==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 23-FEB-00 1EI1 . COMPND 2 MOLECULE: DNA GYRASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.BRINO,A.URZHUMTSEV,P.OUDET,D.MORAS . 782 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30792.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 582 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 146 18.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 . 57 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 240 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.9 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 3 5 0 4 0 1 0 1 0 0 2 0 0 0 0 2 2 2 0 0 0 1 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 0 3 1 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 . 6 6 0 4 4 0 4 4 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 . 2 2 0 2 0 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 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 2 A S 0 0 95 0, 0.0 498,-0.1 0, 0.0 497,-0.0 0.000 360.0 360.0 360.0 -35.3 7.9 16.6 -3.2 2 3 A N + 0 0 126 3,-0.0 2,-1.8 465,-0.0 497,-0.1 0.223 360.0 132.1-164.1 1.8 6.9 13.3 -1.6 3 4 A S + 0 0 49 495,-0.3 2,-0.1 1,-0.1 0, 0.0 -0.459 29.6 126.5 -70.2 83.5 10.3 12.0 -0.4 4 5 A S + 0 0 23 -2,-1.8 2,-0.2 465,-0.0 -1,-0.1 -0.447 20.7 127.1-146.0 68.7 9.4 11.0 3.2 5 6 A D S >> S- 0 0 89 465,-0.1 3,-1.9 -2,-0.1 4,-0.7 -0.642 73.1 -93.6-114.8 175.3 10.2 7.5 4.4 6 7 A S G >4 S+ 0 0 20 1,-0.3 3,-1.0 -2,-0.2 468,-0.1 0.860 125.1 60.2 -57.7 -32.9 12.1 6.2 7.5 7 8 A S G 34 S+ 0 0 73 1,-0.3 -1,-0.3 467,-0.1 467,-0.0 0.615 91.0 71.0 -67.2 -18.5 15.3 6.0 5.3 8 9 A S G <4 S+ 0 0 21 -3,-1.9 2,-0.4 2,-0.1 -1,-0.3 0.876 82.2 82.4 -64.6 -39.6 14.9 9.7 4.8 9 10 A I << - 0 0 11 -3,-1.0 2,-0.4 -4,-0.7 484,-0.3 -0.558 69.8-162.6 -73.6 120.9 15.9 10.4 8.4 10 11 A K E -A 492 0A 108 482,-2.5 482,-1.9 -2,-0.4 2,-0.6 -0.835 9.0-152.0-108.4 143.1 19.6 10.3 8.8 11 12 A V E -A 491 0A 12 -2,-0.4 2,-0.8 480,-0.2 480,-0.2 -0.960 9.4-148.5-116.9 113.6 21.5 9.9 12.1 12 13 A L - 0 0 21 478,-2.6 5,-0.2 -2,-0.6 2,-0.2 -0.749 20.9-160.8 -86.0 109.8 24.9 11.5 12.2 13 14 A K > - 0 0 90 -2,-0.8 3,-1.8 3,-0.1 2,-0.3 -0.498 49.8 -7.6 -89.2 159.2 27.0 9.4 14.5 14 15 A G T 3 S- 0 0 54 1,-0.3 83,-0.3 -2,-0.2 3,-0.2 -0.405 129.9 -23.5 63.9-120.0 30.2 10.3 16.3 15 16 A L T 3> S+ 0 0 13 -2,-0.3 4,-1.9 131,-0.1 3,-0.4 0.351 109.0 103.5-106.6 5.2 31.6 13.7 15.3 16 17 A D H <> S+ 0 0 65 -3,-1.8 4,-2.1 1,-0.2 -2,-0.1 0.800 76.3 58.5 -55.6 -34.8 29.8 13.7 11.9 17 18 A A H > S+ 0 0 1 -5,-0.2 4,-3.5 