==== 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 OXIDOREDUCTASE 06-MAY-08 3D1L . COMPND 2 MOLECULE: PUTATIVE NADP OXIDOREDUCTASE BF3122; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS; . AUTHOR C.CHANG,R.HENDRICKS,J.ABDULLAH,A.JOACHIMIAK,MIDWEST CENTER F . 516 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22866.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 391 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 2.7 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 . 1 0.2 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 . 31 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 200 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.9 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 2 0 0 0 0 0 4 0 5 3 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 0 6 5 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 PARALLEL BRIDGES PER LADDER . 1 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 4 A S > 0 0 129 0, 0.0 3,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -60.8 -22.4 4.7 62.3 2 5 A I G > + 0 0 41 1,-0.2 3,-1.4 2,-0.1 145,-0.0 0.883 360.0 59.0 -68.4 -36.0 -21.8 4.9 58.5 3 6 A E G 3 S+ 0 0 61 1,-0.3 26,-0.6 25,-0.1 -1,-0.2 0.513 92.1 73.5 -69.4 -3.7 -19.1 2.3 58.9 4 7 A D G < + 0 0 102 -3,-0.8 -1,-0.3 24,-0.1 -2,-0.1 0.010 66.5 117.4 -94.6 23.0 -21.9 0.2 60.3 5 8 A T < - 0 0 7 -3,-1.4 24,-0.4 58,-0.0 2,-0.3 -0.849 66.8-136.0 -86.8 110.0 -23.3 -0.2 56.8 6 9 A P - 0 0 34 0, 0.0 58,-1.9 0, 0.0 59,-1.5 -0.567 28.1-159.4 -66.2 133.1 -23.2 -3.9 56.1 7 10 A I E -ab 30 65A 0 22,-2.0 24,-2.5 -2,-0.3 25,-0.8 -0.926 17.3-165.6-122.5 139.9 -21.9 -4.3 52.6 8 11 A V E -ab 32 66A 0 57,-2.7 59,-2.7 -2,-0.4 2,-0.5 -0.965 12.4-148.1-118.1 141.7 -22.0 -7.1 49.9 9 12 A L E -ab 33 67A 1 23,-1.9 25,-2.9 -2,-0.4 2,-0.7 -0.934 4.4-163.0-110.7 129.5 -19.8 -7.2 46.8 10 13 A I E S+ab 34 68A 1 57,-2.8 59,-2.5 -2,-0.5 60,-0.5 -0.921 74.0 26.3-111.6 100.3 -21.2 -8.7 43.6 11 14 A G - 0 0 2 23,-2.6 23,-0.2 -2,-0.7 24,-0.2 0.018 62.4-148.1 112.5 134.7 -18.0 -9.3 41.6 12 15 A A + 0 0 12 21,-0.1 32,-0.1 -2,-0.1 23,-0.1 -0.047 50.7 125.6-127.1 30.4 -14.4 -9.8 42.8 13 16 A G S > S- 0 0 44 56,-0.1 4,-2.2 4,-0.0 5,-0.1 0.131 78.2 -72.3 -73.7-162.7 -12.3 -8.2 40.0 14 17 A N H > S+ 0 0 84 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.916 130.1 42.5 -67.1 -51.1 -9.6 -5.5 40.4 15 18 A L H > S+ 0 0 34 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.934 115.0 52.3 -59.3 -49.4 -11.8 -2.4 41.1 16 19 A A H > S+ 0 0 2 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.883 110.5 49.4 -51.1 -45.7 -14.0 -4.5 43.5 17 20 A T H X S+ 0 0 18 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.974 113.1 43.8 -59.8 -59.6 -10.8 -5.7 