==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/HYDROLASE 10-APR-08 2K2Q . COMPND 2 MOLECULE: TYROCIDINE SYNTHETASE 3 (TYROCIDINE SYNTHETASE . SOURCE 2 ORGANISM_SCIENTIFIC: BREVIBACILLUS PARABREVIS; . AUTHOR A.KOGLIN,F.LOHR,F.BERNHARD,V.R.ROGOV,D.P.FRUEH,E.R.STRIETER, . 324 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20803.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 55.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.2 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 . 1 0.3 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 . 29 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 22.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.5 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 3 2 1 0 2 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 0 0 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 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 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 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 0 207 0, 0.0 37,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 99.6 -24.7 -23.4 -20.6 2 2 A G + 0 0 51 35,-0.1 33,-0.1 1,-0.1 36,-0.1 0.893 360.0 141.4 76.5 42.2 -27.4 -22.4 -18.2 3 3 A V + 0 0 72 34,-0.1 3,-0.1 29,-0.1 -1,-0.1 0.245 31.7 125.5 -97.7 10.9 -27.9 -18.9 -19.5 4 4 A T S S- 0 0 106 1,-0.2 2,-0.3 28,-0.0 26,-0.0 -0.217 80.0 -72.4 -65.8 160.4 -31.6 -19.1 -19.0 5 5 A E - 0 0 129 27,-0.1 2,-0.4 1,-0.1 27,-0.2 -0.383 52.4-136.7 -60.1 116.3 -33.4 -16.5 -17.0 6 6 A A - 0 0 16 25,-3.2 3,-0.1 -2,-0.3 -1,-0.1 -0.620 9.5-156.6 -78.5 130.9 -32.5 -17.1 -13.3 7 7 A Q S S+ 0 0 175 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.140 82.3 68.0 -92.3 18.9 -35.4 -16.8 -10.9 8 8 A Y + 0 0 167 0, 0.0 26,-0.5 0, 0.0 2,-0.3 -0.743 57.2 129.5-141.4 87.5 -33.0 -16.1 -8.1 9 9 A V + 0 0 78 -2,-0.3 123,-0.0 24,-0.2 24,-0.0 -0.796 20.4 128.8-145.6 97.9 -31.2 -12.8 -8.4 10 10 A A - 0 0 61 -2,-0.3 2,-0.2 123,-0.0 122,-0.1 -0.926 55.9-114.6-152.6 123.6 -31.2 -10.4 -5.4 11 11 A P - 0 0 40 0, 0.0 6,-0.1 0, 0.0 -2,-0.0 -0.409 17.4-154.6 -61.4 124.3 -28.2 -8.6 -3.7 12 12 A T S