2,-0.2 -1,-0.2 0.944 105.9 48.5 -61.2 -46.2 27.2 16.1 13.2 18 19 A V H 4 S+ 0 0 0 -3,-0.4 -2,-0.2 1,-0.2 -1,-0.2 0.909 112.5 47.1 -60.8 -47.0 29.9 18.6 14.0 19 20 A R H < S+ 0 0 108 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.863 116.1 47.5 -62.0 -35.9 31.6 18.3 10.5 20 21 A K H < S+ 0 0 77 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.954 130.3 18.4 -69.2 -54.3 28.1 18.6 9.0 21 22 A R >< + 0 0 13 -4,-3.5 3,-0.6 1,-0.1 4,-0.3 -0.593 69.7 159.6-119.8 69.3 27.0 21.6 11.0 22 23 A P T >>> + 0 0 11 0, 0.0 4,-3.3 0, 0.0 3,-2.0 0.864 65.0 73.9 -59.5 -34.9 30.2 23.2 12.4 23 24 A G H 3>5S+ 0 0 6 1,-0.3 4,-1.5 2,-0.2 703,-0.1 0.847 91.2 49.8 -46.1 -53.0 28.4 26.5 12.9 24 25 A M H <45S+ 0 0 1 -3,-0.6 310,-0.5 1,-0.2 702,-0.3 0.524 123.0 36.6 -69.0 -3.2 26.3 25.6 15.9 25 26 A Y H <45S+ 0 0 1 -3,-2.0 -2,-0.2 -4,-0.3 -1,-0.2 0.752 136.6 10.6-113.4 -46.7 29.5 24.3 17.5 26 27 A I H <5S- 0 0 1 -4,-3.3 2,-0.3 1,-0.3 -3,-0.2 0.542 93.2-136.6-114.5 -10.5 32.3 26.6 16.4 27 28 A G << + 0 0 3 -4,-1.5 2,-0.5 -5,-0.7 -1,-0.3 -0.704 67.1 17.8 93.4-145.8 30.5 29.5 14.8 28 29 A D - 0 0 20 -2,-0.3 6,-2.7 1,-0.1 7,-0.4 -0.545 56.2-170.4 -71.1 119.2 31.6 31.2 11.5 29 30 A T S S+ 0 0 8 -2,-0.5 147,-2.3 703,-0.2 -1,-0.1 0.296 78.4 47.3 -93.3 8.4 33.9 28.9 9.6 30 31 A D S S+ 0 0 34 145,-0.2 148,-1.9 702,-0.2 -1,-0.1 0.665 101.7 52.9-121.7 -28.7 34.9 31.5 7.0 31 32 A D S S- 0 0 79 146,-0.2 -2,-0.1 148,-0.0 146,-0.1 0.455 109.7-103.7 -93.0 1.4 35.8 34.8 8.6 32 33 A G S > S+ 0 0 4 -4,-0.3 4,-2.5 146,-0.2 5,-0.3 0.235 95.7 108.7 99.2 -16.9 38.4 33.4 11.1 33 34 A T H > S+ 0 0 77 2,-0.2 4,-1.9 1,-0.2 -4,-0.1 0.980 86.9 36.2 -53.5 -62.4 36.1 33.6 14.1 34 35 A G H > S+ 0 0 0 -6,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.872 112.5 61.2 -62.1 -38.5 35.6 29.9 14.3 35 36 A L H >> S+ 0 0 0 -7,-0.4 3,-0.8 1,-0.2 4,-0.7 0.942 111.2 37.6 -54.9 -53.7 39.2 29.2 13.3 36 37 A H H 3X S+ 0 0 3 -4,-2.5 4,-2.2 1,-0.3 3,-0.5 0.821 108.0 64.8 -69.7 -28.4 40.7 31.1 16.3 37 38 A H H 3X S+ 0 0 32 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.3 0.812 92.5 65.2 -63.9 -26.0 37.9 29.7 18.5 38 39 A M H X S+ 0 0 9 -4,-1.2 4,-1.4 -3,-0.4 3,-1.0 0.978 114.0 49.4 -68.3 -59.0 41.8 24.1 23.7 43 44 A V H 3X S+ 0 0 2 -4,-2.9 4,-2.9 1,-0.3 3,-0.3 0.874 105.4 59.5 -49.7 -44.9 43.4 26.9 25.8 44 45 A D H 3X S+ 0 0 11 -4,-2.3 4,-2.0 1,-0.3 68,-0.3 0.869 101.8 53.7 -54.6 -38.8 40.2 27.2 27.9 45 46 A N H S+ 0 0 11 -4,-1.2 5,-2.7 2,-0.2 6,-1.0 0.845 111.9 49.4 -65.0 -34.7 43.3 23.2 35.0 50 51 A A H ><5S+ 0 0 12 -4,-1.7 