==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (SERINE PROTEASE) 01-SEP-95 1SBH . 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) . 10039.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 12.4 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 . 29 10.5 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 . 1 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 0 114 0, 0.0 2,-0.5 0, 0.0 79,-0.1 0.000 360.0 360.0 360.0 69.5 -10.0 60.6 32.6 2 2 A Q - 0 0 51 75,-0.1 2,-0.4 77,-0.1 79,-0.2 -0.925 360.0-154.9-104.6 130.2 -6.6 59.4 31.4 3 3 A S - 0 0 75 77,-2.6 79,-0.3 -2,-0.5 76,-0.0 -0.820 7.1-145.6-105.3 134.1 -4.2 58.1 33.9 4 4 A V - 0 0 68 -2,-0.4 79,-0.1 77,-0.2 2,-0.1 -0.922 26.3-128.1 -97.4 116.5 -0.4 58.1 33.3 5 5 A P >> - 0 0 19 0, 0.0 4,-1.4 0, 0.0 3,-1.0 -0.424 17.0-117.9 -64.6 148.2 1.1 55.0 35.1 6 6 A Y H 3> S+ 0 0 67 1,-0.3 4,-3.0 2,-0.2 5,-0.1 0.792 112.2 62.3 -52.9 -36.9 4.2 55.7 37.5 7 7 A G H 3> S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.835 101.0 49.7 -59.1 -40.7 6.4 53.6 35.3 8 8 A V H <4>S+ 0 0 2 -3,-1.0 5,-1.7 2,-0.2 4,-0.2 0.901 116.3 43.1 -66.2 -42.1 6.0 55.9 32.2 9 9 A S H ><5S+ 0 0 62 -4,-1.4 3,-1.2 1,-0.2 -2,-0.2 0.883 109.0 58.4 -70.4 -39.8 6.8 58.9 34.4 10 10 A Q H 3<5S+ 0 0 27 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.898 106.8 46.4 -58.2 -43.5 9.7 57.1 36.2 11 11 A I T 3<5S- 0 0 0 -4,-1.6 259,-2.5 -5,-0.1 260,-0.6 0.475 114.3-119.7 -79.9 -0.2 11.6 56.5 32.9 12 12 A K T X>5 + 0 0 90 -3,-1.2 3,-0.9 -4,-0.2 4,-0.5 0.690 65.9 141.0 67.4 30.0 11.0 60.1 31.8 13 13 A A H >>< + 0 0 0 -5,-1.7 4,-2.1 1,-0.2 3,-1.5 0.887 60.6 67.0 -66.3 -43.1 8.9 59.3 28.6 14 14 A P H 3> S+ 0 0 41 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.693 93.2 62.7 -56.0 -16.2 6.4 62.2 29.1 15 15 A A H <4 S+ 0 0 33 -3,-0.9 4,-0.4 2,-0.2 -2,-0.2 0.869 107.0 41.9 -75.6 -36.9 9.3 64.6 28.5 16 16 A L H XX>S+ 0 0 1 -3,-1.5 5,-2.5 -4,-0.5 3,-1.1 0.884 110.4 59.6 -74.0 -37.7 9.8 63.2 24.9 17 17 A H H ><5S+ 0 0 26 -4,-2.1 3,-0.8 1,-0.3 -2,-0.2 0.882 102.5 51.4 -56.4 -43.3 6.0 63.1 24.5 18 18 A S T 3<5S+ 0 0 114 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.669 106.0 55.8 -70.4 -16.4 5.7 66.9 25.0 19 19 A Q T <45S- 0 0 122 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.586 126.7 -96.6 -89.5 -15.1 8.4 67.5 22.4 20 20 A G T <<5S+ 0 0 54 -3,-0.8 2,-0.7 -4,-0.8 -3,-0.2 0.553 86.6 127.2 108.3 11.2 6.5 65.6 19.7 21 21 A Y < + 0 0 75 -5,-2.5 -1,-0.3 1,-0.1 -2,-0.2 -0.910 10.9 137.8-106.6 