S+ 0 0 137 -2,-0.2 2,-0.3 60,-0.1 61,-0.0 0.934 80.4 29.0 -64.6 -47.6 -27.7 -9.9 -0.2 13 13 A N S >> S- 0 0 50 59,-0.1 3,-0.7 1,-0.1 4,-0.5 -0.777 86.2-113.9-113.8 158.6 -26.0 -6.7 0.9 14 14 A A G >4 S+ 0 0 19 -2,-0.3 3,-0.8 1,-0.2 4,-0.2 0.805 115.4 60.5 -59.6 -31.7 -26.4 -3.1 -0.3 15 15 A V G >4 S+ 0 0 16 1,-0.2 3,-1.4 2,-0.2 4,-0.3 0.882 99.1 56.2 -65.0 -35.5 -22.8 -3.2 -1.6 16 16 A E G X> S+ 0 0 41 -3,-0.7 3,-1.2 1,-0.3 4,-0.6 0.650 86.9 80.7 -71.4 -14.2 -23.7 -6.1 -4.0 17 17 A S G << S+ 0 0 16 -3,-0.8 -1,-0.3 -4,-0.5 4,-0.2 0.691 88.4 55.6 -66.6 -16.8 -26.5 -3.9 -5.4 18 18 A K G X> S+ 0 0 34 -3,-1.4 4,-1.9 -4,-0.2 3,-0.6 0.642 89.6 74.8 -89.5 -15.2 -23.9 -2.2 -7.6 19 19 A L H <>>S+ 0 0 34 -3,-1.2 4,-2.5 -4,-0.3 5,-0.9 0.851 90.4 57.2 -65.2 -34.4 -22.7 -5.5 -9.1 20 20 A A H 3<>S+ 0 0 31 -4,-0.6 5,-1.2 1,-0.2 -1,-0.2 0.767 108.6 47.6 -67.8 -24.9 -25.7 -5.7 -11.3 21 21 A E H <45S+ 0 0 22 -3,-0.6 -2,-0.2 -4,-0.2 -1,-0.2 0.877 115.6 42.6 -82.6 -40.1 -24.8 -2.3 -12.7 22 22 A I H <5S+ 0 0 5 -4,-1.9 5,-0.2 3,-0.1 -2,-0.2 0.947 134.7 7.5 -73.6 -50.9 -21.2 -3.1 -13.4 23 23 A W T >X>S+ 0 0 18 -4,-2.5 3,-2.3 -5,-0.1 4,-2.0 0.907 126.3 50.2-100.1 -58.8 -21.4 -6.6 -14.8 24 24 A E I 34XS+ 0 0 37 -5,-0.9 5,-2.0 1,-0.3 -3,-0.2 0.846 107.6 57.4 -52.3 -38.0 -25.1 -7.6 -15.4 25 25 A R I 34 - 0 0 13 -5,-0.1 4,-1.2 -34,-0.0 -35,-0.1 -0.900 65.2 -57.4-166.2-166.5 -22.6 -19.3 -15.0 38 38 A F T 4 S+ 0 0 102 -2,-0.3 -36,-0.0 1,-0.2 -35,-0.0 0.442 133.8 36.7 -71.4 0.6 -19.9 -18.0 -17.3 39 39 A F T >4 S+ 0 0 44 2,-0.1 3,-1.6 4,-0.0 -1,-0.2 0.697 104.2 63.1-119.5 -40.4 -19.0 -15.4 -14.5 40 40 A Q T 34 S+ 0 0 60 1,-0.3 -2,-0.1 -7,-0.2 3,-0.1 0.803 100.8 57.6 -57.5 -30.8 -19.5 -17.2 -11.2 41 41 A I T 3< S- 0 0 128 -4,-1.2 -1,-0.3 1,-0.2 -3,-0.1 0.704 120.5-106.9 -74.3 -18.5 -16.8 -19.6 -12.2 42 42 A G < - 0 0 20 -3,-1.6 2,-0.3 21,-0.1 -1,-0.2 -0.224 43.1-177.0 109.0 158.3 -14.4 -16.7 -12.6 43 43 A G - 0 0 46 -2,-0.1 3,-0.1 -3,-0.1 -4,-0.0 -0.976 44.6 -94.1-173.9 177.7 -12.8 -14.8 -15.4 44 44 A H - 0 0 158 -2,-0.3 3,-0.1 1,-0.2 6,-0.1 0.513 63.2-146.2 -85.6 -6.5 -10.4 -12.0 -16.5 45 45 A S - 0 0 25 