3,-1.4 4,-0.2 -2,-0.3 0.886 108.8 49.7 -70.8 -40.8 44.8 26.6 36.0 51 52 A L H 3<5S+ 0 0 50 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.836 107.4 56.5 -66.4 -31.5 41.6 27.6 37.7 52 53 A A T 3<5S- 0 0 27 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.437 120.5-113.6 -78.4 -1.0 41.7 24.3 39.5 53 54 A G T < 5S+ 0 0 43 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.817 91.8 99.7 73.9 34.1 45.2 25.2 40.8 54 55 A H < + 0 0 43 -5,-2.7 2,-0.4 1,-0.1 -4,-0.2 0.579 66.5 64.1-121.2 -20.2 47.1 22.5 38.8 55 56 A C + 0 0 2 -6,-1.0 19,-0.2 -9,-0.1 -2,-0.2 -0.905 41.4 165.2-113.3 132.2 48.5 24.3 35.8 56 57 A K + 0 0 109 -2,-0.4 145,-3.6 1,-0.3 2,-0.4 0.491 67.8 42.5-117.3 -16.8 51.1 27.1 36.1 57 58 A E E -b 201 0B 59 143,-0.3 16,-1.3 -11,-0.1 2,-0.4 -0.996 52.3-179.6-139.1 138.6 52.3 27.3 32.5 58 59 A I E -bC 202 72B 0 143,-3.1 145,-3.1 -2,-0.4 2,-0.5 -0.996 7.4-169.1-133.9 126.6 50.6 27.2 29.1 59 60 A I E -bC 203 71B 32 12,-2.3 12,-2.6 -2,-0.4 2,-0.5 -0.995 3.2-170.0-121.0 120.2 52.6 27.5 25.9 60 61 A V E -bC 204 70B 0 143,-3.4 145,-2.4 -2,-0.5 2,-0.4 -0.957 6.9-167.7-113.6 128.8 50.6 28.0 22.7 61 62 A T E -bC 205 69B 17 8,-2.4 8,-2.1 -2,-0.5 2,-0.6 -0.975 17.9-153.2-123.1 130.7 52.5 27.7 19.5 62 63 A I E -bC 206 68B 0 143,-2.8 145,-3.4 -2,-0.4 146,-0.3 -0.927 29.5-148.4 -97.6 118.8 51.4 28.7 16.0 63 64 A H > - 0 0 21 4,-2.9 3,-1.6 -2,-0.6 145,-0.1 -0.493 21.8-111.3 -88.3 163.8 53.4 26.4 13.7 64 65 A A T 3 S+ 0 0 71 1,-0.3 -1,-0.1 143,-0.2 144,-0.0 0.821 116.9 58.7 -63.6 -30.0 54.7 27.2 10.2 65 66 A D T 3 S- 0 0 84 1,-0.0 -1,-0.3 2,-0.0 3,-0.1 0.353 122.7-104.8 -80.7 5.4 52.3 24.7 8.7 66 67 A N S < S+ 0 0 30 -3,-1.6 2,-0.3 1,-0.3 -2,-0.1 0.844 81.4 124.4 72.7 37.3 49.4 26.6 10.2 67 68 A S - 0 0 0 102,-0.1 -4,-2.9 -4,-0.1 2,-0.4 -0.744 47.9-145.0-114.2 165.6 48.6 24.2 13.0 68 69 A V E -CD 62 168B 0 100,-1.8 100,-2.6 -2,-0.3 2,-0.3 -0.996 9.4-164.5-137.2 141.0 48.5 25.3 16.6 69 70 A S E -CD 61 167B 12 -8,-2.1 -8,-2.4 -2,-0.4 2,-0.4 -0.923 4.0-160.5-123.9 147.6 49.5 23.4 19.8 70 71 A V E -CD 60 166B 2 96,-1.9 96,-2.0 -2,-0.3 2,-0.4 -0.996 9.6-171.3-130.8 124.3 48.6 24.2 23.4 71 72 A Q E -CD 59 165B 61 -12,-2.6 -12,-2.3 -2,-0.4 2,-0.3 -0.947 5.1-179.7-117.3 132.4 50.7 22.7 26.1 72 73 A D E -CD 58 164B 12 92,-2.3 92,-1.0 -2,-0.4 2,-0.3 -0.946 31.5-136.6-130.4 155.5 49.9 22.9 29.8 73 74 A D + 0 0 61 -16,-1.3 90,-0.2 -2,-0.3 -17,-0.2 -0.428 65.6 122.9-103.5 50.8 51.6 21.6 32.9 74 75 A G S S- 0 0 0 -2,-0.3 -19,-0.1 -19,-0.2 60,-0.1 -0.185 83.3 -70.4 -97.3-162.6 48.3 20.4 34.4 