109.3 8.3 62.3 20.1 22 22 A T S S- 0 0 23 -2,-0.7 65,-1.8 63,-0.1 66,-0.4 0.162 77.7 -95.0-133.9 10.4 5.8 59.5 20.7 23 23 A G > - 0 0 0 210,-0.3 3,-1.9 1,-0.2 66,-0.3 0.740 54.9-176.4 79.1 24.1 7.3 56.8 18.5 24 24 A S T 3 + 0 0 55 1,-0.3 64,-0.2 64,-0.1 -1,-0.2 -0.263 69.5 8.0 -55.1 136.7 5.3 57.5 15.4 25 25 A N T 3 S+ 0 0 142 62,-0.7 2,-0.5 1,-0.2 -1,-0.3 0.532 92.6 129.3 69.0 5.2 6.0 54.9 12.6 26 26 A V < - 0 0 8 -3,-1.9 63,-2.5 61,-0.1 2,-0.6 -0.808 54.1-139.0 -90.3 133.8 8.2 52.7 14.7 27 27 A K E -a 89 0A 64 -2,-0.5 94,-1.7 61,-0.2 93,-1.5 -0.869 21.2-174.2 -98.9 119.4 7.0 49.1 14.5 28 28 A V E -ab 90 121A 0 61,-2.5 63,-2.7 -2,-0.6 2,-0.5 -0.973 10.5-154.8-116.6 124.3 7.0 47.2 17.7 29 29 A A E -ab 91 122A 0 92,-2.7 94,-2.2 -2,-0.5 2,-0.8 -0.849 2.2-158.7-100.0 127.9 6.2 43.5 18.0 30 30 A V E -ab 92 123A 1 61,-2.8 63,-1.9 -2,-0.5 2,-1.0 -0.889 9.9-162.7-104.6 90.5 4.9 42.1 21.2 31 31 A I E +a 93 0A 0 92,-1.7 94,-0.5 -2,-0.8 63,-0.2 -0.728 51.8 93.5 -77.5 104.0 5.7 38.4 21.0 32 32 A D E S-a 94 0A 0 61,-2.2 63,-3.0 -2,-1.0 64,-2.0 -0.659 93.1 -38.4-163.0-144.8 3.4 37.1 23.6 33 33 A S S S- 0 0 0 1,-0.3 28,-0.4 61,-0.2 29,-0.3 0.287 95.2 -90.0 -88.6 14.3 -0.1 35.6 24.1 34 34 A G - 0 0 0 59,-0.3 2,-0.4 -4,-0.3 -1,-0.3 -0.390 41.4 -97.8 102.6 173.2 -1.7 37.9 21.6 35 35 A I - 0 0 0 22,-1.9 2,-1.2 -2,-0.1 57,-0.1 -0.999 24.2-120.8-132.0 138.1 -3.2 41.4 22.0 36 36 A D > - 0 0 21 -2,-0.4 3,-1.2 1,-0.2 23,-0.2 -0.685 28.0-173.5 -80.1 102.0 -6.9 42.2 22.4 37 37 A S T 3 S+ 0 0 55 -2,-1.2 7,-0.3 21,-0.9 -1,-0.2 0.606 75.3 70.0 -69.9 -16.5 -7.4 44.6 19.4 38 38 A S T 3 S+ 0 0 90 20,-0.3 -1,-0.2 5,-0.1 -2,-0.1 0.325 71.1 115.4 -82.5 2.5 -11.0 45.5 20.5 39 39 A H X - 0 0 3 -3,-1.2 3,-2.1 1,-0.1 169,-0.0 -0.672 66.9-141.7 -75.7 122.4 -9.6 47.4 23.4 40 40 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 39,-0.1 0.578 99.5 54.2 -61.5 -8.8 -10.5 51.2 23.0 41 41 A D T 3 S+ 0 0 0 33,-0.0 34,-2.7 36,-0.0 2,-0.3 0.360 102.1 64.7-106.9 6.2 -7.0 52.1 24.4 42 42 A L < - 0 0 8 -3,-2.1 2,-0.5 32,-0.2 32,-0.1 -0.946 58.2-162.5-129.8 141.3 -4.9 50.0 22.0 43 43 A K - 0 0 147 30,-0.4 47,-0.9 -2,-0.3 2,-0.5 -0.862 13.5-163.1-125.1 97.0 -4.5 50.3 18.2 44 44 A V E -c 90 0A 29 -2,-0.5 47,-0.2 -7,-0.3 3,-0.1 -0.717 6.1-169.8 -84.8 123.5 -3.0 47.0 16.9 45 45 A A E - 0 0 58 45,-3.0 2,-0.3 -2,-0.5 46,-0.2 0.709 57.2 -48.4 -83.7 -26.7 -1.6 47.4 13.4 46 46 A G E +c 91 0A 16 44,-1.0 46,-2.3 11,-0.0 2,-0.3 -0.940 59.5 153.0 179.7-160.2 -1.0 43.8 12.4 47 47 A G E -c 92 