==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 31-MAR-11 3RD3 . COMPND 2 MOLECULE: PROBABLE TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR J.CHOE,Y.KANG . 374 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16693.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 77.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 9 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 235 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 1 0 2 2 1 0 0 0 0 1 2 2 1 0 0 0 0 0 2 1 1 1 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 7 A D > 0 0 170 0, 0.0 4,-2.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -63.6 42.7 17.7 28.0 2 8 A T H > + 0 0 38 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.809 360.0 58.6 -65.1 -32.6 43.8 18.3 31.7 3 9 A R H > S+ 0 0 99 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.976 112.1 41.4 -51.6 -56.0 41.7 21.5 32.0 4 10 A Q H > S+ 0 0 81 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.834 109.8 57.5 -64.9 -36.1 38.7 19.4 31.1 5 11 A H H X S+ 0 0 76 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.947 108.8 47.2 -61.4 -46.8 39.9 16.5 33.3 6 12 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.857 112.3 50.5 -55.0 -41.1 39.9 19.0 36.2 7 13 A L H X S+ 0 0 4 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.948 112.2 44.6 -67.6 -49.6 36.4 20.3 35.3 8 14 A D H X S+ 0 0 84 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.876 116.6 47.7 -59.4 -40.1 34.9 16.8 35.1 9 15 A T H X S+ 0 0 1 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.850 109.4 54.2 -70.0 -37.1 36.7 15.9 38.4 10 16 A G H X S+ 0 0 2 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.896 110.3 47.2 -54.7 -44.8 35.4 19.3 39.8 11 17 A Y H X S+ 0 0 47 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.967 111.4 48.5 -66.3 -51.3 31.8 18.2 38.8 12 18 A R H X S+ 0 0 128 -4,-2.4 4,-0.6 2,-0.2 -2,-0.2 0.926 117.0 42.8 -58.9 -46.4 32.0 14.7 40.3 13 19 A I H >X>S+ 0 0 24 -4,-2.2 4,-2.9 1,-0.2 3,-1.4 0.946 114.3 51.8 -57.1 -53.9 33.5 16.1 43.6 14 20 A M H 3X5S+ 0 0 2 -4,-2.8 4,-0.9 1,-0.3 -2,-0.2 0.837 104.0 58.0 -49.6 -39.6 30.9 19.0 43.5 15 21 A A H 3<5S+ 0 0 1 -4,-3.0 82,-3.1 1,-0.2 -1,-0.3 0.712 119.2 29.2 -66.7 -21.6 28.1 16.5 43.1 16 22 A V H <<5S+ 0 0 31 -3,-1.4 -2,-0.2 -4,-0.6 -1,-0.2 0.780 135.0 17.3-109.6 -36.8 29.0 14.7 46.3 17 23 A K H <5S- 0 0 87 -4,-2.9 4,-0.4 1,-0.3 -3,-0.2 0.516 93.8-125.9-120.0 -6.5 30.6 17.2 48.8 18 24 A G << - 0 0 1 -4,-0.9 -1,-0.3 -5,-0.6 -2,-0.2 -0.398 31.9 -83.2 83.7-171.8 29.7 20.6 47.5 19 25 A F S > S+ 0 0 7 -2,-0.1 3,-0.6 2,-0.1 -1,-0.1 0.808 114.4 50.4-101.4 -36.5 32.3 23.4 46.8 20 26 A S T 3 S+ 0 0 42 1,-0.2 -2,-0.1 87,-0.1 -1,-0.1 0.664 106.0 52.8 -86.7 -18.0 33.1 25.1 50.1 21 27 A G T 3 S+ 0 0 36 -4,-0.4 2,-0.7 2,-0.1 -1,-0.2 0.386 95.3 89.3 -94.0 2.1 33.9 22.1 52.2 22 28 A V < - 0 0 4 -3,-0.6 -1,-0.1 3,-0.0 187,-0.0 -0.888 69.8-143.7-112.0 112.0 