==== 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 LIGASE 06-DEC-05 2C8M . COMPND 2 MOLECULE: LIPOATE-PROTEIN LIGASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA ACIDOPHILUM; . AUTHOR E.MCMANUS,R.N.PERHAM,B.F.LUISI . 972 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41802.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 698 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 77 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 155 15.9 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 . 8 0.8 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 . 82 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 274 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.1 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 5 4 3 5 0 0 0 0 0 5 3 0 4 0 3 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 2 7 3 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 . 3 4 8 0 4 0 0 4 3 1 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 4 0 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 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 M 0 0 148 0, 0.0 210,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 141.9 -33.8 -8.5 -1.8 2 2 A E E -a 211 0A 98 208,-0.2 2,-0.2 210,-0.1 210,-0.2 -0.664 360.0-173.5 -85.4 134.7 -31.7 -7.2 1.1 3 3 A G E -a 212 0A 0 208,-3.0 210,-2.0 -2,-0.4 2,-0.5 -0.642 25.6-110.4-112.5 174.9 -27.9 -7.6 1.0 4 4 A R E -ab 213 35A 23 30,-2.7 32,-2.9 208,-0.2 2,-0.7 -0.940 20.3-157.7-107.4 125.2 -25.1 -6.9 3.4 5 5 A L E -ab 214 36A 14 208,-2.8 210,-2.4 -2,-0.5 2,-0.7 -0.904 12.1-166.7 -99.4 114.6 -22.6 -4.1 2.5 6 6 A L E - b 0 37A 2 30,-2.6 32,-2.2 -2,-0.7 2,-1.3 -0.895 15.1-170.7-108.9 111.2 -19.4 -4.8 4.5 7 7 A L + 0 0 76 -2,-0.7 2,-0.6 208,-0.5 32,-0.1 -0.530 35.9 152.0 -91.8 67.9 -16.9 -1.9 4.5 8 8 A L + 0 0 32 -2,-1.3 2,-0.4 30,-0.4 -2,-0.1 -0.870 10.6 153.7-124.2 104.8 -14.3 -4.1 6.0 9 9 A E - 0 0 77 -2,-0.6 3,-0.1 30,-0.1 32,-0.1 -0.986 31.5-175.7-145.5 131.7 -10.7 -3.4 5.5 10 10 A T > + 0 0 35 -2,-0.4 3,-2.4 30,-0.2 7,-0.4 -0.677 18.9 173.5-125.6 72.8 -7.3 -4.0 7.1 11 11 A P T 3 S+ 0 0 20 0, 0.0 31,-2.6 0, 0.0 3,-0.3 0.772 74.9 56.8 -58.6 -29.5 -5.1 -2.1 4.7 12 12 A G T 3 S+ 0 0 35 243,-0.5 2,-0.2 1,-0.2 29,-0.1 0.383 112.7 42.8 -84.6 1.5 -1.9 -2.5 6.8 13 13 A N <> + 0 0 53 -3,-2.4 