45.3 18 21 A N H X S+ 0 0 8 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.904 117.6 47.2 -50.8 -47.4 -9.4 -2.1 45.7 19 22 A L H X S+ 0 0 0 -4,-3.1 4,-2.7 2,-0.2 -1,-0.2 0.941 112.9 47.1 -62.8 -53.1 -12.8 -0.8 46.7 20 23 A A H X S+ 0 0 0 -4,-3.0 4,-3.1 -5,-0.2 -2,-0.2 0.914 113.5 48.5 -54.3 -50.0 -13.5 -3.6 49.2 21 24 A K H X S+ 0 0 50 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.925 113.1 46.9 -58.9 -48.5 -10.0 -3.4 50.8 22 25 A A H X S+ 0 0 13 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.893 113.8 48.4 -60.8 -43.8 -10.2 0.4 51.2 23 26 A L H X>S+ 0 0 0 -4,-2.7 5,-2.4 -5,-0.2 4,-0.7 0.953 112.7 48.7 -59.4 -50.5 -13.8 0.1 52.7 24 27 A Y H ><5S+ 0 0 81 -4,-3.1 3,-0.6 1,-0.2 -2,-0.2 0.850 110.8 50.7 -54.5 -41.6 -12.5 -2.6 55.1 25 28 A R H 3<5S+ 0 0 165 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.802 105.9 56.1 -68.9 -30.4 -9.6 -0.4 56.1 26 29 A K H 3<5S- 0 0 122 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.595 130.5 -92.5 -79.6 -11.9 -11.9 2.5 56.8 27 30 A G T <<5S+ 0 0 46 -4,-0.7 -3,-0.2 -3,-0.6 2,-0.2 0.440 76.5 143.4 119.0 4.6 -13.9 0.3 59.2 28 31 A F < - 0 0 4 -5,-2.4 2,-0.6 -6,-0.2 -1,-0.3 -0.486 47.5-129.1 -78.3 143.2 -16.7 -1.1 57.0 29 32 A R - 0 0 101 -26,-0.6 -22,-2.0 -24,-0.4 2,-0.7 -0.823 15.4-163.0 -88.4 118.9 -18.0 -4.6 57.4 30 33 A I E -a 7 0A 5 -2,-0.6 -22,-0.2 18,-0.5 21,-0.1 -0.938 8.0-174.7 -98.9 112.6 -18.0 -6.5 54.2 31 34 A V E - 0 0 39 -24,-2.5 20,-2.1 -2,-0.7 2,-0.3 0.852 59.6 -1.9 -79.9 -32.0 -20.3 -9.4 55.0 32 35 A Q E -ac 8 51A 20 -25,-0.8 -23,-1.9 18,-0.3 2,-0.4 -0.990 53.5-147.6-162.1 144.3 -20.0 -11.4 51.8 33 36 A V E -ac 9 52A 0 18,-2.4 20,-2.4 -2,-0.3 2,-0.4 -0.975 13.5-162.3-117.7 131.3 -18.3 -11.5 48.4 34 37 A Y E +ac 10 53A 12 -25,-2.9 -23,-2.6 -2,-0.4 2,-0.3 -0.914 17.2 161.2-105.3 145.5 -19.9 -13.0 45.3 35 38 A S - 0 0 12 18,-1.5 6,-0.1 -2,-0.4 7,-0.0 -0.976 47.3-118.5-153.5 156.4 -17.9 -14.0 42.1 36 39 A R S S+ 0 0 130 -2,-0.3 2,-0.4 5,-0.0 -1,-0.1 0.888 100.7 50.9 -60.2 -41.0 -18.5 -16.2 39.1 37 40 A T S > S- 0 0 75 1,-0.1 4,-1.9 -3,-0.1 5,-0.2 -0.819 79.8-132.1-106.5 140.7 -15.4 -18.4 40.0 38 41 A E H > S+ 0 0 101 -2,-0.4 4,-2.4 1,-0.2 5,-0.3 0.878 104.7 53.6 -49.2 -51.7 -14.6 -20.0 43.4 39 42 A E H > S+ 0 0 122 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.946 109.4 47.5 -55.0 -54.3 -11.0 -18.8 43.5 40 43 A S H > S+ 0 0 37 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.894 113.2 47.1 -55.6 -48.1 -11.9 -15.2 43.0 41 44 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.925 116.0 43.9 -63.8 -46.5 -14.7 -15.0 45.6 42 45 A R H X S+ 0 0 78 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.917 111.3 55.1 -59.9 -48.9 -12.6 -16.8 48.3 43 46 A E H X S+ 0 0 96 -4,-2.7 