1,-0.1 -1,-0.2 4,-0.1 3,-0.0 0.081 12.1-116.5 65.0 178.9 -13.3 -9.6 -16.7 46 46 A L S S+ 0 0 67 -3,-0.1 2,-0.3 181,-0.1 -1,-0.1 0.166 82.4 73.7-137.4 14.9 -13.6 -6.8 -19.2 47 47 A K S > S- 0 0 11 -3,-0.1 3,-1.8 180,-0.1 4,-0.2 -0.810 91.2-100.1-128.8 169.9 -13.7 -3.8 -16.9 48 48 A A T >> S+ 0 0 21 1,-0.3 3,-1.4 -2,-0.3 4,-0.6 0.598 107.5 83.5 -64.6 -11.6 -11.2 -1.8 -14.8 49 49 A M H 3> S+ 0 0 50 1,-0.3 4,-0.7 2,-0.2 -1,-0.3 0.729 75.3 72.5 -65.6 -19.7 -12.5 -3.6 -11.7 50 50 A A H X> S+ 0 0 12 -3,-1.8 4,-3.0 1,-0.2 3,-0.5 0.815 87.9 62.4 -64.2 -29.4 -10.1 -6.4 -12.6 51 51 A V H <> S+ 0 0 9 -3,-1.4 4,-2.8 1,-0.2 5,-0.4 0.921 96.2 57.4 -61.6 -43.8 -7.3 -4.1 -11.5 52 52 A A H 3< S+ 0 0 36 -4,-0.6 4,-0.4 -3,-0.3 -1,-0.2 0.779 114.6 39.4 -58.8 -27.8 -8.7 -4.1 -7.9 53 53 A A H S+ 0 0 40 -4,-3.0 5,-2.6 1,-0.2 4,-0.2 0.861 118.8 40.8 -58.3 -39.0 -5.1 -8.4 -9.8 55 55 A V T <5S+ 0 0 4 -4,-2.8 -1,-0.2 -5,-0.2 -3,-0.2 0.747 116.4 49.0 -84.4 -23.3 -3.4 -5.8 -7.6 56 56 A H T 45S+ 0 0 82 -4,-0.4 -2,-0.2 -5,-0.4 -1,-0.2 0.742 116.0 41.4 -88.3 -23.4 -5.0 -6.9 -4.3 57 57 A R T <5S- 0 0 114 -4,-2.3 -1,-0.2 10,-0.0 -2,-0.2 0.434 113.2-119.6 -99.6 -0.7 -4.3 -10.6 -4.8 58 58 A E T 5S- 0 0 93 -4,-0.2 -3,-0.2 -5,-0.2 -4,-0.1 0.996 79.2 -22.5 58.9 72.1 -0.8 -9.8 -6.1 59 59 A Y < - 0 0 139 -5,-2.6 3,-0.2 2,-0.1 -5,-0.1 0.966 63.3-172.0 61.5 93.6 -0.9 -11.3 -9.6 60 60 A Q > + 0 0 37 1,-0.2 2,-2.7 2,-0.1 3,-0.5 0.901 14.0 172.6 -77.5 -43.4 -3.6 -14.0 -9.8 61 61 A V T 3 S+ 0 0 110 1,-0.3 -1,-0.2 3,-0.0 -2,-0.1 -0.384 72.5 13.3 69.4 -67.4 -2.6 -15.1 -13.2 62 62 A E T 3 S+ 0 0 164 -2,-2.7 -1,-0.3 1,-0.3 -2,-0.1 0.841 129.5 20.2-101.3 -77.3 -4.9 -18.1 -13.4 63 63 A L < - 0 0 114 -3,-0.5 2,-1.5 1,-0.0 -1,-0.3 -0.824 63.4-136.9-104.2 137.1 -7.6 -18.2 -10.7 64 64 A P + 0 0 22 0, 0.0 4,-0.5 0, 0.0 3,-0.4 -0.364 43.7 165.2 -84.9 56.5 -8.8 -15.1 -8.7 65 65 A L + 0 0 117 -2,-1.5 5,-0.1 1,-0.2 -3,-0.0 -0.568 58.4 15.5 -79.4 138.8 -8.8 -17.0 -5.4 66 66 A K S S+ 0 0 149 -2,-0.3 -1,-0.2 3,-0.1 0, 0.0 0.965 107.0 83.2 64.8 57.2 -9.0 -15.0 -2.2 67 67 A V S S- 0 0 40 -3,-0.4 -2,-0.1 -10,-0.0 -11,-0.0 0.382 108.7 -11.3-154.7 -26.2 -10.1 -11.7 -3.8 68 68 A L S > S+ 0 0 64 -4,-0.5 3,-1.5 -15,-0.0 2,-1.4 0.390 127.1 52.6-144.9 -62.7 -13.9 -11.9 -4.2 69 69 A F T 3 S+ 0 0 107 -5,-0.4 -3,-0.1 1,-0.2 -4,-0.0 -0.115 98.1 74.4 -79.7 41.6 -15.5 -15.3 -3.8 70 70 A A T 3 S+ 0 0 52 -2,-1.4 -1,-0.2 1,-0.3 -5,-0.0 0.492 91.9 48.3-126.0 -16.4 -13.8 -15.6 -0.4 71 71 A Q < - 0 0 83 -3,-1.5 -1,-0.3 1,-0.1 3,-0.2 -0.978 52.2-168.8-134.9 121.0 -15.9 -13.2 1.7 72 72 A P S S+ 0 0 109 0, 0.0 2,-0.8 0, 0.0 3,-0.2 0.675 85.7 65.6 -77.6 -18.4 -19.8 -13.1 1.8 73 73 A T > + 0 0 61 1,-0.2 3,-1.0 2,-0.1 4,-0.4 -0.712 56.9 165.3-107.5 80.1 -19.6 -9.8 3.6 74 74 A I T >> S+ 0 0 32 -2,-0.8 4,-1.9 1,-0.3 3,-1.4 0.839 74.4 63.9 -63.4 -32.8 -18.1 -7.4 1.1 75 75 A K H 3> S+ 0 0 80 1,-0.3 4,-1.3 2,-0.2 -1,-0.3 0.782 95.2 60.6 -63.3 -24.6 -19.2 -4.4 3.2 76 76 A A H <4 S+ 0 0 31 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.695 106.8 45.5 -75.9 -19.3 -16.9 -5.7 5.9 77 77 A L H X> S+ 0 0 84 -3,-1.4 4,-2.8 -4,-0.4 3,-1.5 0.831 108.2 54.8 -89.5 -37.6 -14.0 -5.3 3.6 78 78 A A H 3< S+ 0 0 26 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.1 0.790 102.2 58.3 -66.4 -29.0 -15.0 -1.8 2.3 79 79 A Q T 3< S+ 0 0 73 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.1 0.267 117.7 34.1 -85.0 12.5 -15.1 -0.5 5.9 80 80 A Y T <4 S+ 0 0 149 -3,-1.5 2,-0.5 1,-0.2 -2,-0.2 0.603 127.6 19.0-127.0 -58.5 -11.4 -1.5 6.2 81 81 A V < 0 0 42 -4,-2.8 -1,-0.2 233,-0.0 -2,-0.1 -0.963 360.0 360.0-127.0 114.5 -9.6 -1.1 2.9 82 82 A A 0 0 31 -2,-0.5 216,-0.9 228,-0.1 88,-0.1 -0.584 360.0 360.0 -80.6 360.0 -11.0 1.2 0.2 83 !* 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 84 1 B M 0 0 142 0, 0.0 2,-0.3 0, 0.0 48,-0.2 0.000 360.0 360.0 360.0 58.4 -36.8 -1.1 -8.7 85 2 B S - 0 0 38 52,-1.5 2,-0.4 46,-0.1 52,-0.3 -0.984 360.0-135.5-154.3 143.4 -34.7 0.9 -6.3 86 3 B Q E +A 129 0A 78 43,-0.8 43,-2.3 -2,-0.3 2,-0.3 -0.838 24.2 175.9-105.1 141.0 -35.2 2.2 -2.7 87 4 B L E -A 128 0A 55 -2,-0.4 2,-0.5 41,-0.2 41,-0.2 -0.998 16.5-156.5-145.8 139.0 -34.3 5.7 -1.6 88 5 B F E +A 127 0A 100 39,-2.6 39,-2.5 -2,-0.3 2,-0.3 -0.965 22.0 165.8-121.1 119.9 -34.7 7.6 