4,-2.0 1,-0.1 -1,-0.2 -0.646 59.2 174.8-148.4 89.6 -2.3 -6.3 6.7 14 14 A T H > S+ 0 0 2 -3,-0.3 4,-2.5 1,-0.2 5,-0.2 0.853 82.3 59.3 -61.2 -38.7 -3.2 -7.7 3.4 15 15 A R H > S+ 0 0 30 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.919 108.1 45.2 -60.7 -40.6 -2.9 -11.3 4.6 16 16 A M H > S+ 0 0 27 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.894 109.2 56.6 -67.7 -40.8 -5.6 -10.6 7.3 17 17 A S H X S+ 0 0 0 -4,-2.0 4,-0.9 -7,-0.4 -2,-0.2 0.925 108.8 46.7 -54.5 -44.4 -7.7 -8.9 4.6 18 18 A L H X S+ 0 0 6 -4,-2.5 4,-1.7 1,-0.2 3,-0.3 0.840 108.1 55.6 -70.4 -32.3 -7.6 -12.1 2.5 19 19 A A H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.894 106.1 52.2 -62.6 -40.7 -8.4 -14.2 5.6 20 20 A Y H X S+ 0 0 25 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.782 108.3 53.5 -59.1 -27.3 -11.5 -12.0 6.0 21 21 A D H X S+ 0 0 1 -4,-0.9 4,-1.1 -3,-0.3 -2,-0.2 0.830 111.6 39.3 -92.4 -36.1 -12.4 -12.7 2.4 22 22 A E H X S+ 0 0 18 -4,-1.7 4,-3.2 2,-0.2 5,-0.3 0.815 112.9 61.2 -70.5 -35.9 -12.3 -16.5 2.5 23 23 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.931 107.3 41.9 -57.0 -49.2 -13.9 -16.3 5.9 24 24 A I H X S+ 0 0 4 -4,-1.8 4,-0.7 1,-0.2 -1,-0.2 0.860 116.6 50.3 -67.6 -36.6 -17.0 -14.6 4.6 25 25 A Y H < S+ 0 0 15 -4,-1.1 3,-0.4 1,-0.2 -2,-0.2 0.928 115.4 40.9 -62.6 -46.9 -17.1 -16.9 1.6 26 26 A R H < S+ 0 0 122 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.758 111.0 55.5 -83.4 -26.4 -16.8 -20.1 3.6 27 27 A S H < S+ 0 0 12 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.691 84.2 113.1 -73.1 -19.6 -19.2 -19.1 6.4 28 28 A F < - 0 0 6 -4,-0.7 2,-0.4 -3,-0.4 64,-0.1 -0.293 51.9-160.8 -62.4 133.3 -21.9 -18.4 3.8 29 29 A Q > - 0 0 117 1,-0.0 3,-2.5 64,-0.0 64,-0.1 -0.938 36.2 -91.3-113.3 139.1 -24.9 -20.7 3.9 30 30 A Y T 3 S+ 0 0 138 -2,-0.4 127,-0.1 1,-0.3 3,-0.1 -0.191 116.4 28.4 -49.2 134.0 -27.2 -21.1 1.0 31 31 A G T 3 S+ 0 0 59 1,-0.3 -1,-0.3 125,-0.2 -3,-0.0 0.321 89.1 134.6 91.2 -6.8 -30.0 -18.5 1.4 32 32 A D S < S- 0 0 68 -3,-2.5 61,-0.3 1,-0.1 -1,-0.3 -0.279 71.7 -80.1 -63.3 156.8 -27.9 -16.0 3.4 33 33 A K - 0 0 105 1,-0.1 -30,-0.2 -3,-0.1 -1,-0.1 -0.455 55.3-108.8 -54.6 123.5 -28.1 -12.3 2.5 34 34 A P - 0 0 6 0, 0.0 -30,-2.7 0, 0.0 2,-0.4 -0.303 37.7-135.3 -55.7 142.1 -25.8 -11.8 -0.5 35 35 A I E -bC 4 91A 3 56,-3.0 