==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 04-AUG-06 2HXX . COMPND 2 MOLECULE: BARSTAR; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS; . AUTHOR M.RUBINI,S.LEPTHIEN,R.GOLBIK,N.BUDISA . 178 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9878.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 80.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.2 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 . 0 0.0 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 . 26 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 3.9 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 0 1 0 0 0 2 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 4 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 K 0 0 161 0, 0.0 49,-2.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -51.8 20.6 2.0 14.6 2 2 A K E +a 50 0A 103 47,-0.2 2,-0.4 21,-0.1 49,-0.2 -0.922 360.0 179.9-129.5 110.2 23.9 1.1 16.2 3 3 A A E -a 51 0A 0 47,-3.1 49,-3.1 -2,-0.5 2,-0.4 -0.885 9.6-161.1-109.5 136.7 26.7 -0.8 14.4 4 4 A V E -a 52 0A 23 -2,-0.4 2,-0.5 47,-0.2 49,-0.2 -0.946 8.1-168.3-121.5 135.0 30.0 -1.7 16.1 5 5 A I E -a 53 0A 0 47,-2.7 49,-2.7 -2,-0.4 2,-1.2 -0.983 11.4-156.1-120.8 123.2 33.3 -2.7 14.5 6 6 A N E > -a 54 0A 55 -2,-0.5 3,-3.0 47,-0.2 4,-0.4 -0.743 12.6-168.2 -94.5 85.6 36.1 -4.1 16.8 7 7 A G G > S+ 0 0 1 47,-2.1 3,-1.1 -2,-1.2 48,-0.2 0.701 79.9 68.4 -48.3 -26.4 39.0 -3.2 14.4 8 8 A E G 3 S+ 0 0 85 1,-0.3 -1,-0.3 -3,-0.1 47,-0.1 0.786 99.7 50.5 -63.9 -29.7 41.4 -5.3 16.5 9 9 A Q G < S+ 0 0 115 -3,-3.0 2,-0.3 6,-0.0 -1,-0.3 0.471 86.8 108.7 -88.1 -4.4 39.5 -8.4 15.3 10 10 A I < + 0 0 4 -3,-1.1 3,-0.1 -4,-0.4 52,-0.1 -0.567 33.7 168.9 -77.1 134.5 39.7 -7.4 11.6 11 11 A R - 0 0 150 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.466 62.8 -5.7-121.8 -6.8 42.0 -9.4 9.4 12 12 A S S > S- 0 0 37 1,-0.1 4,-1.4 51,-0.1 -1,-0.3 -0.983 76.1 -86.8-172.4 173.9 41.0 -8.3 5.8 13 13 A I H > S+ 0 0 67 -2,-0.3 4,-2.0 1,-0.2 3,-0.3 0.918 123.4 52.4 -62.8 -43.6 38.7 -6.2 3.7 14 14 A S H > S+ 0 0 45 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.873 102.9 59.4 -61.7 -33.6 36.1 -9.0 3.4 15 15 A D H > S+ 0 0 50 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.895 106.0 49.9 -57.4 -43.4 36.1 -9.3 7.3 16 16 A L H X S+ 0 0 0 -4,-1.4 4,-2.5 -3,-0.3 -1,-0.2 0.917 111.4 46.8 -62.2 -46.5 35.0 -5.7 7.4 17 17 A H H X S+ 0 0 3 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.901 113.9 47.4 -64.5 -41.5 32.2 -6.3 4.8 18 18 A Q H X S+ 0 0 89 -4,-3.1 4,-1.8 2,-0.2 -1,-0.2 0.838 111.7 50.3 -71.1 -29.4 31.0 -9.4 6.6 19 19 A T H X S+ 0 0 45 -4,-2.0 4,-3.3 -5,-0.3 5,-0.2 0.944 113.1 47.0 -70.0 -46.5 31.1 -7.6 10.0 20 20 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 6,-0.3 0.869 107.0 57.9 -59.2 -38.8 29.1 -4.8 8.4 21 21 A K H <>S+ 0 0 52 -4,-2.3 5,-2.6 2,-0.2 4,-0.3 0.925 114.7 37.2 -57.8 -45.3 26.7 -7.3 6.9 22 22 A K H ><5S+ 0 0 162 -4,-1.8 3,-0.8 3,-0.2 -2,-0.2 0.957 118.9 46.8 -73.4 -51.9 26.0 -8.6 10.5 23 23 A E H 3<5S+ 0 0 80 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.757 119.8 38.1 -64.4 -28.7 26.0 -5.3 12.3 24 24 A L T 3<5S- 0 0 19 -4,-2.6 -1,-0.2 -5,-0.2 22,-0.2 0.406 106.6-121.3-103.7 3.6 23.9 -3.4 9.8 25 25 A A T < 5 - 0 0 71 -3,-0.8 -3,-0.2 -4,-0.3 -4,-0.1 0.964 46.5-172.6 57.9 52.4 21.6 -6.3 9.1 26 26 A L < - 0 0 14 -5,-2.6 -1,-0.1 -6,-0.3 -5,-0.0 -0.207 32.9 -69.8 -74.1 170.9 22.5 -6.1 5.4 27 27 A A > - 0 0 29 1,-0.1 3,-2.6 2,-0.1 -1,-0.2 -0.305 43.5-115.8 -62.4 145.1 20.8 -8.2 2.7 28 28 A E T 3 S+ 0 0 127 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.762 117.3 39.6 -50.4 -33.9 21.4 -11.9 2.7 29 29 A Y T 3 S+ 0 0 210 2,-0.0 -1,-0.3 3,-0.0 -2,-0.1 0.084 82.4 159.4-107.2 20.8 23.2 -11.7 -0.7 30 30 A Y < - 0 0 20 -3,-2.6 7,-0.1 1,-0.1 -9,-0.0 -0.132 43.4-128.6 -43.3 136.8 25.0 -8.4 0.1 31 31 A G - 0 0 42 2,-0.1 -1,-0.1 1,-0.1 3,-0.1 0.592 18.2-139.1 -72.1 -15.5 27.9 -8.1 -2.3 32 32 A E + 0 0 65 1,-0.2 2,-0.3 -15,-0.1 -15,-0.1 0.928 65.1 102.3 56.5 47.6 30.8 -7.3 0.1 33 33 A N S > S- 0 0 73 -16,-0.1 4,-2.3 1,-0.1 -1,-0.2 -0.963 88.1 -96.2-151.8 162.3 32.4 -4.7 -2.1 34 34 A L H > S+ 0 0 69 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.817 122.3 49.4 -50.6 -39.0 32.6 -0.9 -2.1 35 35 A D H > S+ 0 0 122 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.918 110.0 49.1 -70.9 -44.3 29.8 -0.6 -4.7 36 36 A A H > S+ 0 0 17 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.875 109.0 56.1 -61.0 -34.3 27.4 -3.0 -2.8 37 37 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.936 107.8 46.5 -65.1 -46.3 28.2 -0.9 0.3 38 38 A X H X S+ 0 0 86 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.952 