4,-0.8 -5,-0.3 3,-0.2 0.936 114.2 37.4 -55.5 -55.1 -9.5 -14.8 47.6 44 47 A L H >X S+ 0 0 2 -4,-2.1 3,-1.4 1,-0.2 4,-0.6 0.940 114.5 56.2 -64.7 -45.0 -11.2 -11.3 48.0 45 48 A A H ><>S+ 0 0 1 -4,-2.3 5,-3.2 -5,-0.3 3,-0.6 0.790 104.3 53.7 -57.0 -32.9 -13.3 -12.6 50.9 46 49 A Q H 3<5S+ 0 0 133 -4,-2.3 -1,-0.3 -3,-0.2 3,-0.2 0.718 102.9 59.1 -72.2 -23.3 -10.2 -13.7 52.8 47 50 A K H <<5S+ 0 0 92 -3,-1.4 -1,-0.2 -4,-0.8 -2,-0.2 0.603 116.7 29.7 -80.2 -16.4 -8.7 -10.2 52.4 48 51 A V T <<5S- 0 0 2 -3,-0.6 -18,-0.5 -4,-0.6 -1,-0.2 0.173 112.2-104.0-133.1 14.2 -11.6 -8.4 54.2 49 52 A E T 5S+ 0 0 161 -4,-0.3 2,-0.3 -3,-0.2 -3,-0.2 0.882 74.8 142.5 60.7 44.4 -12.8 -11.0 56.7 50 53 A A < - 0 0 15 -5,-3.2 -18,-0.3 -6,-0.1 -1,-0.2 -0.788 54.0-113.6-114.2 153.9 -15.9 -11.8 54.6 51 54 A E E -c 32 0A 137 -20,-2.1 -18,-2.4 -2,-0.3 2,-0.3 -0.350 35.8-145.4 -69.9 163.2 -18.0 -14.9 53.6 52 55 A Y E +c 33 0A 96 -20,-0.2 2,-0.3 -2,-0.1 -18,-0.2 -0.983 18.0 179.7-138.8 148.1 -17.9 -15.9 50.0 53 56 A T E -c 34 0A 19 -20,-2.4 -18,-1.5 -2,-0.3 3,-0.1 -0.981 25.5-167.2-144.9 160.3 -20.3 -17.4 47.4 54 57 A T S S+ 0 0 62 -2,-0.3 2,-0.5 -20,-0.2 -20,-0.1 0.369 78.6 75.9-120.3 -5.8 -20.3 -18.5 43.8 55 58 A D > - 0 0 75 1,-0.1 3,-1.7 3,-0.0 4,-0.1 -0.945 67.9-150.1-120.2 120.9 -24.2 -18.9 43.8 56 59 A L G > S+ 0 0 24 -2,-0.5 3,-1.2 1,-0.3 -1,-0.1 0.737 95.9 66.0 -62.6 -25.0 -26.5 -15.8 43.6 57 60 A A G 3 S+ 0 0 74 1,-0.3 -1,-0.3 28,-0.0 25,-0.0 0.686 100.9 51.0 -70.9 -17.9 -29.2 -17.7 45.5 58 61 A E G < S+ 0 0 115 -3,-1.7 -1,-0.3 2,-0.1 2,-0.2 0.287 79.2 124.1-101.1 5.4 -26.9 -17.8 48.6 59 62 A V S < S- 0 0 8 -3,-1.2 -49,-0.0 -4,-0.1 -51,-0.0 -0.521 75.4-104.3 -67.8 130.8 -26.2 -14.0 48.5 60 63 A N - 0 0 70 -2,-0.2 3,-0.4 1,-0.1 -1,-0.1 -0.416 30.4-160.2 -56.3 123.7 -27.1 -12.4 51.9 61 64 A P S S+ 0 0 38 0, 0.0 26,-1.9 0, 0.0 29,-0.2 0.504 75.4 65.3 -86.1 -6.3 -30.3 -10.6 51.4 62 65 A Y + 0 0 132 24,-0.1 -2,-0.0 27,-0.1 24,-0.0 0.278 67.5 117.3-108.3 11.3 -30.1 -8.2 54.4 63 66 A A - 0 0 1 -3,-0.4 -56,-0.2 1,-0.1 24,-0.1 -0.285 61.9-133.5 -73.0 163.0 -27.1 -5.9 53.7 64 67 A K S S+ 0 0 44 -58,-1.9 27,-2.0 1,-0.2 2,-0.4 0.808 86.7 32.5 -85.6 -30.7 -27.5 -2.1 53.3 65 68 A L E -bd 7 91A 0 -59,-1.5 -57,-2.7 25,-0.2 2,-0.5 -0.988 58.5-166.3-138.2 131.5 -25.4 -1.8 50.1 66 69 A Y E -bd 8 92A 0 25,-3.3 27,-2.5 -2,-0.4 2,-0.8 -0.965 9.8-159.9-117.6 120.5 -24.7 -4.0 47.2 67 70 A I E -bd 9 93A 1 -59,-2.7 -57,-2.8 -2,-0.5 2,-0.5 -0.876 7.3-167.7-109.5 105.7 -21.8 -3.1 45.0 68 71 A V E +bd 10 94A 0 25,-3.1 27,-2.0 -2,-0.8 28,-0.3 -0.825 19.8 162.4 -95.6 123.2 -22.0 -4.7 41.5 69 72 A S + 0 0 32 -59,-2.5 -58,-0.1 -2,-0.5 -53,-0.1 0.117 27.5 138.5-124.4 19.7 -18.9 -4.5 39.4 70 73 A L - 0 0 28 -60,-0.5 26,-0.2 