75 76 A R S S- 0 0 6 87,-0.1 88,-0.4 1,-0.1 61,-0.3 0.856 74.1-127.8 -58.4 -37.2 47.0 17.1 35.7 76 77 A G - 0 0 5 86,-0.2 88,-0.2 59,-0.1 -1,-0.1 -0.009 33.2 -62.4 97.9 149.3 46.8 15.7 32.1 77 78 A I - 0 0 25 86,-0.2 13,-0.2 1,-0.1 86,-0.1 -0.479 67.7 -95.6 -66.8 133.6 43.7 14.2 30.4 78 79 A P - 0 0 12 0, 0.0 12,-0.7 0, 0.0 -1,-0.1 -0.294 39.2-173.2 -52.5 127.1 42.7 10.9 32.2 79 80 A T + 0 0 20 10,-0.2 12,-0.1 9,-0.1 10,-0.1 0.689 47.1 111.2 -96.3 -21.1 44.4 8.1 30.4 80 81 A G S S- 0 0 33 8,-0.2 9,-2.4 1,-0.1 10,-0.2 -0.147 82.8 -94.2 -55.6 142.8 42.6 5.3 32.3 81 82 A I B -J 88 0C 101 7,-0.3 7,-0.3 8,-0.1 317,-0.1 -0.304 44.6-108.6 -57.8 142.4 40.1 3.2 30.3 82 83 A H > - 0 0 16 5,-3.4 4,-2.4 1,-0.1 5,-0.3 -0.700 21.4-129.4 -80.5 126.3 36.6 4.6 30.7 83 84 A P T 4 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 316,-0.1 0.791 103.5 18.9 -38.8 -49.8 34.4 2.2 32.9 84 85 A E T 4 S+ 0 0 162 1,-0.1 -2,-0.0 3,-0.1 -3,-0.0 0.753 121.6 57.4-100.5 -27.3 31.6 2.1 30.3 85 86 A E T 4 S- 0 0 65 2,-0.2 3,-0.1 1,-0.1 -1,-0.1 0.684 86.2-144.9 -78.6 -20.3 33.2 3.3 27.1 86 87 A G S < S+ 0 0 59 -4,-2.4 2,-0.3 1,-0.2 -5,-0.1 0.677 70.4 87.3 63.6 19.2 35.8 0.5 27.1 87 88 A V S S- 0 0 36 -5,-0.3 -5,-3.4 -7,-0.1 -1,-0.2 -0.883 94.6 -66.0-139.8 163.8 38.4 2.9 25.6 88 89 A S B > -J 81 0C 9 -7,-0.3 4,-2.3 -2,-0.3 3,-0.4 -0.230 38.6-126.1 -56.3 142.7 40.8 5.5 27.1 89 90 A A H > S+ 0 0 0 -9,-2.4 4,-2.7 1,-0.3 5,-0.2 0.888 114.5 57.9 -54.7 -37.5 39.2 8.4 29.0 90 91 A A H > S+ 0 0 0 -12,-0.7 4,-1.5 1,-0.2 -1,-0.3 0.883 107.5 44.7 -60.3 -42.8 41.4 10.5 26.7 91 92 A E H > S+ 0 0 32 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.828 110.5 56.0 -72.5 -31.1 39.8 8.9 23.6 92 93 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 3,-0.5 0.975 109.7 44.2 -64.1 -50.2 36.4 9.3 25.0 93 94 A I H < S+ 0 0 16 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.830 114.4 51.4 -64.0 -31.2 36.7 13.0 25.6 94 95 A M H < S+ 0 0 0 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.784 123.6 23.9 -80.1 -24.6 38.3 13.5 22.1 95 96 A T H < S+ 0 0 25 -4,-1.7 2,-0.6 -3,-0.5 -2,-0.2 0.499 105.1 78.5-119.8 -6.8 35.6 11.6 20.1 96 97 A V S >< S- 0 0 37 -4,-2.3 3,-0.6 -5,-0.2 24,-0.1 -0.916 70.3-135.2-112.0 118.7 32.4 11.8 22.1 97 98 A L T 3 S+ 0 0 28 -2,-0.6 20,-0.2 -83,-0.3 307,-0.2 -0.451 91.2 21.3 -66.2 138.9 30.2 14.9 22.3 98 99 A H T 3 S+ 0 0 6 18,-2.3 306,-3.0 1,-0.2 2,-0.4 0.932 91.7 121.9 65.2 52.5 29.1 15.7 25.8 99 100 A A E < +K 403 0D 4 17,-1.6 2,-0.3 -3,-0.6 304,-0.2 -0.961 33.8 98.7-143.4 116.1 31.8 