36.3 20.8 49.7 23 29 A G > - 0 0 19 -2,-0.7 4,-1.8 1,-0.1 5,-0.1 -0.312 23.2-122.4 -61.2 148.7 40.0 21.9 49.7 24 30 A L H > S+ 0 0 27 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.887 117.3 63.8 -53.1 -45.5 41.9 22.5 46.5 25 31 A N H > S+ 0 0 113 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.897 101.2 49.1 -41.2 -52.5 44.1 19.8 48.0 26 32 A E H > S+ 0 0 73 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.938 110.8 49.1 -57.3 -49.5 41.2 17.3 47.7 27 33 A I H X S+ 0 0 5 -4,-1.8 4,-2.9 1,-0.2 3,-0.3 0.946 111.0 52.6 -54.2 -47.5 40.4 18.3 44.1 28 34 A L H X>S+ 0 0 25 -4,-2.9 4,-1.8 1,-0.2 5,-1.2 0.897 110.7 42.5 -59.0 -53.5 44.1 17.8 43.3 29 35 A Q H <5S+ 0 0 180 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.678 115.4 52.7 -67.9 -20.5 44.5 14.2 44.7 30 36 A S H <5S+ 0 0 79 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.879 114.3 39.9 -79.4 -40.3 41.2 13.2 43.1 31 37 A A H <5S- 0 0 9 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.770 101.4-135.6 -73.7 -24.9 42.1 14.5 39.7 32 38 A G T <5 + 0 0 65 -4,-1.8 -3,-0.2 1,-0.3 -4,-0.1 0.692 60.7 139.2 69.1 18.8 45.7 13.1 40.2 33 39 A V < - 0 0 14 -5,-1.2 -1,-0.3 -6,-0.2 -2,-0.2 -0.812 55.3-118.8 -92.2 129.1 46.7 16.5 38.7 34 40 A P > - 0 0 85 0, 0.0 4,-0.9 0, 0.0 3,-0.3 -0.334 21.3-115.0 -63.7 152.7 49.8 18.2 40.3 35 41 A K H >> S+ 0 0 135 1,-0.2 4,-1.5 2,-0.2 3,-1.0 0.884 113.9 54.4 -50.9 -52.3 49.4 21.7 41.9 36 42 A G H 34 S+ 0 0 59 1,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.860 106.0 53.3 -53.9 -39.4 51.6 23.5 39.4 37 43 A S H 34 S+ 0 0 53 -3,-0.3 3,-0.3 1,-0.2 -1,-0.3 0.719 103.7 57.3 -74.6 -22.5 49.5 22.2 36.5 38 44 A F H XX S+ 0 0 0 -3,-1.0 3,-2.4 -4,-0.9 4,-1.8 0.939 101.9 53.4 -67.6 -51.3 46.3 23.6 38.1 39 45 A Y T 3< S+ 0 0 102 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.451 98.1 67.0 -70.4 0.2 47.5 27.2 38.3 40 46 A H T 34 S+ 0 0 142 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.2 0.576 113.9 27.7 -92.1 -16.1 48.3 27.0 34.6 41 47 A Y T <4 S+ 0 0 82 -3,-2.4 2,-0.3 1,-0.3 -2,-0.2 0.633 127.4 33.0-115.4 -25.9 44.5 26.7 33.8 42 48 A F < - 0 0 6 -4,-1.8 -1,-0.3 1,-0.1 3,-0.1 -0.993 58.3-147.7-141.0 139.2 42.9 28.5 36.7 43 49 A K S S- 0 0 156 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.1 0.709 81.8 -7.4 -74.4 -19.4 44.0 31.5 38.8 44 50 A S > - 0 0 51 -6,-0.1 4,-0.9 1,-0.1 -1,-0.1 -0.914 66.7-102.4-165.2 167.8 42.2 30.2 41.9 45 51 A K H > S+ 0 0 41 -2,-0.3 4,-1.6 2,-0.2 -1,-0.1 0.818 124.0 52.9 -76.4 -34.1 39.9 27.6 43.5 46 52 A E H > S+ 0 0 97 2,-0.2 4,-1.9 1,-0.2 -1,-0.1 0.913 110.2 45.1 -65.6 -45.8 37.3 30.4 43.4 47 53 A Q H > S+ 0 0 65 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.788 109.7 55.5 -67.6 -29.7 37.8 31.0 39.7 48 54 A F H X S+ 0 0 0 -4,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.849 107.3 51.6 -68.8 -37.2 37.8 27.2 39.0 49 55 A G H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.897 