0A 23 -2,-0.3 2,-0.3 44,-0.3 46,-0.2 -0.911 27.3-117.5 142.8-172.8 0.5 40.5 13.5 48 48 A A E -c 93 0A 20 44,-1.9 46,-1.7 -2,-0.3 2,-0.4 -0.965 14.9-128.7-164.9 150.2 0.4 36.7 13.3 49 49 A S E +c 94 0A 27 6,-0.3 46,-0.2 -2,-0.3 6,-0.1 -0.930 18.5 175.9-112.4 135.4 -0.3 33.7 15.4 50 50 A F + 0 0 53 44,-2.9 45,-0.1 -2,-0.4 5,-0.1 0.178 51.8 108.0-117.1 10.8 2.0 30.8 15.7 51 51 A V B > -J 54 0B 4 3,-0.5 3,-0.9 43,-0.5 45,-0.1 -0.855 63.3-149.6 -91.3 109.8 -0.0 28.9 18.4 52 52 A P T 3 S+ 0 0 92 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.717 96.9 44.2 -52.7 -25.5 -1.6 26.0 16.3 53 53 A S T 3 S+ 0 0 103 1,-0.2 2,-0.4 -3,-0.0 -2,-0.0 0.649 114.2 48.8 -95.8 -19.1 -4.6 26.0 18.7 54 54 A E B < +J 51 0B 35 -3,-0.9 -3,-0.5 1,-0.1 -1,-0.2 -0.726 61.9 169.5-127.0 82.6 -5.1 29.8 18.8 55 55 A T + 0 0 121 -2,-0.4 -6,-0.3 -3,-0.2 -1,-0.1 0.378 56.6 80.6 -71.9 -5.5 -5.1 31.1 15.2 56 56 A N > - 0 0 62 3,-0.1 3,-1.1 1,-0.1 -8,-0.1 -0.924 56.5-169.9-107.7 107.7 -6.3 34.6 15.9 57 57 A P T 3 S+ 0 0 12 0, 0.0 -22,-1.9 0, 0.0 -1,-0.1 0.669 85.4 62.9 -70.6 -12.9 -3.4 36.8 17.1 58 58 A F T 3 S+ 0 0 67 -24,-0.2 -21,-0.9 -22,-0.1 2,-0.5 0.109 87.7 79.5 -97.4 18.6 -6.0 39.5 18.1 59 59 A Q < - 0 0 104 -3,-1.1 2,-0.9 -23,-0.2 -23,-0.1 -0.975 65.5-163.5-129.4 107.8 -7.7 37.3 20.7 60 60 A D + 0 0 12 -2,-0.5 -26,-0.1 1,-0.1 -24,-0.1 -0.841 11.5 178.2-101.2 101.8 -5.8 37.2 23.9 61 61 A N S S+ 0 0 77 -2,-0.9 -1,-0.1 -28,-0.4 37,-0.1 0.531 80.6 40.2 -79.0 -9.2 -7.0 34.3 26.0 62 62 A N S S- 0 0 56 -29,-0.3 -1,-0.1 34,-0.1 36,-0.1 0.863 92.6-132.5-102.0 -52.2 -4.6 34.9 28.8 63 63 A S S > S+ 0 0 14 -29,-0.1 4,-1.8 -30,-0.1 5,-0.2 -0.058 80.5 101.4 115.4 -18.7 -4.4 38.7 29.4 64 64 A H H > S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.919 79.2 48.1 -58.4 -51.1 -0.6 38.8 29.5 65 65 A G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.835 111.8 49.8 -61.8 -38.1 -0.0 40.1 25.9 66 66 A T H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 142,-0.4 0.846 110.4 50.6 -68.9 -39.3 -2.6 42.9 26.2 67 67 A H H X S+ 0 0 0 -4,-1.8 4,-1.2 2,-0.2 141,-0.4 0.929 112.8 45.4 -64.6 -47.4 -1.1 44.1 29.5 68 68 A V H >X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 3,-0.6 0.942 111.4 53.4 -62.0 -44.2 2.4 44.2 27.9 69 69 A A H 3X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.3 -1,-0.2 0.834 105.2 55.3 -59.2 -39.1 1.1 46.0 24.8 70 70 A G H 3X S+ 0 0 1 -4,-1.7 4,-1.7 138,-0.3 -1,-0.3 0.817 104.2 51.5 -64.1 -37.6 -0.5 48.7 26.9 71 71 A T H << S+ 0 0 6 -4,-1.2 