56,-1.9 -32,-0.2 2,-0.5 -0.867 22.8-174.5-114.3 134.6 -22.6 -9.9 0.5 36 36 A L E -bC 5 90A 0 -32,-2.9 -30,-2.6 -2,-0.4 2,-0.4 -0.976 16.2-174.3-123.5 116.4 -20.8 -7.0 -1.1 37 37 A R E -bC 6 89A 2 52,-2.5 52,-1.9 -2,-0.5 2,-0.4 -0.923 9.0-161.7-115.9 133.4 -17.5 -6.1 0.6 38 38 A F E + C 0 88A 6 -32,-2.2 -30,-0.4 -2,-0.4 2,-0.3 -0.927 22.8 153.3-112.9 139.4 -15.2 -3.1 -0.2 39 39 A Y E - C 0 87A 8 48,-2.5 48,-2.6 -2,-0.4 2,-0.3 -0.996 27.8-147.7-161.8 153.4 -11.6 -3.0 0.9 40 40 A R - 0 0 32 -2,-0.3 2,-0.4 46,-0.2 -30,-0.2 -0.912 8.8-152.9-122.6 156.8 -8.1 -1.6 0.2 41 41 A H - 0 0 1 41,-0.5 44,-0.3 44,-0.4 3,-0.2 -0.984 17.6-128.4-124.8 135.7 -4.6 -3.0 0.7 42 42 A D S S- 0 0 14 -31,-2.6 39,-0.2 -2,-0.4 211,-0.1 -0.170 73.9 -32.1 -62.9 175.8 -1.5 -1.0 1.2 43 43 A R S S+ 0 0 20 209,-0.1 25,-1.2 37,-0.1 2,-0.3 -0.003 91.7 140.1 -37.9 124.3 1.5 -1.8 -1.1 44 44 A S E -iJ 68 81B 1 37,-1.7 37,-2.9 23,-0.2 2,-0.5 -0.965 49.2-138.7-168.8 144.3 1.1 -5.6 -1.8 45 45 A V E -iJ 69 80B 0 23,-3.1 25,-2.4 -2,-0.3 2,-0.6 -0.984 22.0-162.7-111.4 124.8 1.5 -8.2 -4.5 46 46 A I E -iJ 70 79B 3 33,-2.7 33,-2.2 -2,-0.5 2,-0.3 -0.939 7.8-164.4-107.4 119.0 -1.4 -10.7 -4.4 47 47 A I E -i 71 0B 0 23,-2.1 25,-2.3 -2,-0.6 31,-0.2 -0.728 27.2 -95.4 -99.3 155.7 -0.7 -13.9 -6.3 48 48 A G > - 0 0 0 28,-0.4 3,-1.6 -2,-0.3 27,-0.3 -0.198 37.3-107.9 -59.9 154.8 -3.2 -16.6 -7.4 49 49 A Y T 3 S+ 0 0 103 25,-2.4 26,-0.2 1,-0.3 -1,-0.1 0.837 118.6 42.1 -52.1 -37.8 -3.7 -19.6 -5.2 50 50 A F T 3 S+ 0 0 161 26,-0.2 -1,-0.3 24,-0.1 2,-0.2 0.319 91.9 117.4 -97.4 6.5 -1.9 -21.9 -7.7 51 51 A Q < - 0 0 29 -3,-1.6 2,-0.7 25,-0.1 3,-0.1 -0.475 64.0-130.1 -87.4 149.4 1.0 -19.6 -8.6 52 52 A V >> - 0 0 66 1,-0.2 3,-1.9 -2,-0.2 4,-1.0 -0.850 23.2-146.5 -90.2 112.5 4.8 -20.0 -8.1 53 53 A A H >> S+ 0 0 5 -2,-0.7 4,-2.0 1,-0.3 3,-1.4 0.879 93.8 48.6 -47.5 -52.7 5.8 -16.7 -6.4 54 54 A E H 34 S+ 0 0 153 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.543 109.1 54.8 -76.9 -6.0 9.2 -16.5 -8.0 55 55 A E H <4 S+ 0 0 139 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.674 116.9 35.2 -88.7 -22.6 7.8 -17.2 -11.4 56 56 A E H << S+ 0 0 69 -3,-1.4 2,-0.3 -4,-1.0 -2,-0.2 0.613 118.1 32.3-111.8 -20.0 5.3 -14.4 -11.2 57 57 A V S < S- 0 0 7 -4,-2.0 2,-1.3 -5,-0.2 120,-0.2 -0.954 76.2-108.0-142.1 162.3 6.9 -11.6 -9.3 