108.6 49.3 -63.3 -47.2 34.4 27.2 40.7 50 56 A Q H X S+ 0 0 49 -4,-1.9 4,-3.1 2,-0.2 5,-0.2 0.942 110.3 51.4 -55.0 -52.3 33.1 30.0 38.5 51 57 A A H X S+ 0 0 11 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.931 110.0 49.4 -51.3 -54.3 34.4 28.1 35.4 52 58 A L H X S+ 0 0 10 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.915 115.1 43.5 -48.7 -53.3 32.6 25.0 36.5 53 59 A L H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.927 113.9 50.3 -57.8 -51.3 29.3 26.9 37.1 54 60 A E H X S+ 0 0 109 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.939 114.8 43.9 -50.2 -55.1 29.6 28.8 33.9 55 61 A D H X S+ 0 0 27 -4,-3.1 4,-1.9 -5,-0.2 5,-0.2 0.829 112.9 54.0 -58.8 -40.0 30.2 25.6 31.9 56 62 A Y H X S+ 0 0 33 -4,-2.2 4,-1.9 -5,-0.3 -2,-0.2 0.937 109.8 44.4 -65.8 -48.1 27.4 23.9 33.9 57 63 A F H X S+ 0 0 12 -4,-3.1 4,-3.3 2,-0.2 5,-0.2 0.839 111.2 54.7 -67.4 -34.1 24.7 26.5 33.1 58 64 A R H X S+ 0 0 132 -4,-1.8 4,-2.7 -5,-0.2 5,-0.2 0.952 111.1 42.0 -61.6 -57.3 25.7 26.7 29.4 59 65 A V H X S+ 0 0 100 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.941 120.2 46.4 -54.7 -45.7 25.3 23.0 28.6 60 66 A Y H X S+ 0 0 58 -4,-1.9 4,-1.0 -5,-0.2 -2,-0.2 0.927 115.1 43.4 -66.3 -49.4 22.1 23.0 30.7 61 67 A L H X S+ 0 0 30 -4,-3.3 4,-2.0 2,-0.2 -1,-0.2 0.893 113.0 53.3 -65.2 -42.3 20.5 26.1 29.2 62 68 A A H X S+ 0 0 42 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.946 106.6 51.5 -55.2 -52.7 21.5 25.0 25.6 63 69 A D H X S+ 0 0 65 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.836 111.0 50.6 -52.3 -31.6 19.8 21.6 26.1 64 70 A M H X S+ 0 0 0 -4,-1.0 4,-2.6 1,-0.2 -1,-0.2 0.877 108.7 50.0 -80.8 -34.1 16.7 23.6 27.2 65 71 A D H X S+ 0 0 68 -4,-2.0 4,-0.7 2,-0.2 -2,-0.2 0.882 110.0 51.0 -64.3 -39.8 16.8 25.8 24.2 66 72 A Q H >< S+ 0 0 134 -4,-2.3 3,-0.5 2,-0.2 -2,-0.2 0.974 116.4 41.1 -62.9 -49.3 17.1 22.8 21.8 67 73 A R H >< S+ 0 0 42 -4,-1.8 3,-1.5 1,-0.3 -2,-0.2 0.909 113.8 48.5 -69.4 -46.9 14.1 21.1 23.4 68 74 A F H 3< S+ 0 0 19 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.557 116.9 47.3 -74.3 -5.6 11.9 24.1 23.9 69 75 A S T << S+ 0 0 71 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.365 78.5 135.6-109.2 11.3 12.6 24.9 20.3 70 76 A A X - 0 0 29 -3,-1.5 3,-1.1 -4,-0.2 2,-0.1 -0.368 52.4-131.8 -67.7 118.6 12.1 21.5 18.8 71 77 A P T 3 S+ 0 0 120 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.423 89.1 34.0 -64.2 145.1 10.0 21.7 15.6 72 78 A G T 3 S+ 0 0 82 1,-0.3 2,-0.4 -2,-0.1 -2,-0.1 0.471 99.4 99.4 88.3 4.3 7.1 19.3 15.3 73 79 A L < - 0 0 57 -3,-1.1 -1,-0.3 -4,-0.0 2,-0.1 -0.974 64.7-138.2-122.8 135.5 6.4 19.5 19.0 74 80 A N > - 0 0 50 -2,-0.4 4,-2.2 -3,-0.1 5,-0.2 -0.311 36.6 -96.7 -83.5 176.8 3.8 21.5 20.7 75 81 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.838 124.6 53.2 -68.6 -32.1 4.4 23.4 23.9 76 82 A R H > S+ 0 0 110 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.954 112.0 