113.3 49.6 -58.7 -46.3 27.1 2.3 -1.4 39 39 A D H X S+ 0 0 98 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.860 109.5 50.8 -62.2 -35.0 23.9 0.6 -2.7 40 40 A A H X>S+ 0 0 10 -4,-2.4 5,-2.7 2,-0.2 4,-0.9 0.852 110.5 50.7 -71.0 -32.8 23.0 -0.8 0.8 41 41 A L H <5S+ 0 0 3 -4,-1.9 3,-0.3 -5,-0.2 -2,-0.2 0.920 116.0 40.6 -69.6 -43.8 23.4 2.7 2.3 42 42 A T H <5S+ 0 0 87 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.778 133.1 18.0 -79.8 -23.9 21.2 4.3 -0.3 43 43 A G H <5S+ 0 0 51 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.028 127.8 26.1-142.7 40.4 18.5 1.6 -0.4 44 44 A X T <5S+ 0 0 159 -4,-0.9 -3,-0.2 1,-0.4 -4,-0.1 0.222 88.4 85.8-156.1 -63.1 18.5 -0.8 2.5 45 45 A V < - 0 0 20 -5,-2.7 2,-0.4 1,-0.1 -1,-0.4 -0.151 68.2-131.5 -55.5 147.3 19.9 0.6 5.7 46 46 A E - 0 0 160 -22,-0.2 -1,-0.1 2,-0.1 -3,-0.0 -0.843 31.6-108.3-102.5 137.2 17.6 2.5 8.0 47 47 A Y S S+ 0 0 76 -2,-0.4 2,-0.1 2,-0.1 37,-0.1 -0.784 88.6 68.8-106.3 153.4 18.7 5.9 9.4 48 48 A P S S- 0 0 62 0, 0.0 2,-0.5 0, 0.0 36,-0.2 0.355 74.2-179.0 -62.5 136.2 19.6 7.3 12.1 49 49 A L E - b 0 84A 3 34,-2.6 36,-2.8 -2,-0.1 2,-0.5 -0.961 20.2-171.7-122.7 126.8 22.8 5.2 12.0 50 50 A V E -ab 2 85A 26 -49,-2.9 -47,-3.1 -2,-0.5 2,-0.5 -0.971 6.0-170.7-114.3 128.6 25.6 5.2 14.5 51 51 A L E -ab 3 86A 0 34,-3.0 36,-3.0 -2,-0.5 2,-0.6 -0.974 3.4-165.4-121.1 113.0 28.7 3.3 13.4 52 52 A E E -ab 4 87A 36 -49,-3.1 -47,-2.7 -2,-0.5 2,-0.7 -0.873 3.7-169.9-100.7 120.3 31.3 2.9 16.2 53 53 A X E > -ab 5 88A 0 34,-4.2 36,-1.9 -2,-0.6 3,-0.5 -0.877 6.2-164.6-118.5 103.8 34.6 1.9 14.8 54 54 A R E 3 +a 6 0A 93 -49,-2.7 -47,-2.1 -2,-0.7 5,-0.2 -0.584 69.0 10.1 -85.6 149.3 37.0 0.8 17.5 55 55 A Q T 3> S+ 0 0 87 34,-1.9 4,-2.0 -2,-0.2 3,-0.3 0.876 73.7 170.6 52.4 45.6 40.7 0.4 17.0 56 56 A F H <> S+ 0 0 6 -3,-0.5 4,-1.8 1,-0.2 5,-0.1 0.874 70.7 54.6 -53.4 -44.0 40.5 2.0 13.6 57 57 A E H > S+ 0 0 45 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.909 106.8 51.7 -62.9 -37.8 44.2 2.3 13.1 58 58 A Q H > S+ 0 0 77 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.926 110.2 47.2 -63.5 -42.6 44.6 -1.4 13.8 59 59 A S H < S+ 0 0 0 -4,-2.0 8,-0.4 1,-0.2 -1,-0.2 0.799 109.5 57.4 -68.3 -25.7 42.0 -2.4 11.2 60 60 A K H ><>S+ 0 0 39 -4,-1.8 5,-2.7 -5,-0.2 3,-0.9 0.918 108.3 43.5 -69.1 -47.7 43.8 0.0 8.9 61 61 A Q H ><5S+ 0 0 112 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.931 113.5 53.0 -64.3 -43.4 47.1 -1.8 9.2 62 62 A L T 3<5S+ 0 0 76 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.409 112.3 43.5 -74.4 0.6 45.4 -5.2 8.9 63 63 A T T X 5S- 0 0 13 -3,-0.9 3,-2.2 -4,-0.2 -1,-0.3 0.144 111.6-111.3-128.8 18.6 43.5 -4.3 5.7 64 64 A E T < 5S- 0 0 167 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.944 82.0 -51.9 46.2 53.9 46.4 -2.6 3.8 65 65 A N T >> + 0 0 16 -3,-2.2 4,-1.9 -6,-0.3 3,-0.9 0.865 63.3 67.5 -60.8 -34.0 41.3 -0.9 2.8 67 67 A A H 3> S+ 0 0 0 -8,-0.4 4,-2.3 1,-0.3 -1,-0.3 0.763 92.7 61.5 -54.8 -29.1 39.3 0.3 5.9 68 68 A E H <> S+ 0 0 51 -3,-1.3 4,-1.9 2,-0.2 -1,-0.3 0.890 104.8 46.2 -67.4 -37.3 39.9 3.8 4.8 69 69 A S H S+ 0 0 5 -4,-2.3 5,-2.8 1,-0.2 -1,-0.2 0.926 114.0 49.7 -62.6 -35.9 26.7 8.9 2.1 78 78 A K H ><5S+ 0 0 24 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.919 107.0 52.1 -67.5 -43.1 27.0 11.4 4.9 79 79 A A H 3<5S+ 0 0 57 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.894 107.6 55.2 -59.9 -36.7 28.2 14.2 2.6 80 80 A E T 3<5S- 0 0 156 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.298 133.0 -89.7 -79.9 8.5 25.1 13.4 0.5 81 81 A G T < 5S+ 0 0 62 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.398 73.3 149.4 104.1 -2.5 22.9 13.9 3.5 82 82 A A < - 0 0 24 -5,-2.8 2,-1.9 -6,-0.2 -1,-0.3 -0.410 52.8-120.3 -68.8 138.4 22.6 10.6 5.2 83 83 A D + 0 0 93 -2,-0.1 -34,-2.6 2,-0.0 2,-0.4 -0.537 59.7 143.5 -81.4 82.4 22.1 10.7 9.0 84 84 A I E -b 49 0A 2 -2,-1.9 2,-0.5 -36,-0.2 -34,-0.2 -0.971 34.7-163.5-124.8 138.2 25.1 8.8 10.0 85 85 A T E -b 50 0A 34 -36,-2.8 -34,-3.0 -2,-0.4 2,-0.5 -0.987 9.4-161.6-121.1 126.8 27.4 9.3 12.9 86 86 A I E -bC 51 178A 0 92,-2.4 92,-3.3 -2,-0.5 2,-0.6 -0.941 1.5-162.3-112.9 128.1 30.8 7.6 12.9 87 87 A I E -bC 52 177A 33 -36,-3.0 -34,-4.2 -2,-0.5 2,-0.9 -0.950 4.9-161.3-113.4 114.3 32.8 7.2 16.1 88 88 A L E bC 53 176A 1 88,-3.5 88,-1.9 -2,-0.6 -34,-0.2 -0.789 360.0 360.0-101.9 92.9 36.4 6.5 15.5 89 89 A S 0 0 49 -36,-1.9 -34,-1.9 -2,-0.9 -35,-0.2 0.015 360.0 360.0 -95.5 360.0 38.0 4.9 18.6 90 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 91 1 B K 0 0 183 0, 0.0 49,-3.