13.7 27.7 100 101 A G E S-K 402 0D 10 302,-1.8 302,-2.4 -2,-0.4 3,-0.4 -0.973 76.1 -88.9-176.9-178.1 34.0 15.5 30.1 101 102 A G S S+ 0 0 6 -2,-0.3 6,-0.6 300,-0.3 7,-0.4 0.103 99.6 83.4 -99.2 23.2 34.7 16.3 33.8 102 103 A K + 0 0 24 300,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.093 56.1 93.2-113.0 24.4 32.6 19.4 34.0 103 104 A F S S+ 0 0 16 -3,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.318 102.8 11.2 -94.5 10.0 29.2 18.0 34.6 104 105 A D S S- 0 0 61 -3,-0.3 4,-0.5 4,-0.1 3,-0.4 -0.948 86.9 -98.1-170.0 169.6 29.9 18.4 38.3 105 106 A D S S+ 0 0 82 -2,-0.3 -3,-0.1 1,-0.2 5,-0.1 0.054 86.6 103.8 -91.7 28.2 32.4 20.1 40.6 106 107 A N S S+ 0 0 98 -5,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.948 95.4 18.2 -74.7 -50.6 34.6 17.0 41.3 107 108 A S S S+ 0 0 8 -6,-0.6 2,-0.4 -3,-0.4 -2,-0.1 0.760 139.2 29.6 -90.1 -28.3 37.6 17.7 39.1 108 109 A Y - 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0 0 0 -11,-0.8 3,-1.7 1,-0.2 4,-0.5 -0.489 48.0-158.5 -67.9 105.7 22.2 32.7 34.3 342 343 A S H >> S+ 0 0 43 -2,-0.8 3,-1.3 1,-0.3 4,-1.1 0.819 83.8 68.9 -55.2 -38.4 19.8 35.1 35.9 343 344 A E H 3> S+ 0 0 80 1,-0.3 4,-1.5 2,-0.2 -1,-0.3 0.685 92.4 61.4 -58.6 -18.4 21.2 34.6 39.4 344 345 A V H <> S+ 0 0 0 -3,-1.7 4,-3.1 2,-0.2 5,-0.3 0.809 95.6 59.0 -79.7 -28.1 24.4 36.4 38.3 345 346 A K H S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.6 0.892 109.5 55.3 -61.1 -45.9 28.3 46.7 42.7 353 354 A N H X5S+ 0 0 25 -4,-2.9 4,-0.5 -5,-0.2 -1,-0.2 0.824 115.5 39.6 -58.8 -33.2 25.5 48.7 44.4 354 355 A E H X5S+ 0 0 98 -4,-2.0 4,-2.4 -3,-0.3 -2,-0.2 0.976 122.5 34.6 -80.1 -62.4 27.2 48.2 47.7 355 356 A L H X5S+ 0 0 28 -4,-2.4 4,-2.8 2,-0.2 -3,-0.2 0.787 116.7 53.1 -65.7 -33.4 30.9 48.6 47.0 356 357 A L H X5S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.4 5,-0.2 0.929 109.5 51.2 -68.7 -43.2 30.6 51.2 44.3 357 358 A A H X S+ 0 0 77 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.862 75.2 52.9 -53.5 -55.3 35.9 61.9 47.1 365 366 A T H > S+ 0 0 82 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.958 114.8 44.0 -49.0 -53.2 38.4 63.4 44.7 366 367 A D H > S+ 0 0 5 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.919 114.1 50.4 -57.2 -49.6 37.7 60.5 42.3 367 368 A A H X S+ 0 0 0 -4,-2.5 4,-3.3 -7,-0.3 5,-0.3 0.938 111.2 45.8 -57.0 -53.8 33.9 60.8 42.8 368 369 A K H X S+ 0 0 114 -4,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.909 115.1 50.1 -58.1 -42.3 33.7 64.5 42.1 369 370 A I H X S+ 0 0 42 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.964 