58 58 A D > - 0 0 61 118,-2.1 4,-2.5 -2,-0.3 5,-0.1 -0.712 36.7-179.1 -88.9 90.3 10.2 -9.9 -8.6 59 59 A L H > S+ 0 0 46 -2,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.765 78.2 51.5 -69.2 -26.7 10.6 -11.1 -5.0 60 60 A D H > S+ 0 0 124 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.916 110.9 46.4 -75.8 -46.0 13.9 -9.3 -4.5 61 61 A Y H > S+ 0 0 61 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.916 112.9 53.0 -56.3 -44.2 12.5 -5.9 -5.7 62 62 A M H <>S+ 0 0 6 -4,-2.5 5,-2.8 2,-0.2 -2,-0.2 0.915 112.0 41.8 -60.6 -47.8 9.5 -6.6 -3.5 63 63 A K H ><5S+ 0 0 79 -4,-1.9 3,-1.5 1,-0.2 -1,-0.2 0.930 112.8 54.2 -65.8 -46.9 11.5 -7.2 -0.3 64 64 A K H 3<5S+ 0 0 104 -4,-2.5 399,-0.3 1,-0.3 -1,-0.2 0.862 115.0 42.0 -51.9 -39.0 13.9 -4.4 -1.0 65 65 A N T 3<5S- 0 0 26 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.245 113.0-111.6-101.0 10.7 10.8 -2.0 -1.3 66 66 A G T < 5 + 0 0 34 -3,-1.5 2,-0.6 1,-0.2 -3,-0.2 0.883 61.5 154.0 64.9 39.0 8.7 -3.2 1.6 67 67 A I < - 0 0 9 -5,-2.8 -23,-0.2 -6,-0.1 -1,-0.2 -0.905 40.2-129.6-103.7 119.3 5.9 -4.7 -0.5 68 68 A M E -i 44 0B 62 -25,-1.2 -23,-3.1 -2,-0.6 2,-0.5 -0.404 10.8-142.6 -67.6 134.4 4.0 -7.5 1.1 69 69 A L E +i 45 0B 14 -25,-0.2 2,-0.4 -2,-0.1 -23,-0.2 -0.859 26.1 173.6 -89.2 132.9 3.5 -10.8 -0.7 70 70 A A E -i 46 0B 0 -25,-2.4 -23,-2.1 -2,-0.5 2,-0.5 -0.996 22.3-147.9-142.0 133.6 0.1 -12.4 -0.1 71 71 A R E -i 47 0B 19 -2,-0.4 -23,-0.2 -25,-0.2 2,-0.1 -0.875 18.2-151.1 -99.4 130.0 -1.5 -15.5 -1.7 72 72 A R - 0 0 19 -25,-2.3 -53,-0.0 -2,-0.5 -57,-0.0 -0.471 21.2-118.3 -95.0 174.5 -5.3 -15.4 -2.1 73 73 A Y S S+ 0 0 24 -55,-0.2 2,-0.2 -2,-0.1 -1,-0.1 0.660 89.5 76.7 -92.3 -12.6 -7.6 -18.3 -2.2 74 74 A T S S- 0 0 2 1,-0.2 -25,-2.4 78,-0.1 -2,-0.2 -0.604 81.2-118.8 -89.1 157.9 -8.9 -17.9 -5.7 75 75 A G + 0 0 19 76,-0.5 -1,-0.2 -27,-0.3 2,-0.2 0.148 62.6 91.1 -75.2-160.6 -6.9 -18.8 -8.8 76 76 A G S S- 0 0 52 -28,-0.1 -28,-0.4 74,-0.1 -26,-0.2 -0.493 73.5 -49.0 99.5-175.8 -5.9 -16.3 -11.5 77 77 A G - 0 0 39 -2,-0.2 2,-0.2 -30,-0.1 -28,-0.1 -0.220 59.5 -78.8 -97.5-177.4 -2.8 -14.2 -11.9 78 78 A A - 0 0 22 -31,-0.2 2,-0.3 -22,-0.1 -31,-0.2 -0.549 43.4-175.6 -88.5 142.5 -0.7 -11.8 -9.9 79 79 A V E -J 46 0B 37 -33,-2.2 -33,-2.7 -2,-0.2 2,-0.5 -0.966 21.4-131.1-138.6 153.1 -1.7 -8.2 -9.2 80 80 A Y E -J 45 