1.6 89 6 B K + 0 0 79 -2,-0.5 37,-0.1 37,-0.2 2,-0.1 -0.898 17.3 177.6-130.3 160.6 -34.9 11.4 1.7 90 7 B S + 0 0 48 -2,-0.3 35,-0.7 2,-0.0 2,-0.3 -0.538 14.6 170.8-164.2 84.8 -35.9 14.1 4.2 91 8 B F - 0 0 67 33,-0.2 2,-0.4 -2,-0.1 32,-0.1 -0.794 11.6-167.8-105.1 145.7 -35.5 17.7 3.1 92 9 B D S > S- 0 0 100 30,-0.5 3,-1.4 -2,-0.3 4,-0.1 -0.980 72.9 -19.9-135.8 120.4 -36.8 20.8 4.9 93 10 B A T 3 S- 0 0 91 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.733 112.2 -75.4 56.3 26.8 -37.0 24.3 3.4 94 11 B S T 3 S+ 0 0 79 2,-0.1 -1,-0.3 66,-0.0 3,-0.2 0.888 83.3 158.9 53.8 43.1 -34.5 23.2 0.8 95 12 B E < - 0 0 65 -3,-1.4 2,-0.3 27,-0.3 28,-0.1 0.993 65.0 -32.9 -57.5 -75.1 -31.7 23.4 3.4 96 13 B K - 0 0 83 26,-0.3 28,-1.4 -4,-0.1 2,-0.7 -0.791 54.3-150.7-158.1 107.3 -29.0 21.1 1.9 97 14 B T - 0 0 16 -2,-0.3 67,-0.6 -3,-0.2 2,-0.5 -0.712 19.3-178.4 -84.2 112.8 -29.7 18.1 -0.3 98 15 B Q E -b 164 0A 64 -2,-0.7 28,-0.9 26,-0.3 2,-0.6 -0.962 11.8-155.9-115.1 123.0 -26.9 15.5 0.1 99 16 B L E -bc 165 126A 10 65,-1.6 67,-3.3 -2,-0.5 2,-0.5 -0.878 9.7-174.2-103.2 120.0 -27.0 12.3 -1.8 100 17 B I E -bc 166 127A 53 26,-1.5 28,-2.3 -2,-0.6 2,-1.4 -0.944 15.2-151.1-117.1 115.4 -25.0 9.3 -0.4 101 18 B C S S- 0 0 28 65,-3.0 67,-0.4 -2,-0.5 26,-0.1 -0.651 73.9 -40.4 -87.9 86.5 -24.8 6.1 -2.5 102 19 B F S S- 0 0 23 -2,-1.4 -1,-0.2 26,-0.2 2,-0.1 0.982 78.4-173.0 59.2 88.1 -24.5 3.4 0.1 103 20 B P - 0 0 59 0, 0.0 2,-0.3 0, 0.0 65,-0.1 -0.223 6.9-146.6 -95.1-171.3 -22.1 4.6 2.9 104 21 B F - 0 0 59 63,-0.1 2,-0.7 -2,-0.1 5,-0.2 -0.924 33.1 -75.3-150.5 173.0 -20.6 2.9 5.9 105 22 B A + 0 0 85 -2,-0.3 2,-0.3 3,-0.1 0, 0.0 -0.666 69.9 137.5 -78.5 113.9 -19.4 3.5 9.5 106 23 B G > - 0 0 26 -2,-0.7 4,-1.3 1,-0.0 3,-0.4 -0.874 68.0 -93.4-146.8 179.7 -16.2 5.4 9.4 107 24 B G H > S+ 0 0 26 -2,-0.3 4,-0.9 1,-0.2 5,-0.2 0.760 114.3 69.1 -70.2 -25.3 -14.2 8.2 10.9 108 25 B Y H > S+ 0 0 90 1,-0.2 4,-2.8 2,-0.2 3,-0.5 0.900 101.6 46.0 -60.1 -40.2 -15.4 10.6 8.2 109 26 B S H > S+ 0 0 17 -3,-0.4 4,-3.0 1,-0.2 -1,-0.2 0.918 108.1 55.7 -68.7 -42.1 -18.9 10.5 9.7 110 27 B A H < S+ 0 0 53 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.653 