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -30.7 38.2 16.8 27.1 92 2 B K E -d 140 0A 101 47,-0.2 2,-0.5 21,-0.1 49,-0.2 -0.973 360.0-178.8-123.9 125.2 35.5 17.4 24.5 93 3 B A E -d 141 0A 1 47,-2.7 49,-2.8 -2,-0.4 2,-0.6 -0.975 7.6-165.2-126.9 118.6 35.8 19.8 21.6 94 4 B V E -d 142 0A 49 -2,-0.5 2,-0.6 47,-0.2 49,-0.2 -0.912 4.1-173.2-105.5 114.7 32.8 20.2 19.2 95 5 B I E -d 143 0A 1 47,-2.9 49,-1.7 -2,-0.6 2,-0.8 -0.927 9.2-158.4-111.4 110.2 33.6 22.0 15.9 96 6 B N E > -d 144 0A 32 -2,-0.6 3,-1.0 47,-0.2 49,-0.2 -0.784 13.4-166.4 -94.4 108.3 30.5 22.6 13.8 97 7 B G G > S+ 0 0 3 47,-2.5 3,-2.1 -2,-0.8 48,-0.2 0.781 79.9 84.8 -60.4 -25.4 31.1 23.1 10.1 98 8 B E G 3 S+ 0 0 71 46,-0.6 -1,-0.3 1,-0.3 51,-0.1 0.306 102.4 33.0 -61.7 14.1 27.6 24.5 9.9 99 9 B Q G < S+ 0 0 137 -3,-1.0 2,-0.4 49,-0.1 -1,-0.3 0.055 95.6 101.9-159.0 31.1 29.1 27.8 10.9 100 10 B I < + 0 0 7 -3,-2.1 3,-0.1 1,-0.1 54,-0.0 -0.986 34.5 176.5-126.6 132.9 32.6 27.9 9.4 101 11 B R + 0 0 139 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.626 63.4 2.1-110.2 -17.7 33.7 29.8 6.3 102 12 B S S >> S- 0 0 40 1,-0.1 4,-1.6 55,-0.0 3,-0.8 -0.984 77.8 -89.0-161.5 169.9 37.4 29.2 5.9 103 13 B I H 3> S+ 0 0 79 -2,-0.3 4,-2.4 1,-0.3 3,-0.3 0.876 125.1 53.9 -50.1 -42.4 40.5 27.6 7.3 104 14 B S H 3> S+ 0 0 61 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.839 105.9 52.3 -63.4 -34.3 41.1 30.6 9.5 105 15 B D H <> S+ 0 0 56 -3,-0.8 4,-1.5 2,-0.2 -1,-0.2 0.818 108.6 51.1 -70.0 -32.4 37.6 30.3 10.9 106 16 B L H X S+ 0 0 1 -4,-1.6 4,-2.8 -3,-0.3 -2,-0.2 0.954 108.9 50.3 -67.9 -52.8 38.2 26.6 11.7 107 17 B H H X S+ 0 0 4 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.885 109.8 50.6 -55.1 -43.5 41.5 27.5 13.6 108 18 B Q H X S+ 0 0 117 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.863 111.7 47.8 -64.7 -35.3 39.7 30.1 15.6 109 19 B T H X S+ 0 0 41 -4,-1.5 4,-3.3 -3,-0.2 -2,-0.2 0.903 111.3 50.6 -70.0 -40.7 37.0 27.6 16.6 110 20 B L H X S+ 0 0 2 -4,-2.8 4,-4.1 2,-0.2 5,-0.5 0.937 107.9 54.4 -59.0 -49.1 39.6 25.0 17.5 111 21 B K H X>S+ 0 0 58 -4,-2.7 5,-1.4 1,-0.2 4,-0.7 0.901 115.2 38.0 -52.6 -48.7 41.4 27.6 19.6 112 22 B K H <5S+ 0 0 164 -4,-1.8 -2,-0.2 3,-0.2 -1,-0.2 0.946 121.6 44.7 -71.3 -45.8 38.3 28.3 21.6 113 23 B E H <5S+ 0 0 68 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.867 120.5 36.9 -68.3 -40.8 37.1 24.7 21.7 114 24 B L H <5S- 0 0 