0B 4 -2,-0.3 2,-0.4 -35,-0.2 -35,-0.2 -0.913 26.3-171.2-105.9 130.7 -0.2 -5.2 -7.4 81 81 A H E +J 44 0B 10 -37,-2.9 -37,-1.7 -2,-0.5 2,-0.3 -0.931 14.4 156.9-118.4 144.9 -2.3 -3.3 -4.9 82 82 A D > - 0 0 19 -2,-0.4 3,-2.3 -39,-0.2 -41,-0.5 -0.829 63.9 -75.3-143.3-168.3 -1.9 0.0 -3.1 83 83 A L T 3 S+ 0 0 8 1,-0.3 -41,-0.1 -2,-0.3 85,-0.1 0.643 126.8 65.7 -70.8 -6.5 -4.3 2.5 -1.5 84 84 A G T 3 S+ 0 0 1 83,-0.1 83,-2.5 -43,-0.1 82,-2.2 0.427 87.3 83.8 -88.6 -1.0 -5.2 3.6 -5.0 85 85 A D E < - D 0 165A 1 -3,-2.3 2,-0.6 -44,-0.3 -44,-0.4 -0.903 67.6-153.5-106.1 127.8 -6.7 0.3 -5.8 86 86 A L E - D 0 164A 5 78,-2.5 78,-2.8 -2,-0.5 2,-0.3 -0.901 13.6-165.7-101.3 121.3 -10.3 -0.4 -4.7 87 87 A N E +CD 39 163A 2 -48,-2.6 -48,-2.5 -2,-0.6 2,-0.3 -0.782 8.3 178.3-104.9 152.2 -11.1 -4.1 -4.1 88 88 A F E -CD 38 162A 0 74,-2.0 74,-2.9 -2,-0.3 2,-0.3 -0.988 11.6-160.3-153.4 150.4 -14.5 -5.7 -3.8 89 89 A S E -CD 37 161A 2 -52,-1.9 -52,-2.5 -2,-0.3 2,-0.4 -0.960 2.6-160.6-131.7 140.7 -16.0 -9.1 -3.3 90 90 A V E -CD 36 160A 3 70,-1.5 70,-2.0 -2,-0.3 2,-0.5 -0.997 7.5-175.5-126.6 123.8 -19.5 -10.5 -3.9 91 91 A V E +CD 35 159A 2 -56,-1.9 -56,-3.0 -2,-0.4 2,-0.3 -0.990 15.4 162.3-119.2 126.3 -20.7 -13.7 -2.2 92 92 A R E - 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0 0 4 -5,-1.5 2,-1.1 -6,-0.4 -1,-0.2 -0.937 48.9-139.8-111.7 133.3 -33.8 -47.5 -35.6 949 225 D D E -j 739 0L 56 -211,-4.0 -209,-2.8 -2,-0.4 2,-0.6 -0.769 25.4-159.5 -88.2 95.4 -35.2 -50.3 -37.7 950 226 D F E -j 740 0L 29 -2,-1.1 2,-0.4 -211,-0.2 -209,-0.2 -0.683 12.3-178.7 -84.0 116.6 -32.9 -50.1 -40.8 951 227 D R E -j 741 0L 48 -211,-2.4 -209,-2.4 -2,-0.6 -2,-0.0 -0.938 37.2 -97.0-117.0 139.8 -34.4 -51.7 -43.9 952 228 D E E +j 742 0L 90 -2,-0.4 2,-0.3 -211,-0.2 -209,-0.2 -0.249 55.6 161.8 -57.3 132.3 -32.6 -51.9 -47.2 953 229 D D E -j 743 0L 67 -211,-2.6 -209,-1.6 -3,-0.0 2,-0.2 -0.950 29.8-128.1-148.8 162.3 -33.7 -49.1 -49.6 954 230 D T - 0 0 94 -2,-0.3 -209,-0.1 -211,-0.2 2,-0.0 -0.606 39.4 -80.5-110.4 173.7 -32.6 -47.4 -52.7 955 231 D I - 0 0 51 -211,-0.3 2,-0.1 -2,-0.2 -1,-0.1 -0.351 43.6-120.4 -73.2 151.6 -32.1 -43.7 -53.6 956 232 D T > - 0 0 59 1,-0.1 4,-2.7 -2,-0.0 5,-0.2 -0.467 20.1-115.8 -83.0 164.1 -35.1 -41.5 -54.5 957 233 D E H > S+ 0 0 84 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.892 