45.0 -60.6 -53.6 2.9 20.6 26.0 77 83 A E H > S+ 0 0 93 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.845 113.9 48.9 -59.2 -39.5 5.2 18.0 24.4 78 84 A R H X S+ 0 0 39 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.913 115.8 44.4 -69.5 -40.9 8.3 20.2 24.7 79 85 A L H >X S+ 0 0 1 -4,-2.0 4,-1.6 -5,-0.2 3,-0.8 0.935 112.3 50.0 -71.3 -52.1 7.6 20.9 28.3 80 86 A M H 3X S+ 0 0 24 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.819 106.2 55.7 -51.5 -38.4 6.7 17.3 29.3 81 87 A S H 3X S+ 0 0 44 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.762 104.7 54.9 -75.3 -20.3 9.9 16.0 27.8 82 88 A Y H X S+ 0 0 23 -4,-1.3 4,-0.6 -3,-0.3 3,-0.5 0.901 111.5 47.2 -73.7 -41.1 14.6 15.4 34.9 87 93 A L H 3< S+ 0 0 36 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.809 117.5 44.0 -68.2 -29.7 13.0 12.3 36.1 88 94 A D H 3< S+ 0 0 117 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.403 108.8 54.5-100.2 -2.0 15.4 10.2 33.9 89 95 A N H << S+ 0 0 79 -4,-0.5 2,-0.4 -3,-0.5 -1,-0.2 0.490 93.8 88.3-102.4 -9.2 18.6 12.0 34.6 90 96 A A < - 0 0 31 -4,-0.6 7,-0.1 -5,-0.1 73,-0.0 -0.722 56.7-167.6 -89.5 130.7 18.1 11.6 38.3 91 97 A a > - 0 0 47 -2,-0.4 3,-1.9 5,-0.3 7,-0.1 -0.804 3.8-165.9-117.1 98.9 19.4 8.5 40.1 92 98 A P T 3 S+ 0 0 14 0, 0.0 78,-0.3 0, 0.0 79,-0.2 0.845 88.0 49.7 -30.3 -56.8 17.9 8.4 43.6 93 99 A P T 3 S+ 0 0 87 0, 0.0 2,-0.3 0, 0.0 74,-0.0 0.555 89.7 93.9 -79.5 -5.7 20.5 5.7 44.7 94 100 A a S < S- 0 0 54 -3,-1.9 -3,-0.1 2,-0.1 76,-0.1 -0.627 72.6-136.2 -78.8 141.3 23.7 7.5 43.5 95 101 A D S S+ 0 0 86 -2,-0.3 2,-0.5 202,-0.1 202,-0.2 0.837 81.0 94.6 -59.7 -36.9 25.7 9.6 45.9 96 102 A E - 0 0 82 1,-0.1 2,-1.1 201,-0.1 -5,-0.3 -0.487 61.5-159.5 -62.0 110.7 26.1 12.3 43.2 97 103 A Q - 0 0 15 -82,-3.1 6,-0.2 -2,-0.5 -1,-0.1 -0.751 11.1-176.0 -84.3 89.8 23.5 15.1 43.3 98 104 A R + 0 0 105 -2,-1.1 2,-0.9 -9,-0.1 -1,-0.1 0.507 60.3 88.6 -66.7 -7.9 24.0 16.2 39.7 99 105 A C > - 0 0 21 1,-0.2 4,-2.3 -84,-0.1 3,-0.1 -0.829 59.7-172.4 -94.3 104.4 21.5 19.1 40.2 100 106 A L H >>S+ 0 0 0 -2,-0.9 4,-4.5 1,-0.2 5,-0.6 0.752 78.0 62.1 -75.5 -27.4 23.7 22.0 41.4 101 107 A V H >5S+ 0 0 3 2,-0.2 4,-2.6 3,-0.2 5,-0.3 0.953 112.5 42.9 -58.8 -43.9 21.0 24.5 42.3 102 108 A V H >5S+ 0 0 0 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.988 120.7 40.3 -65.1 -52.6 19.9 21.8 44.7 103 109 A K H <5S+ 0 0 7 -4,-2.3 -2,-0.2 -6,-0.2 -1,-0.2 0.888 127.4 31.2 -58.0 -44.5 23.5 21.1 45.8 104 110 A L H ><5S+ 0 0 0 -4,-4.5 3,-1.3 1,-0.2 -3,-0.2 0.804 109.9 62.5 -96.8 -28.5 24.8 24.6 45.9 105 111 A S H >< - 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0 0 2 -4,-1.6 -1,-0.3 -5,-0.5 -2,-0.2 -0.595 30.8 -88.4 84.8-159.1 26.3 22.9 57.5 207 25 B F S S+ 0 0 8 -2,-0.2 3,-0.4 -4,-0.1 -1,-0.1 0.760 110.3 45.5-119.1 -51.6 27.8 20.2 59.6 208 26 B S S S+ 0 0 31 1,-0.2 -2,-0.1 87,-0.1 91,-0.0 0.780 107.4 59.5 -73.7 -26.4 30.6 18.1 57.9 209 27 B G S S+ 0 0 43 -4,-0.3 2,-0.6 1,-0.1 -1,-0.2 0.869 93.3 77.0 -66.4 -35.7 32.4 21.1 56.5 210 28 B V S S- 0 0 9 -3,-0.4 -1,-0.1 -5,-0.1 5,-0.1 -0.703 84.3-120.5 -96.0 117.9 33.0 22.6 59.9 211 29 B G > - 0 0 38 -2,-0.6 4,-1.2 1,-0.1 -1,-0.1 0.051 15.4-119.9 -52.6 149.0 35.7 21.2 62.1 212 30 B L H > S+ 0 0 71 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.894 116.7 50.1 -50.6 -44.8 35.3 19.7 65.6 213 31 B N H >> S+ 0 0 104 1,-0.2 3,-2.2 2,-0.2 4,-1.1 0.963 100.6 60.5 -60.4 -56.3 37.6 22.5 66.8 214 32 B E H 3> S+ 0 0 58 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.731 94.3 64.1 -47.0 -33.5 35.9 25.5 65.2 215 33 B I H 3< S+ 0 0 8 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.854 105.4 46.5 -59.5 -34.1 32.6 24.8 67.1 216 34 B L H XX>S+ 0 0 12 -3,-2.2 4,-1.2 -4,-0.6 3,-0.9 0.759 106.5 58.1 -78.0 -32.9 34.5 25.6 70.3 217 35 B Q H 3<5S+ 0 0 151 -4,-1.1 3,-0.3 1,-0.2 -2,-0.2 0.942 107.9 46.2 -56.8 -50.9 36.2 28.7 68.9 218 36 B S T 3<5S+ 0 0 65 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.1 0.030 114.8 47.4 -86.8 25.9 32.8 30.3 68.2 219 37 B A T <45S- 0 0 17 -3,-0.9 -1,-0.2 2,-0.1 -2,-0.2 0.574 95.6-124.6-136.6 -26.0 31.2 29.5 71.6 220 38 B G T <5 + 0 0 70 -4,-1.2 -3,-0.1 -3,-0.3 -4,-0.1 0.603 69.9 126.0 84.0 15.5 33.7 30.5 74.3 221 39 B V < - 0 0 12 -5,-0.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.931 57.8-131.6-112.8 107.8 33.7 27.0 75.7 222 40 B P >> - 0 0 97 0, 0.0 3,-0.9 0, 0.0 4,-0.9 -0.149 29.4-103.8 -51.5 155.1 37.1 25.1 76.2 223 41 B K H 3> S+ 0 0 137 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.725 115.7 64.2 -60.6 -31.1 37.4 21.5 74.9 224 42 B G H 3> S+ 0 0 57 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.900 101.3 49.3 -58.8 -46.4 37.2 20.0 78.4 225 43 B S H <> S+ 0 0 51 -3,-0.9 4,-1.1 2,-0.2 -1,-0.2 0.770 112.0 52.6 -60.5 -29.5 33.6 21.2 78.9 226 44 B F H X S+ 0 0 7 -4,-0.9 4,-1.4 2,-0.2 3,-0.4 0.960 109.2 43.8 -73.9 -54.1 32.8 19.8 75.5 227 45 B Y H < S+ 0 0 161 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.711 107.5 63.8 -69.0 -22.5 34.1 16.2 76.0 228 46 B H H < S+ 0 0 155 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.976 115.2 30.2 -50.2 -55.4 32.4 16.3 79.4 229 47 B Y H < S+ 0 0 97 -4,-1.1 2,-0.3 -3,-0.4 -2,-0.2 0.512 124.6 38.7 -92.9 -13.2 29.2 16.6 77.7 230 48 B F < - 0 0 30 -4,-1.4 -1,-0.1 1,-0.1 3,-0.1 -0.997 54.1-152.0-147.7 139.1 29.8 14.7 74.4 231 49 B K S S- 0 0 166 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.684 80.7 -14.9 -84.0 -21.8 31.6 11.5 73.3 232 50 B S > - 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0 0 25 -4,-0.6 3,-0.8 -3,-0.5 2,-0.1 -0.204 55.0-127.1 -59.8 123.9 -5.8 21.9 68.4 259 77 B P T 3 S+ 0 0 118 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.429 88.0 29.1 -65.5 146.1 -9.4 21.9 69.6 260 78 B G T 3 S+ 0 0 80 1,-0.3 2,-0.4 -2,-0.1 -2,-0.1 0.646 98.6 103.4 78.4 16.8 -11.9 24.2 67.9 261 79 B L < - 0 0 64 -3,-0.8 -1,-0.3 -4,-0.1 2,-0.1 -0.995 62.5-139.0-127.0 137.8 -10.1 24.1 64.6 262 80 B N > - 0 0 59 -2,-0.4 4,-2.0 -3,-0.1 5,-0.2 -0.283 38.7 -91.8 -82.2 176.5 -11.1 22.2 61.5 263 81 B A H > S+ 0 0 0 61,-0.4 4,-2.5 1,-0.2 5,-0.2 0.907 123.9 52.0 -59.0 -46.0 -8.6 20.3 59.2 264 82 B R H > S+ 0 0 101 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.960 109.9 48.7 -54.3 -57.5 -8.1 23.3 56.9 265 83 B E H > S+ 0 0 96 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.843 113.2 46.4 -54.5 -42.5 -7.3 25.7 59.7 266 84 B R H X S+ 0 0 40 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.930 117.4 43.9 -63.8 -47.6 -4.8 23.4 61.4 267 85 B L H >X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 3,-1.1 0.947 113.1 50.9 -61.4 -52.5 -3.1 22.6 58.1 268 86 B M H 3X S+ 0 0 21 -4,-3.6 4,-2.3 1,-0.3 -1,-0.2 0.761 105.7 55.4 -56.6 -32.2 -3.1 26.2 57.0 269 87 B S H 3X S+ 0 0 43 -4,-1.5 4,-1.2 -5,-0.3 -1,-0.3 0.685 103.0 57.0 -85.1 -14.5 -1.6 27.4 60.1 270 88 B Y H - 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0 0 43 -5,-1.0 4,-0.3 -6,-0.3 -1,-0.3 -0.919 67.4-143.5-128.4 146.8 13.5 37.1 48.5 360 178 B P S >> S+ 0 0 64 0, 0.0 4,-2.1 0, 0.0 3,-0.7 0.724 81.3 97.8 -77.5 -23.3 10.2 36.1 50.0 361 179 B G H 3> S+ 0 0 24 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.769 80.4 48.8 -25.2 -64.6 8.8 35.6 46.4 362 180 B P H 3> S+ 0 0 14 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.895 112.5 48.0 -57.3 -43.4 9.3 31.8 46.3 363 181 B L H <> S+ 0 0 3 -3,-0.7 4,-2.2 -4,-0.3 -2,-0.2 0.880 110.3 52.5 -61.0 -37.9 7.6 31.3 49.7 364 182 B E H X S+ 0 0 126 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.869 108.2 52.2 -63.5 -36.8 4.7 33.5 48.5 365 183 B T H X S+ 0 0 24 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.902 108.6 50.0 -65.4 -38.5 4.4 31.3 45.4 366 184 B A H X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.902 110.3 49.4 -69.9 -43.1 4.2 28.2 47.5 367 185 B M H X S+ 0 0 9 -4,-2.2 4,-2.5 2,-0.2 3,-0.3 0.943 111.0 49.1 -60.6 -51.3 1.5 29.6 49.8 368 186 B Q H X S+ 0 0 94 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.901 112.0 49.1 -54.4 -43.6 -0.6 30.7 46.8 369 187 B T H X S+ 0 0 10 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.829 110.8 50.9 -64.4 -32.8 -0.3 27.3 45.2 370 188 B T H X S+ 0 0 0 -4,-1.6 4,-2.1 -3,-0.3 5,-0.3 0.887 109.2 49.7 -75.8 -42.7 -1.2 25.6 48.5 371 189 B R H X S+ 0 0 108 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.937 114.0 46.2 -58.5 -49.2 -4.4 27.8 48.9 372 190 B S H < S+ 0 0 69 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.902 114.4 48.1 -60.5 -43.2 -5.4 26.9 45.3 373 191 B L H < S+ 0 0 40 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.863 129.5 18.3 -62.7 -35.1 -4.6 23.2 46.0 374 192 B L H < 0 0 0 -4,-2.1 -42,-2.0 -43,-0.1 -3,-0.2 0.853 360.0 360.0-113.6 -50.6 -6.6 23.1 49.3 375 193 B E < 0 0 120 -4,-1.7 -3,-0.1 -5,-0.3 -4,-0.1 0.882 360.0 360.0 -68.0 360.0 -9.1 25.9 49.9