13,-2.5 -3,-0.6 14,-0.2 0.925 116.1 44.2 -65.4 -39.5 2.7 49.6 28.7 72 72 A V H < S- 0 0 0 -4,-1.7 13,-3.3 11,-0.2 -2,-0.2 0.975 138.6 -5.8 -67.4 -59.3 4.3 49.9 25.2 73 73 A A H < + 0 0 3 -4,-3.0 -30,-0.4 10,-0.2 2,-0.3 -0.193 66.0 160.6-140.4 47.4 1.7 51.8 23.4 74 74 A A < - 0 0 0 -4,-1.7 9,-2.7 -32,-0.1 -32,-0.2 -0.574 56.6-100.5 -67.5 129.0 -1.6 52.5 25.2 75 75 A L - 0 0 42 -34,-2.7 2,-0.9 -2,-0.3 4,-0.2 -0.165 22.2-119.5 -56.5 144.5 -3.0 55.4 23.2 76 76 A D S S+ 0 0 100 10,-0.1 2,-0.2 6,-0.1 -1,-0.1 -0.769 70.2 105.0 -86.6 107.0 -2.9 59.0 24.3 77 77 A N S S- 0 0 58 -2,-0.9 -75,-0.1 2,-0.3 -36,-0.0 -0.555 84.8 -64.1-152.7-147.3 -6.5 60.0 24.6 78 78 A S S S+ 0 0 94 -2,-0.2 2,-0.2 -77,-0.1 -2,-0.1 0.341 103.2 59.4-101.4 4.2 -9.3 60.7 27.2 79 79 A I S S- 0 0 67 2,-0.2 -2,-0.3 -4,-0.2 -77,-0.1 -0.782 93.9 -16.2-130.5 172.4 -9.6 57.2 28.7 80 80 A G S S- 0 0 13 -2,-0.2 -77,-2.6 -78,-0.1 2,-0.1 0.016 95.8 -23.9 41.1-126.9 -7.7 54.4 30.4 81 81 A V - 0 0 4 -79,-0.2 2,-0.4 -77,-0.1 -4,-0.3 -0.361 50.0-123.4-110.2-174.6 -3.8 54.5 30.5 82 82 A L - 0 0 11 -79,-0.3 -7,-0.2 -2,-0.1 -74,-0.1 -1.000 23.6-143.3-133.0 130.3 -0.9 56.0 28.5 83 83 A G - 0 0 0 -9,-2.7 -11,-0.2 -2,-0.4 -10,-0.2 -0.282 26.8-108.3 -84.6-179.7 1.9 53.9 27.0 84 84 A V S S+ 0 0 0 -13,-2.5 -11,-0.2 1,-0.3 -12,-0.2 0.917 119.4 23.8 -73.9 -42.4 5.6 54.7 26.7 85 85 A A S > S+ 0 0 0 -13,-3.3 3,-1.6 -14,-0.2 -1,-0.3 -0.756 75.5 178.9-125.6 79.5 5.3 55.1 22.9 86 86 A P T 3 S+ 0 0 1 0, 0.0 -10,-0.1 0, 0.0 -63,-0.1 0.698 79.0 46.8 -51.3 -31.7 1.6 56.0 22.4 87 87 A S T 3 S+ 0 0 60 -65,-1.8 -62,-0.7 -12,-0.1 -64,-0.2 0.319 81.3 121.1-100.4 6.3 1.9 56.3 18.6 88 88 A A S < S- 0 0 8 -3,-1.6 2,-0.8 -66,-0.4 -61,-0.2 -0.353 72.7-111.0 -68.8 148.2 4.0 53.2 17.7 89 89 A S E -a 27 0A 34 -63,-2.5 -61,-2.5 -66,-0.3 2,-0.4 -0.761 38.9-146.7 -81.3 113.9 2.5 50.7 15.3 90 90 A L E -ac 28 44A 1 -47,-0.9 -45,-3.0 -2,-0.8 -44,-1.0 -0.751 12.7-163.6 -88.8 129.2 1.8 47.8 17.6 91 91 A Y E -ac 29 46A 40 -63,-2.7 -61,-2.8 -2,-0.4 2,-0.6 -0.964 10.5-145.4-116.6 129.0 2.1 44.2 16.2 92 92 A A E +ac 30 47A 0 -46,-2.3 -44,-1.9 -2,-0.4 2,-0.6 -0.853 17.3 179.8 -95.3 115.7 0.6 41.2 18.0 93 93 A V E -ac 31 48A 0 -63,-1.9 -61,-2.2 -2,-0.6 2,-0.8 -0.914 16.2-155.7-118.1 94.8 2.8 38.1 17.5 94 94 A K E +ac 32 49A 0 -46,-1.7 -44,-2.9 -2,-0.6 -43,-0.5 -0.655 38.3 141.6 -79.3 110.0 0.9 35.3 19.4 95 95 A V + 0 0 0 -63,-3.0 2,-0.4 -2,-0.8 8,-0.3 0.385 57.6 69.7-124.1 -6.2 3.3 32.6 20.5 96 96 A L S S- 0 0 10 -64,-2.0 6,-0.2 