22 -4,-4.1 22,-0.2 -5,-0.2 -1,-0.2 0.600 107.2-124.6 -86.7 -10.3 40.3 23.0 22.5 115 25 B A T <5 - 0 0 71 -4,-0.7 -3,-0.2 -5,-0.5 -4,-0.2 0.886 46.2-177.4 69.3 39.2 41.2 25.9 24.8 116 26 B L < - 0 0 13 -5,-1.4 -1,-0.1 -6,-0.4 4,-0.1 -0.055 35.4 -63.7 -65.9 166.2 44.5 26.4 22.9 117 27 B A > - 0 0 28 1,-0.1 3,-3.0 2,-0.1 -1,-0.2 -0.239 42.7-123.1 -55.0 136.4 47.3 28.9 23.7 118 28 B E T 3 S+ 0 0 152 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.635 115.4 50.0 -54.6 -17.8 46.2 32.6 23.4 119 29 B Y T 3 S+ 0 0 204 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.154 80.3 159.9-108.1 15.5 49.1 33.0 20.9 120 30 B Y < - 0 0 18 -3,-3.0 7,-0.1 1,-0.2 -9,-0.0 -0.107 42.0-135.8 -44.3 124.4 48.0 30.0 18.9 121 31 B G - 0 0 46 1,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.703 22.7-137.9 -58.5 -25.1 49.6 30.2 15.4 122 32 B E + 0 0 68 1,-0.3 2,-0.3 -15,-0.1 -15,-0.1 0.950 65.5 97.0 63.7 50.9 46.4 29.2 13.6 123 33 B N S > S- 0 0 66 -16,-0.1 4,-2.7 1,-0.1 -1,-0.3 -0.935 87.5 -92.6-155.1 172.2 48.1 26.9 11.0 124 34 B L H > S+ 0 0 65 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.923 122.7 45.7 -59.4 -50.9 48.9 23.2 10.6 125 35 B D H > S+ 0 0 122 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.914 114.0 51.9 -59.7 -41.6 52.3 23.1 12.2 126 36 B A H > S+ 0 0 17 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.942 109.4 48.4 -60.8 -47.6 50.9 25.2 15.0 127 37 B L H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.910 109.1 53.9 -60.3 -36.1 48.0 22.8 15.5 128 38 B X H X S+ 0 0 90 -4,-2.5 4,-2.4 1,-0.3 -1,-0.2 0.886 108.2 48.9 -69.4 -35.5 50.5 19.9 15.5 129 39 B D H X S+ 0 0 109 -4,-2.1 4,-0.8 1,-0.2 -1,-0.3 0.823 106.7 57.1 -71.8 -27.8 52.5 21.5 18.2 130 40 B A H X>S+ 0 0 8 -4,-1.9 5,-4.3 -5,-0.2 4,-0.8 0.848 111.9 42.4 -68.6 -33.7 49.3 22.1 20.2 131 41 B L H ><5S+ 0 0 3 -4,-1.6 3,-0.6 3,-0.2 -2,-0.2 0.972 120.3 38.8 -75.4 -57.2 48.7 18.3 20.1 132 42 B T H 3<5S+ 0 0 98 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.462 135.8 20.5 -74.3 0.6 52.2 17.1 20.8 133 43 B G H 3<5S+ 0 0 52 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.215 130.9 18.1-159.3 32.3 52.8 19.8 23.3 134 44 B X T <<5S+ 0 0 167 -4,-0.8 -3,-0.2 -3,-0.6 -4,-0.1 0.196 82.5 99.9-162.4 -60.2 49.7 21.4 24.8 135 45 B V < - 0 0 17 -5,-4.3 2,-0.7 1,-0.1 -1,-0.3 -0.143 