114.2 41.7 -59.6 -58.5 36.0 64.1 39.1 370 371 A V H X S+ 0 0 1 -4,-3.1 4,-3.0 1,-0.2 -2,-0.2 0.938 115.6 50.3 -55.6 -49.5 34.0 61.3 37.5 371 372 A V H X S+ 0 0 0 -4,-3.3 4,-3.1 1,-0.3 -1,-0.2 0.856 106.7 56.6 -57.6 -35.3 30.7 63.0 38.4 372 373 A G H X S+ 0 0 27 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.3 0.952 109.2 46.0 -60.3 -44.8 32.2 66.1 36.8 373 374 A K H X S+ 0 0 27 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.945 111.6 50.3 -62.5 -48.6 32.6 63.9 33.7 374 375 A I H X S+ 0 0 2 -4,-3.0 4,-3.2 1,-0.2 5,-0.3 0.937 110.1 51.6 -54.6 -49.9 29.1 62.5 33.9 375 376 A I H X S+ 0 0 24 -4,-3.1 4,-3.2 1,-0.2 5,-0.3 0.939 110.3 46.9 -52.2 -55.6 27.7 66.0 34.3 376 377 A D H X S+ 0 0 83 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.870 114.5 49.1 -56.8 -38.7 29.6 67.3 31.2 377 378 A A H X S+ 0 0 6 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.913 113.4 44.4 -68.6 -43.9 28.4 64.2 29.3 378 379 A A H X S+ 0 0 2 -4,-3.2 4,-1.3 2,-0.2 -2,-0.2 0.889 116.2 48.1 -68.1 -39.2 24.7 64.6 30.3 379 380 A R H >X S+ 0 0 105 -4,-3.2 4,-2.3 -5,-0.3 3,-1.0 0.973 112.2 48.2 -63.5 -51.5 24.9 68.3 29.6 380 381 A A H 3X S+ 0 0 23 -4,-2.9 4,-2.6 1,-0.3 5,-0.3 0.787 103.6 63.2 -59.1 -29.1 26.5 67.6 26.2 381 382 A R H 3X S+ 0 0 119 -4,-1.6 4,-1.1 1,-0.2 -1,-0.3 0.896 111.3 37.4 -62.2 -38.8 23.8 65.0 25.6 382 383 A E H X S+ 0 0 25 -4,-2.3 4,-1.8 2,-0.2 3,-0.6 0.985 116.7 40.0 -67.0 -54.0 23.4 70.5 24.0 384 385 A A H 3X S+ 0 0 19 -4,-2.6 4,-2.6 1,-0.3 -2,-0.2 0.863 112.3 59.2 -59.8 -36.0 23.9 68.1 21.1 385 386 A R H 3X S+ 0 0 100 -4,-1.1 4,-2.0 -5,-0.3 -1,-0.3 0.855 103.4 52.0 -60.4 -38.4 20.2 67.1 21.6 386 387 A R H << S+ 0 0 125 -4,-1.8 -2,-0.2 -3,-0.6 -1,-0.2 0.996 114.9 38.4 -62.3 -61.7 19.2 70.7 20.9 387 388 A A H >< S+ 0 0 26 -4,-1.8 3,-1.5 1,-0.2 -2,-0.2 0.820 111.1 63.9 -57.8 -34.3 21.1 71.1 17.7 388 389 A R H >< S+ 0 0 88 -4,-2.6 3,-0.5 1,-0.3 -1,-0.2 0.981 112.5 31.6 -54.3 -62.7 20.1 67.5 16.8 389 390 A E T 3< S+ 0 0 126 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 -0.028 107.3 76.5 -89.7 35.4 16.4 68.2 16.6 390 391 A M T < 0 0 107 -3,-1.5 -1,-0.2 382,-0.1 -2,-0.1 -0.159 360.0 360.0-132.4 34.2 17.1 71.8 15.4 391 392 A T < 0 0 92 -3,-0.5 384,-0.2 378,-0.0 -4,-0.1 -0.230 360.0 360.0 62.4 360.0 17.9 70.8 11.8 392 !