6,-0.1 -45,-0.1 -0.898 73.3-138.0-115.7 146.0 1.9 31.8 23.9 97 97 A G > - 0 0 3 4,-2.7 3,-1.8 -2,-0.4 -2,-0.1 -0.147 40.2 -77.2 -88.2-168.1 -1.5 30.1 24.5 98 98 A A T 3 S+ 0 0 43 1,-0.3 -65,-0.1 2,-0.1 -1,-0.0 0.764 129.9 55.5 -60.3 -30.4 -4.3 30.7 26.9 99 99 A D T 3 S- 0 0 124 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.459 116.4-113.1 -84.0 -0.7 -2.3 29.0 29.7 100 100 A G S < S+ 0 0 31 -3,-1.8 2,-0.2 1,-0.3 -2,-0.1 0.291 81.1 115.4 85.0 -8.2 0.6 31.5 29.2 101 101 A S + 0 0 54 -5,-0.1 -4,-2.7 -68,-0.0 -1,-0.3 -0.589 37.9 175.6 -95.4 156.6 2.9 28.7 27.9 102 102 A G - 0 0 22 -6,-0.2 2,-0.2 -2,-0.2 -6,-0.1 -0.985 29.0-116.4-155.0 154.5 4.4 28.3 24.5 103 103 A Q > - 0 0 108 -2,-0.3 4,-1.5 -8,-0.3 3,-0.4 -0.635 29.7-117.7 -93.9 151.9 6.8 25.9 22.8 104 104 A Y H > S+ 0 0 73 -2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.864 111.7 59.5 -56.4 -41.6 10.2 27.2 21.5 105 105 A S H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.887 107.3 49.0 -55.5 -40.8 9.5 26.4 17.8 106 106 A W H > S+ 0 0 51 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.880 113.3 45.3 -64.7 -46.9 6.5 28.8 18.1 107 107 A I H X S+ 0 0 7 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.893 114.7 47.9 -63.4 -44.4 8.5 31.6 19.7 108 108 A I H X S+ 0 0 19 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.885 109.3 54.0 -65.3 -37.7 11.3 31.2 17.2 109 109 A N H X S+ 0 0 78 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.879 109.5 49.1 -64.1 -36.3 8.8 31.2 14.4 110 110 A G H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.841 107.7 52.3 -71.2 -36.3 7.5 34.5 15.8 111 111 A I H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.923 110.4 49.5 -64.8 -42.7 11.0 36.0 16.0 112 112 A E H X S+ 0 0 74 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.861 108.7 53.0 -60.6 -42.1 11.5 35.0 12.3 113 113 A W H X S+ 0 0 40 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.916 108.3 50.2 -59.2 -49.3 8.1 36.6 11.4 114 114 A A H <>S+ 0 0 0 -4,-2.2 5,-2.3 2,-0.2 -2,-0.2 0.868 110.9 49.6 -59.5 -39.0 9.2 39.9 13.1 115 115 A I H ><5S+ 0 0 15 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.950 112.6 46.1 -65.4 -49.4 12.6 39.9 11.1 116 116 A A H 3<5S+ 0 0 76 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.717 114.1 47.6 -65.7 -26.4 10.8 39.3 7.7 117 117 A N T 3<5S- 0 0 72 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.167 116.1-115.2 -99.8 14.8 8.1 42.0 8.4 118 118 A N T < 5 - 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