17.8 29 29 A A E -bc 91 122B 0 92,-2.5 94,-2.3 -2,-0.5 2,-0.9 -0.899 2.2-155.3-102.3 126.7 6.5 43.4 17.9 30 30 A V E -bc 92 123B 0 61,-2.8 63,-2.3 -2,-0.5 2,-1.1 -0.899 9.4-161.1-100.8 99.1 5.1 42.2 21.2 31 31 A I E +b 93 0B 0 92,-1.8 94,-0.5 -2,-0.9 2,-0.2 -0.775 51.5 95.8 -82.5 101.1 6.0 38.4 21.0 32 32 A D E S-b 94 0B 0 61,-2.1 63,-3.2 -2,-1.1 64,-1.5 -0.640 91.0 -41.7-157.8-147.8 3.5 37.2 23.6 33 33 A S S S- 0 0 0 1,-0.3 28,-0.4 61,-0.2 29,-0.3 0.270 94.5 -88.4 -85.7 12.1 0.1 35.7 24.2 34 34 A G - 0 0 1 59,-0.3 2,-0.4 -4,-0.2 -1,-0.3 -0.481 40.8-101.9 106.5 173.0 -1.6 37.9 21.6 35 35 A I - 0 0 0 22,-1.8 2,-1.2 -2,-0.2 57,-0.1 -0.988 23.3-120.7-139.3 136.0 -3.1 41.4 22.1 36 36 A D > - 0 0 20 -2,-0.4 3,-1.5 1,-0.2 23,-0.2 -0.604 26.1-171.4 -76.8 102.3 -6.7 42.3 22.3 37 37 A S T 3 S+ 0 0 55 -2,-1.2 7,-0.3 21,-0.7 -1,-0.2 0.648 77.3 70.0 -70.3 -13.3 -7.1 44.6 19.3 38 38 A S T 3 + 0 0 91 20,-0.3 -1,-0.3 5,-0.1 -2,-0.1 0.425 69.8 117.3 -84.2 1.0 -10.7 45.5 20.4 39 39 A H X - 0 0 3 -3,-1.5 3,-1.7 1,-0.1 169,-0.0 -0.571 65.8-140.2 -72.1 129.1 -9.3 47.5 23.4 40 40 A P T 3 S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 39,-0.1 0.645 100.9 53.4 -63.0 -17.2 -10.3 51.2 23.1 41 41 A D T 3 S+ 0 0 0 33,-0.1 34,-2.3 36,-0.0 2,-0.3 0.221 103.3 64.4-103.9 13.1 -6.8 52.2 24.5 42 42 A L < - 0 0 9 -3,-1.7 2,-0.4 32,-0.2 32,-0.1 -0.961 56.6-162.6-135.0 150.8 -4.8 50.1 22.0 43 43 A K - 0 0 138 -2,-0.3 47,-0.9 30,-0.3 2,-0.5 -0.927 13.5-162.4-135.4 101.9 -4.3 50.3 18.2 44 44 A V E -d 90 0B 28 -2,-0.4 47,-0.2 -7,-0.3 3,-0.1 -0.804 5.7-168.1 -90.2 125.9 -2.8 47.1 16.8 45 45 A A E - 0 0 56 45,-2.9 2,-0.3 -2,-0.5 46,-0.2 0.682 60.1 -45.8 -87.3 -20.3 -1.3 47.5 13.3 46 46 A G E +d 91 0B 16 44,-1.0 46,-2.0 11,-0.0 2,-0.3 -0.950 58.8 161.8 175.7-162.7 -0.8 43.8 12.4 47 47 A G E -d 92 0B 22 -2,-0.3 2,-0.3 44,-0.3 46,-0.2 -0.937 22.2-128.7 148.4-177.2 0.5 40.5 13.7 48 48 A A E -d 93 0B 19 44,-2.2 46,-1.9 -2,-0.3 2,-0.4 -0.951 15.6-125.5-165.2 155.6 0.4 36.8 13.2 49 49 A S E +d 94 0B 30 6,-0.3 46,-0.2 -2,-0.3 44,-0.1 -0.941 20.9 173.9-119.4 134.1 -0.2 33.7 15.3 50 50 A F + 0 0 52 44,-2.8 45,-0.2 -2,-0.4 -1,-0.1 0.296 52.2 105.8-113.4 3.8 2.1 30.8 15.6 51 51 A V B > -K 54 0C 3 3,-0.5 3,-1.4 43,-0.4 45,-0.1 -0.803 66.3-145.1 -86.6 115.3 0.1 28.9 18.3 52 52 A P T 3 S+ 0 0 94 