* 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 0.0 393 402 B S 0 0 105 0, 0.0 2,-0.2 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 -68.2 45.3 12.9 41.0 394 403 B N - 0 0 71 3,-0.0 -319,-0.0 -287,-0.0 0, 0.0 -0.618 360.0 -55.8-132.4 68.8 42.5 15.3 42.2 395 404 B S S S+ 0 0 79 -2,-0.2 -287,-0.1 1,-0.1 -289,-0.0 0.830 104.7 130.6 60.4 32.2 39.3 13.4 41.4 396 405 B S + 0 0 6 -289,-0.1 -1,-0.1 -290,-0.1 -289,-0.0 0.002 27.3 137.7-104.3 26.2 40.8 13.3 37.8 397 406 B D S > S- 0 0 97 1,-0.1 3,-2.0 -319,-0.1 4,-0.3 -0.096 74.8-102.6 -64.3 168.0 40.2 9.6 37.4 398 407 B S G > S+ 0 0 11 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.811 126.2 63.7 -62.1 -26.7 38.9 8.2 34.0 399 408 B S G 3 S+ 0 0 72 1,-0.3 -1,-0.3 -317,-0.1 -2,-0.1 0.521 84.9 72.1 -73.9 -7.7 35.6 8.0 36.0 400 409 B S G < S+ 0 0 14 -3,-2.0 2,-1.0 1,-0.1 -1,-0.3 0.604 80.0 87.3 -81.2 -11.3 35.6 11.8 36.4 401 410 B I < - 0 0 11 -3,-1.4 2,-0.4 -4,-0.3 -300,-0.3 -0.790 69.2-164.6 -91.1 102.2 34.8 11.9 32.7 402 411 B K E -K 100 0D 100 -302,-2.4 -302,-1.8 -2,-1.0 2,-0.5 -0.755 6.6-152.6 -91.6 131.4 31.0 11.6 32.6 403 412 B V E -K 99 0D 4 -2,-0.4 2,-0.7 -304,-0.2 -304,-0.2 -0.921 8.6-147.3-104.5 122.4 29.3 10.8 29.2 404 413 B L - 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0 0 0 -11,-0.6 3,-2.4 1,-0.2 4,-0.5 -0.598 47.2-159.8 -76.7 95.4 26.9 31.6 5.3 734 743 B S H >> S+ 0 0 34 -2,-1.4 3,-1.4 1,-0.3 4,-0.7 0.824 83.7 63.1 -41.0 -49.9 29.5 33.9 3.7 735 744 B E H 3> S+ 0 0 84 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.680 93.0 66.7 -55.4 -19.9 28.2 33.5 0.1 736 745 B V H <> S+ 0 0 0 -3,-2.4 4,-2.6 2,-0.2 5,-0.3 0.877 89.1 63.4 -73.1 -33.8 24.9 35.0 1.1 737 746 B K H S+ 0 0 0 -4,-2.7 4,-2.4 3,-0.2 5,-0.5 0.926 112.3 52.1 -64.2 -44.7 20.6 45.4 -3.5 745 754 B N H X5S+ 0 0 32 -4,-3.3 4,-0.9 -5,-0.2 -2,-0.2 0.925 120.0 32.4 -57.7 -49.5 23.3 47.3 -5.3 746 755 B E H X5S+ 0 0 97 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.980 124.4 40.9 -74.1 -58.6 21.7 46.9 -8.7 747 756 B L H X5S+ 0 0 28 -4,-2.3 4,-2.1 -5,-0.2 -3,-0.2 0.831 115.3 49.0 -63.0 -37.1 18.0 46.8 -7.9 748 757 B L H X5S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.4 -1,-0.2 0.888 109.5 53.6 -71.0 -37.4 18.0 49.6 -5.3 749 758 B A H X S+ 0 0 77 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.861 77.7 50.2 -54.1 -47.6 12.6 60.2 -8.3 757 766 B T H > S+ 0 0 96 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.944 115.3 43.0 -59.8 -49.9 10.1 61.5 -5.9 758 767 B D H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.962 114.4 50.9 -59.9 -52.6 10.8 58.6 -3.4 759 768 B A H X S+ 0 0 0 -4,-3.2 4,-3.1 -7,-0.3 -2,-0.2 0.903 112.2 46.8 -51.2 -49.0 14.5 58.9 -4.0 760 769 B K H X S+ 0 0 125 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.934 111.3 49.7 -61.7 -50.6 14.4 62.7 -3.3 761 770 B I H X S+ 0 0 62 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.892 116.0 44.2 -55.7 -42.9 12.3 62.4 -0.1 762 771 B V H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.941 111.6 51.5 -69.0 -47.1 14.6 59.7 1.2 763 772 B V H X S+ 0 0 1 -4,-3.1 4,-3.2 -5,-0.2 5,-0.2 0.883 107.4 54.9 -57.2 -39.6 17.8 61.5 0.3 764 773 B G H X S+ 0 0 36 -4,-2.8 4,-3.4 1,-0.2 5,-0.3 0.969 107.7 49.3 -57.8 -50.1 16.4 64.6 2.1 765 774 B K H X S+ 0 0 27 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.899 112.7 47.3 -56.1 -43.8 16.0 62.5 5.2 766 775 B I H X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 5,-0.2 0.965 114.1 46.1 -62.8 -53.5 19.5 61.1 4.9 767 776 B I H X S+ 0 0 18 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.941 113.7 49.3 -52.5 -52.6 21.1 64.6 4.3 768 777 B D H X S+ 0 0 76 -4,-3.4 4,-3.2 -5,-0.2 5,-0.3 0.900 111.4 50.3 -55.0 -42.8 19.0 66.0 7.2 769 778 B A H X S+ 0 0 5 -4,-2.5 4,-3.1 -5,-0.3 -2,-0.2 0.959 110.6 47.6 -61.1 -51.2 20.2 63.1 9.3 770 779 B A H X S+ 0 0 1 -4,-3.2 4,-2.2 2,-0.2 -1,-0.2 0.823 114.4 50.3 -59.3 -32.0 23.8 63.7 8.4 771 780 B R H X S+ 0 0 80 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.987 112.5 42.0 -69.5 -61.3 23.2 67.4 9.2 772 781 B A H X S+ 0 0 8 -4,-3.2 4,-2.3 2,-0.2 -2,-0.2 0.866 114.5 56.3 -53.8 -38.7 21.5 66.9 12.6 773 782 B R H X S+ 0 0 57 -4,-3.1 4,-1.6 -5,-0.3 3,-0.4 0.985 113.5 35.5 -57.8 -63.8 24.2 64.3 13.4 774 783 B E H X S+ 0 0 40 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.757 112.2 61.8 -64.8 -24.0 27.2 66.6 12.7 775 784 B A H X S+ 0 0 22 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.942 106.8 45.6 -64.8 -44.0 25.3 69.5 14.2 776 785 B A H < S+ 0 0 9 -4,-2.3 4,-0.4 -3,-0.4 -2,-0.2 0.819 110.0 55.6 -65.9 -33.6 25.2 67.5 17.4 777 786 B R H >X S+ 0 0 134 -4,-1.6 3,-2.0 1,-0.2 4,-0.7 0.984 111.6 41.6 -62.1 -55.8 28.9 66.8 16.9 778 787 B R H 3X S+ 0 0 110 -4,-3.0 4,-2.3 1,-0.3 3,-0.4 0.830 106.3 66.0 -60.9 -30.2 29.7 70.5 16.7 779 788 B A H 3< S+ 0 0 9 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.626 88.6 68.3 -67.3 -15.1 27.3 71.0 19.6 780 789 B R H <4 S+ 0 0 130 -3,-2.0 3,-0.4 -4,-0.4 -1,-0.2 0.959 108.0 35.4 -67.1 -51.5 29.6 69.0 21.8 781 790 B E H < S+ 0 0 96 -4,-0.7 2,-2.2 -3,-0.4 -2,-0.2 0.934 114.3 59.9 -66.3 -46.2 32.2 71.8 21.7 782 791 B M < 0 0 145 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.1 -0.350 360.0 360.0 -80.6 57.6 29.5 74.4 21.6 783 792 B T 0 0 100 -2,-2.2 -3,-0.1 -3,-0.4 -403,-0.1 -0.310 360.0 360.0 -76.5 360.0 28.2 73.2 25.0