116.4 39.2 -65.3 -15.5 -17.5 10.9 13.3 111 28 B S H X S+ 0 0 16 -4,-0.9 4,-1.0 -3,-0.5 -2,-0.2 0.789 118.7 43.5-101.3 -39.3 -15.9 14.1 12.0 112 29 B F H X S+ 0 0 132 -4,-2.8 4,-3.1 -5,-0.2 5,-0.4 0.847 104.3 64.9 -76.8 -35.6 -18.6 15.5 9.7 113 30 B R H X S+ 0 0 145 -4,-3.0 4,-2.0 -5,-0.2 5,-0.2 0.957 107.8 37.8 -53.8 -59.3 -21.5 14.8 12.1 114 31 B P H > S+ 0 0 74 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.875 118.2 53.0 -61.7 -36.6 -20.4 17.2 14.9 115 32 B L H >X S+ 0 0 93 -4,-1.0 4,-2.4 2,-0.2 3,-0.5 0.972 113.3 38.7 -63.6 -57.2 -19.2 19.8 12.3 116 33 B H H 3X S+ 0 0 74 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.801 114.0 57.2 -66.7 -27.7 -22.4 20.0 10.3 117 34 B A H 3< S+ 0 0 68 -4,-2.0 -1,-0.2 -5,-0.4 -2,-0.2 0.805 113.8 38.5 -72.4 -29.1 -24.5 19.8 13.4 118 35 B F H << S+ 0 0 190 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.781 122.9 41.6 -89.5 -31.1 -22.8 22.9 14.9 119 36 B L H < S+ 0 0 123 -4,-2.4 2,-0.2 -5,-0.2 -2,-0.2 0.847 126.2 9.0 -85.6 -37.3 -22.6 24.7 11.6 120 37 B Q < - 0 0 65 -4,-2.6 2,-0.3 -5,-0.2 -1,-0.1 -0.792 61.3-154.3-136.6 178.0 -26.0 24.0 10.2 121 38 B G + 0 0 30 -2,-0.2 -4,-0.1 1,-0.1 -3,-0.0 -0.985 68.2 30.5-154.6 157.8 -29.4 22.4 11.1 122 39 B E S S+ 0 0 147 -2,-0.3 -30,-0.5 1,-0.2 -27,-0.3 0.797 78.3 170.3 61.8 31.7 -32.4 20.7 9.6 123 40 B C - 0 0 29 -28,-0.1 2,-0.2 1,-0.1 -1,-0.2 -0.353 37.5-102.0 -73.9 153.6 -30.1 19.3 6.9 124 41 B E - 0 0 4 -28,-1.4 2,-0.5 -32,-0.1 -26,-0.3 -0.547 23.4-158.9 -79.0 138.7 -31.3 16.7 4.4 125 42 B M + 0 0 117 -35,-0.7 2,-0.6 -2,-0.2 -26,-0.1 -0.648 21.9 169.3-118.0 71.5 -30.3 13.1 5.0 126 43 B L E + c 0 99A 3 -28,-0.9 -26,-1.5 -2,-0.5 2,-0.3 -0.764 7.4 164.4 -88.4 117.7 -30.8 11.5 1.6 127 44 B A E -Ac 88 100A 27 -39,-2.5 -39,-2.6 -2,-0.6 2,-0.2 -0.977 36.2-114.4-135.4 147.4 -29.3 8.0 1.4 128 45 B A E -A 87 0A 19 -28,-2.3 -41,-0.2 -2,-0.3 -26,-0.2 -0.551 28.1-141.9 -80.3 145.0 -29.7 5.1 -1.0 129 46 B E E -A 86 0A 101 -43,-2.3 -43,-0.8 -2,-0.2 -1,-0.0 -0.861 24.7-100.7-110.9 143.4 -31.3 1.9 0.2 130 47 B P - 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