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.814 96.7 41.9 -49.1 -38.5 -1.5 25.9 16.3 53 53 A S T 3 S+ 0 0 101 1,-0.2 2,-0.4 -3,-0.1 -2,-0.0 0.481 112.5 53.6 -90.4 -6.3 -4.7 26.0 18.5 54 54 A E B < +K 51 0C 29 -3,-1.4 -3,-0.5 1,-0.1 -1,-0.2 -0.809 60.4 170.9-133.2 88.6 -5.1 29.8 18.7 55 55 A T + 0 0 121 -2,-0.4 -6,-0.3 -3,-0.2 -1,-0.1 0.518 55.9 81.0 -78.2 -9.1 -5.1 31.1 15.1 56 56 A N > - 0 0 63 1,-0.1 3,-1.0 -8,-0.1 -8,-0.1 -0.883 56.3-168.5-103.9 114.2 -6.2 34.7 15.9 57 57 A P T 3 S+ 0 0 14 0, 0.0 -22,-1.8 0, 0.0 -1,-0.1 0.737 86.1 63.3 -71.2 -18.9 -3.3 36.9 17.1 58 58 A F T 3 S+ 0 0 67 -24,-0.2 -21,-0.7 -22,-0.1 2,-0.5 0.058 86.3 82.6 -93.5 23.3 -5.8 39.6 18.1 59 59 A Q < - 0 0 97 -3,-1.0 2,-0.8 -23,-0.2 -23,-0.1 -0.983 61.1-168.0-130.3 111.2 -7.4 37.4 20.7 60 60 A D + 0 0 10 -2,-0.5 -26,-0.1 -26,-0.2 -24,-0.1 -0.865 10.6 175.2-105.3 98.7 -5.5 37.3 24.0 61 61 A N S S+ 0 0 79 -2,-0.8 -1,-0.1 -28,-0.4 37,-0.1 0.554 79.9 44.1 -81.0 -4.6 -6.9 34.4 26.1 62 62 A N S S- 0 0 51 -29,-0.3 -1,-0.1 34,-0.1 36,-0.1 0.877 92.9-134.0-101.7 -53.3 -4.4 34.9 28.8 63 63 A S S > S+ 0 0 17 -30,-0.1 4,-2.0 -29,-0.1 5,-0.2 -0.087 79.3 101.0 115.5 -21.7 -4.1 38.8 29.4 64 64 A H H > S+ 0 0 31 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.920 80.3 46.8 -56.5 -53.6 -0.3 38.9 29.5 65 65 A G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.843 112.0 50.2 -60.9 -38.7 0.2 40.2 25.9 66 66 A T H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 142,-0.4 0.870 112.1 47.7 -68.3 -38.3 -2.4 42.9 26.2 67 67 A H H X S+ 0 0 0 -4,-2.0 4,-1.1 2,-0.2 141,-0.4 0.932 114.1 47.2 -65.6 -48.4 -0.9 44.2 29.5 68 68 A V H >X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 3,-0.7 0.933 111.5 50.6 -61.8 -41.6 2.6 44.2 28.0 69 69 A A H 3X S+ 0 0 0 -4,-2.6 4,-3.4 1,-0.3 -1,-0.2 0.810 105.4 57.2 -65.3 -35.5 1.4 45.9 24.9 70 70 A G H 3X S+ 0 0 0 -4,-1.5 4,-1.6 138,-0.2 -1,-0.3 0.756 103.1 52.7 -66.7 -30.4 -0.3 48.7 26.9 71 71 A T H << S+ 0 0 6 -4,-1.1 13,-2.4 -3,-0.7 14,-0.2 0.915 116.0 42.0 -70.6 -38.2 3.0 49.5 28.7 72 72 A V H < S- 0 0 0 -4,-1.6 13,-2.7 11,-0.2 -2,-0.2 0.950 138.6 -1.9 -70.2 -52.7 4.6 49.9 25.2 73 73 A A H < + 0 0 3 -4,-3.4 -30,-0.3 10,-0.2 -3,-0.2 0.087 66.3 157.1-139.9 36.7 1.8 51.7 23.4 74 74 A A < - 0 0 0 -4,-1.6 9,-2.2 8,-0.1 -32,-0.2 -0.394 55.9-100.4 -63.1 134.6 -1.4 52.5 25.2 75 75 A L - 0 0 37 -34,-2.3 2,-1.0 7,-0.2 4,-0.1 -0.161 19.5-120.9 -58.9 153.6 -2.9 55.4 23.3 76 76 A D + 0 0 106 10,-0.2 2,-0.2 6,-0.1 -1,-0.1 -0.817 69.8 109.4 -98.6 98.2 -2.7 59.1 24.4 77 77 A N S S- 0 0 56 -2,-1.0 -75,-0.1 2,-0.4 -36,-0.0 -0.501 85.2 -75.7-143.0-150.4 -6.4 60.0 24.6 78 78 A S S S+ 0 0 86 -2,-0.2 2,-0.3 -77,-0.1 -2,-0.1 0.212 102.7 68.4-109.8 19.4 -8.8 60.8 27.4 79 79 A I S S- 0 0 68 2,-0.2 -2,-0.4 -4,-0.1 -77,-0.2 -0.894 92.1 -15.8-133.7 159.9 -9.3 57.2 28.6 80 80 A G S S- 0 0 15 -2,-0.3 -77,-2.4 -79,-0.3 2,-0.2 -0.133 96.2 -26.1 57.2-137.8 -7.3 54.5 30.4 81 81 A V B -a 3 0A 5 -79,-0.2 2,-0.4 -40,-0.1 -4,-0.2 -0.486 54.2-120.8-107.1 175.4 -3.5 54.6 30.7 82 82 A L - 0 0 11 -79,-0.5 -7,-0.2 -2,-0.2 -74,-0.1 -0.947 25.0-138.8-117.3 139.9 -0.7 56.1 28.6 83 83 A G - 0 0 0 -9,-2.2 -11,-0.2 -2,-0.4 -10,-0.2 -0.382 23.0-112.1 -90.3 176.7 2.0 54.0 27.0 84 84 A V S S+ 0 0 0 -13,-2.4 -11,-0.2 1,-0.3 -12,-0.2 0.918 117.5 19.0 -74.5 -40.4 5.8 54.8 26.9 85 85 A A S > S+ 0 0 0 -13,-2.7 3,-1.2 -14,-0.2 -1,-0.3 -0.783 76.1 177.2-128.0 81.9 5.5 55.2 23.1 86 86 A P T 3 S+ 0 0 4 0, 0.0 -10,-0.2 0, 0.0 -63,-0.2 0.659 76.6 51.6 -63.9 -16.8 1.8 55.8 22.4 87 87 A S T 3 S+ 0 0 47 -65,-2.3 -62,-0.7 -12,-0.1 -64,-0.2 0.472 81.1 121.4-100.2 2.2 2.2 56.4 18.6 88 88 A A S < S- 0 0 5 -3,-1.2 2,-0.7 -66,-0.5 -61,-0.2 -0.198 71.2-115.2 -63.4 149.0 4.1 53.2 17.9 89 89 A S E -b 27 0B 35 -63,-2.6 -61,-2.2 -66,-0.3 2,-0.4 -0.838 36.7-150.1 -87.7 118.7 2.7 50.7 15.4 90 90 A L E -bd 28 44B 1 -47,-0.9 -45,-2.9 -2,-0.7 -44,-1.0 -0.778 11.8-165.7 -95.7 133.8 2.0 47.6 17.6 91 91 A Y E -bd 29 46B 42 -63,-2.0 -61,-2.8 -2,-0.4 2,-0.6 -0.975 12.6-143.5-121.4 133.0 2.2 44.1 16.2 92 92 A A E -bd 30 47B 0 -46,-2.0 -44,-2.2 -2,-0.4 2,-0.7 -0.890 16.5-178.0 -96.4 117.3 0.8 41.1 18.0 93 93 A V E -bd 31 48B 0 -63,-2.3 -61,-2.1 -2,-0.6 2,-0.7 -0.927 17.0-155.0-116.3 97.7 3.0 38.0 17.5 94 94 A K E +bd 32 49B 0 -46,-1.9 -44,-2.8 -2,-0.7 -43,-0.4 -0.690 38.3 143.1 -80.7 112.3 1.1 35.3 19.4 95 95 A V + 0 0 0 -63,-3.2 2,-0.4 -2,-0.7 8,-0.3 0.337 57.6 67.3-125.7 -5.6 3.4 32.6 20.5 96 96 A L S S- 0 0 11 -64,-1.5 6,-0.2 6,-0.1 -45,-0.1 -0.924 72.2-141.4-119.0 147.1 1.9 31.8 23.9 97 97 A G > - 0 0 4 4,-2.4 3,-1.6 -2,-0.4 -2,-0.1 -0.030 41.9 -71.4 -91.6-161.2 -1.5 