64.6-134.0 -47.7 133.0 46.4 19.5 24.5 136 46 B E - 0 0 173 -22,-0.2 -1,-0.1 2,-0.1 -5,-0.0 -0.832 39.9 -99.8 -97.3 115.5 45.4 17.6 27.6 137 47 B Y S S+ 0 0 82 -2,-0.7 2,-0.1 2,-0.1 37,-0.1 -0.325 87.9 50.6 -82.5 164.4 44.3 14.1 26.9 138 48 B P S S- 0 0 63 0, 0.0 2,-0.4 0, 0.0 36,-0.2 0.606 73.1-173.3 -81.3 157.4 42.2 12.1 26.5 139 49 B L E - e 0 174A 5 34,-2.7 36,-2.7 -2,-0.1 2,-0.6 -0.909 24.6-157.1-121.0 144.7 40.3 14.1 24.0 140 50 B V E -de 92 175A 42 -49,-3.4 -47,-2.7 -2,-0.4 2,-0.6 -0.965 17.9-168.1-116.2 108.6 36.9 13.7 22.2 141 51 B L E -de 93 176A 1 34,-2.3 36,-3.0 -2,-0.6 2,-0.7 -0.909 2.2-164.8-103.2 117.6 36.9 15.7 19.0 142 52 B E E -de 94 177A 34 -49,-2.8 -47,-2.9 -2,-0.6 2,-1.0 -0.886 5.2-173.8-106.5 106.5 33.5 16.1 17.3 143 53 B X E -de 95 178A 5 34,-2.2 36,-1.7 -2,-0.7 2,-0.4 -0.812 20.2-175.3-101.5 92.4 33.7 17.2 13.7 144 54 B R E -d 96 0A 77 -49,-1.7 -47,-2.5 -2,-1.0 -46,-0.6 -0.787 49.2 -8.8-107.2 140.1 30.1 17.8 12.8 145 55 B Q - 0 0 51 34,-4.1 2,-1.5 -2,-0.4 -1,-0.2 0.894 67.4-179.7 55.9 49.2 28.3 18.8 9.5 146 56 B F + 0 0 39 33,-0.5 -1,-0.2 -3,-0.3 2,-0.1 -0.640 63.1 55.3 -87.5 87.8 31.4 19.5 7.6 147 57 B E S > S+ 0 0 35 -2,-1.5 3,-0.5 -3,-0.2 7,-0.3 -0.251 73.9 116.2-163.9 -87.3 30.0 20.6 4.2 148 58 B Q T 3 + 0 0 57 1,-0.2 2,-0.8 3,-0.1 6,-0.2 0.505 64.5 31.8 27.4-175.2 27.5 23.4 4.8 149 59 B S T 3 S+ 0 0 55 1,-0.3 2,-0.6 2,-0.1 -1,-0.2 -0.084 140.4 18.3 40.4 -83.6 27.6 27.0 3.6 150 60 B K S < S+ 0 0 134 -2,-0.8 -1,-0.3 -3,-0.5 4,-0.2 -0.579 75.2 169.5-108.5 64.7 29.5 26.1 0.4 151 61 B Q + 0 0 109 -2,-0.6 -1,-0.1 1,-0.3 -3,-0.1 0.560 61.1 94.6 -55.3 -4.2 28.7 22.3 0.4 152 62 B L S S- 0 0 167 1,-0.2 -1,-0.3 -4,-0.1 3,-0.2 0.094 128.9 -68.8 -74.1 26.5 30.1 22.5 -3.1 153 63 B T - 0 0 105 -3,-0.2 2,-2.4 -5,-0.2 -2,-0.2 0.954 50.3-132.1 81.8 78.3 33.1 21.4 -0.9 154 64 B E - 0 0 35 -7,-0.3 -1,-0.1 -6,-0.2 -3,-0.1 -0.371 42.0-117.2 -60.7 82.0 34.0 24.4 1.2 155 65 B N S S+ 0 0 130 -2,-2.4 -52,-0.2 -3,-0.2 -1,-0.1 0.263 78.3 28.1 -24.8 133.4 37.7 24.0 0.3 156 66 B G S S+ 0 0 35 -54,-0.1 -3,-0.0 -53,-0.0 -2,-0.0 0.814 72.5 97.1 74.9 114.0 40.1 23.2 3.1 157 67 B A > + 0 0 18 -51,-0.0 4,-1.8 -11,-0.0 5,-0.1 0.008 69.5 74.5 169.5 -35.1 39.2 21.3 6.3 158 68 B E H > S+ 0 0 76 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.807 94.1 58.2 -69.2 -27.3 40.2 17.7 5.6 159 69 B S H > S+ 0 0 50 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.871 106.9 47.3 -69.6 -35.5 43.9 18.8 6.1 160 70 B V H > S+ 0 0 0 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.844 111.1 50.7 -72.4 -35.7 43.0 20.0 9.6 161 71 B L H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 3,-0.2 0.872 103.8 61.4 -69.3 -34.6 41.1 16.7 10.4 162 72 B Q H X S+ 0 0 68 -4,-2.0 4,-2.1 1,-0.2 5,-0.3 0.898 97.5 56.1 -57.7 -43.8 44.2 14.9 9.2 163 73 B V H X S+ 0 0 4 -4,-1.2 4,-1.6 1,-0.2 -1,-0.2 0.885 108.8 47.7 -58.6 -39.1 46.4 16.3 11.9 164 74 B F H X S+ 0 0 0 -4,-1.0 4,-1.6 -3,-0.2 -1,-0.2 0.927 109.1 54.3 -69.5 -38.1 44.0 15.0 14.5 165 75 B R H X S+ 0 0 31 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.842 107.6 48.1 -66.6 -31.2 43.9 11.6 12.9 166 76 B E H X S+ 0 0 91 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.881 106.6 55.6 -77.3 -35.7 47.7 11.1 12.9 167 77 B A H <>S+ 0 0 12 -4,-1.6 5,-2.5 -5,-0.3 3,-0.3 0.905 114.0 43.9 -58.6 -35.3 48.0 12.2 16.5 168 78 B K H ><5S+ 0 0 29 -4,-1.6 3,-1.5 1,-0.2 -2,-0.2 0.875 103.9 62.6 -73.4 -40.3 45.4 9.3 17.0 169 79 B A H 3<5S+ 0 0 42 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.713 109.4 45.2 -58.5 -20.0 47.3 7.0 14.7 170 80 B E T 3<5S- 0 0 177 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 -0.128 131.7 -74.8-122.1 42.3 50.2 7.3 17.3 171 81 B G T < 5S+ 0 0 68 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.140 76.7 142.4 99.5 -23.8 48.6 6.9 20.7 172 82 B A < - 0 0 17 -5,-2.5 2,-3.5 -6,-0.2 -1,-0.3 -0.349 59.4-125.5 -56.3 125.2 46.9 10.2 21.3 173 83 B D + 0 0 87 -3,-0.1 -34,-2.7 2,-0.0 2,-0.6 -0.416 59.4 150.0 -72.9 71.1 43.8 9.1 23.2 174 84 B I E - e 0 139A 3 -2,-3.5 2,-0.6 -36,-0.2 -34,-0.2 -0.943 32.3-165.1-111.6 119.1 41.8 11.0 20.6 175 85 B T E - e 0 140A 28 -36,-2.7 -34,-2.3 -2,-0.6 2,-0.6 -0.911 12.4-152.0-102.5 119.5 38.3 9.7 19.8 176 86 B I E -Ce 88 141A 0 -88,-1.9 -88,-3.5 -2,-0.6 2,-0.6 -0.852 6.9-164.4 -98.6 123.3 37.0 11.3 16.5 177 87 B I E -Ce 87 142A 24 -36,-3.0 -34,-2.2 -2,-0.6 2,-0.8 -0.911 3.4-161.6-105.8 113.5 33.3 11.7 16.1 178 88 B L E Ce 86 143A 4 -92,-3.3 -92,-2.4 -2,-0.6 -34,-0.2 -0.834 360.0 360.0 -95.0 108.9 32.2 12.4 12.5 179 89 B S 0 0 8 -36,-1.7 -34,-4.1 -2,-0.8 -33,-0.5 -0.687 360.0 360.0-140.2 360.0 28.7 13.8 12.7