118.0 53.4 -61.9 -41.4 -35.4 -39.6 -57.9 958 234 D K H > S+ 0 0 70 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.956 113.3 41.3 -57.6 -53.5 -35.3 -36.4 -55.9 959 235 D E H > S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.931 115.9 49.6 -59.5 -48.2 -32.0 -37.3 -54.2 960 236 D E H X S+ 0 0 12 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.849 109.9 51.5 -65.4 -35.6 -30.5 -38.8 -57.3 961 237 D S H X S+ 0 0 71 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.930 110.4 48.5 -64.8 -47.3 -31.3 -35.8 -59.4 962 238 D L H X S+ 0 0 37 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.932 111.6 50.0 -56.2 -48.8 -29.7 -33.4 -56.8 963 239 D A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.920 110.0 48.8 -58.7 -47.5 -26.6 -35.6 -56.7 964 240 D R H X S+ 0 0 149 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.826 114.3 46.4 -66.5 -32.4 -26.1 -35.7 -60.4 965 241 D E H X S+ 0 0 133 -4,-1.9 4,-2.2 2,-0.2 5,-0.3 0.848 110.7 52.9 -73.8 -36.9 -26.6 -31.9 -60.6 966 242 D L H X>S+ 0 0 8 -4,-2.7 5,-2.0 -5,-0.2 4,-1.8 0.848 110.6 48.1 -64.9 -35.1 -24.2 -31.5 -57.7 967 243 D F H <>S+ 0 0 42 -4,-2.2 5,-2.1 3,-0.2 -2,-0.2 0.889 112.4 47.4 -73.3 -40.8 -21.6 -33.6 -59.5 968 244 D D H <5S+ 0 0 117 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.1 0.947 122.3 32.7 -66.9 -50.5 -21.9 -31.7 -62.9 969 245 D K H <5S- 0 0 74 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.909 139.1 -0.2 -69.7 -43.7 -21.8 -28.2 -61.4 970 246 D K T ><5S+ 0 0 26 -4,-1.8 3,-2.2 -5,-0.3 6,-0.5 0.852 120.4 48.2-118.3 -71.3 -19.4 -28.8 -58.5 971 247 D Y T 3 - 0 0 40 -3,-2.2 4,-1.8 -6,-0.2 5,-0.2 -0.608 69.0-144.3 -92.4 139.8 -14.8 -29.7 -61.4 974 250 D E H > S+ 0 0 121 -2,-0.3 4,-2.3 1,-0.2 5,-0.4 0.778 103.7 64.4 -63.5 -24.6 -11.1 -29.0 -60.9 975 251 D E H > S+ 0 0 76 2,-0.2 4,-1.2 3,-0.2 -1,-0.2 0.921 105.0 40.2 -66.8 -47.1 -12.3 -25.7 -59.6 976 252 D W H 4 S+ 0 0 26 -6,-0.5 -2,-0.2 2,-0.2 -1,-0.2 0.930 122.0 40.7 -65.4 -48.3 -14.2 -27.2 -56.6 977 253 D N H < S+ 0 0 0 -4,-1.8 -2,-0.2 -7,-0.3 -187,-0.2 0.898 126.1 31.2 -72.2 -42.8 -11.6 -29.8 -55.7 978 254 D M H < 0 0 54 -4,-2.3 -1,-0.2 -5,-0.2 -187,-0.2 0.611 360.0 360.0 -96.0 -15.0 -8.4 -27.9 -56.2 979 255 D G < 0 0 66 -4,-1.2 -4,-0.2 -5,-0.4 -3,-0.1 0.653 360.0 360.0 71.0 360.0 -9.8 -24.5 -55.2