30.2 24.5 98 98 A A T 3 S+ 0 0 49 1,-0.3 -65,-0.0 2,-0.1 -2,-0.0 0.804 131.4 54.4 -64.7 -29.6 -4.3 30.6 26.9 99 99 A D T 3 S- 0 0 127 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.488 115.8-115.0 -85.6 2.3 -2.2 29.0 29.6 100 100 A G S < S+ 0 0 30 -3,-1.6 2,-0.3 1,-0.3 -2,-0.1 0.540 81.6 105.2 79.0 6.1 0.6 31.5 29.1 101 101 A S + 0 0 57 -68,-0.0 -4,-2.4 25,-0.0 -1,-0.3 -0.805 42.0 177.0-117.2 159.7 3.1 28.9 27.8 102 102 A G - 0 0 19 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.1 -0.927 32.4-100.5-150.9 168.8 4.3 28.1 24.3 103 103 A Q > - 0 0 111 -2,-0.3 4,-1.6 -8,-0.3 3,-0.5 -0.768 32.7-119.0 -96.1 147.1 6.8 25.8 22.6 104 104 A Y H > S+ 0 0 71 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.849 113.9 58.8 -51.1 -42.7 10.2 27.1 21.5 105 105 A S H > S+ 0 0 63 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.952 106.0 50.0 -53.1 -47.0 9.6 26.4 17.9 106 106 A W H > S+ 0 0 53 -3,-0.5 4,-1.2 1,-0.2 -1,-0.2 0.882 113.4 45.5 -58.4 -43.9 6.5 28.8 18.2 107 107 A I H X S+ 0 0 8 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.882 114.8 46.4 -66.7 -43.1 8.6 31.5 19.8 108 108 A I H X S+ 0 0 19 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.861 110.6 53.3 -67.9 -38.7 11.4 31.1 17.3 109 109 A N H X S+ 0 0 79 -4,-3.0 4,-1.6 -5,-0.3 -1,-0.2 0.809 109.8 50.7 -64.4 -32.5 8.9 31.1 14.4 110 110 A G H X S+ 0 0 0 -4,-1.2 4,-1.9 -5,-0.2 -2,-0.2 0.850 108.4 48.8 -72.7 -38.4 7.6 34.3 15.9 111 111 A I H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.920 111.1 52.7 -65.6 -43.1 11.1 36.0 16.1 112 112 A E H X S+ 0 0 80 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.892 107.5 50.1 -56.0 -46.8 11.6 34.9 12.5 113 113 A W H X S+ 0 0 48 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.929 108.1 54.9 -58.1 -46.7 8.3 36.5 11.4 114 114 A A H <>S+ 0 0 0 -4,-1.9 5,-2.2 2,-0.2 -1,-0.2 0.824 109.3 46.3 -56.7 -38.1 9.4 39.7 13.2 115 115 A I H ><5S+ 0 0 13 -4,-1.6 3,-1.7 3,-0.2 -1,-0.2 0.951 112.4 50.2 -69.6 -49.7 12.7 39.8 11.2 116 116 A A H 3<5S+ 0 0 72 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.755 110.8 49.5 -59.7 -31.5 11.0 39.2 7.9 117 117 A N T 3<5S- 0 0 73 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.180 114.9-113.5 -95.8 14.8 8.4 41.9 8.5 118 118 A N T < 5 - 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