1,-0.1 25,-0.1 -0.286 59.2 -98.7 -66.8 149.3 -19.7 -7.2 36.8 71 74 A K > - 0 0 181 4,-0.1 4,-3.0 1,-0.1 5,-0.1 -0.195 44.2 -92.4 -63.2 162.1 -18.9 -6.7 33.1 72 75 A D H > S+ 0 0 107 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.865 121.8 35.7 -44.2 -63.5 -21.7 -5.6 30.7 73 76 A S H > S+ 0 0 95 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.937 118.1 51.0 -61.1 -50.0 -22.9 -9.0 29.4 74 77 A A H > S+ 0 0 21 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.889 112.6 48.6 -57.4 -38.5 -22.4 -10.8 32.8 75 78 A F H X S+ 0 0 4 -4,-3.0 4,-1.0 2,-0.2 -2,-0.2 0.960 110.3 50.8 -73.0 -50.9 -24.4 -8.0 34.4 76 79 A A H >< S+ 0 0 74 -4,-2.2 3,-0.8 2,-0.2 4,-0.4 0.903 112.4 46.2 8.5 -90.6 -27.1 -8.2 31.8 77 80 A E H 3< S+ 0 0 132 -4,-3.1 4,-0.2 1,-0.2 3,-0.2 0.825 120.5 37.1 -55.5 -36.0 -27.4 -12.0 32.3 78 81 A L H 3X S+ 0 0 27 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.395 80.2 103.8-107.5 -1.0 -27.5 -11.9 36.1 79 82 A L H S+ 0 0 143 -4,-0.4 4,-2.9 1,-0.2 -1,-0.2 0.893 112.4 49.2 -64.2 -38.3 -32.6 -10.6 38.0 81 84 A G H 4 S+ 0 0 21 -4,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.806 112.5 50.2 -68.0 -29.4 -30.6 -13.2 40.1 82 85 A I H < S+ 0 0 1 -4,-2.3 -2,-0.2 -7,-0.2 -1,-0.2 0.938 114.3 43.6 -67.8 -47.4 -28.9 -10.2 41.8 83 86 A V H >< S+ 0 0 22 -4,-2.8 3,-1.9 -5,-0.2 -2,-0.2 0.904 91.4 103.5 -66.7 -42.6 -32.2 -8.5 42.5 84 87 A E T 3< S+ 0 0 141 -4,-2.9 23,-0.0 1,-0.2 -3,-0.0 -0.073 89.8 6.7 -48.4 129.0 -34.0 -11.7 43.7 85 88 A G T 3 S+ 0 0 57 1,-0.3 -1,-0.2 -24,-0.0 2,-0.2 0.251 88.0 139.9 89.1 -11.9 -34.4 -12.0 47.5 86 89 A K < - 0 0 27 -3,-1.9 -1,-0.3 -4,-0.1 -24,-0.1 -0.434 52.6-121.2 -72.4 134.5 -33.2 -8.5 48.4 87 90 A R > - 0 0 142 -26,-1.9 3,-2.2 -2,-0.2 -1,-0.1 -0.405 32.2-100.2 -70.9 154.3 -35.0 -6.7 51.1 88 91 A E T 3 S+ 0 0 142 1,-0.3 22,-0.3 -2,-0.1 -1,-0.1 0.718 119.3 54.2 -46.1 -36.1 -36.6 -3.3 50.3 89 92 A E T 3 S+ 0 0 103 20,-0.1 -1,-0.3 2,-0.1 -27,-0.1 0.643 77.2 122.6 -80.3 -16.4 -33.8 -1.2 51.9 90 93 A A < - 0 0 2 -3,-2.2 2,-0.7 -29,-0.2 20,-0.4 -0.219 56.8-144.8 -48.9 122.2 -31.1 -2.9 49.9 91 94 A L E -d 65 0A 0 -27,-2.0 -25,-3.3 -28,-0.1 2,-0.7 -0.872 12.6-158.3 -97.7 118.9 -29.2 -0.3 47.9 92 95 A X E +de 66 111A 0 18,-2.3 20,-2.1 -2,-0.7 2,-0.3 -0.852 20.3 164.4-104.6 112.6 -28.2 -1.6 44.5 93 96 A V E -de 67 112A 0 -27,-2.5 -25,-3.1 -2,-0.7 2,-0.3 -0.904 22.6-153.8-125.8 150.3 -25.3 0.1 42.8 94 97 A H E -de 68 113A 2 18,-1.2 20,-2.6 -2,-0.3 -25,-0.2 -0.926 11.9-145.7-119.7 155.0 -23.0 -0.6 39.9 95 98 A T + 0 0 9 -27,-2.0 2,-0.6 -2,-0.3 -26,-0.1 0.563 67.4 102.4 -94.7 -13.5 -19.5 0.7 39.4 96 99 A A > - 0 0 33 -28,-0.3 3,-1.2 -26,-0.2 -2,-0.1 -0.651 56.0-158.5 -76.7 119.6 -19.4 1.0 35.6 97 100 A G T 3 S+ 0 0 10 -2,-0.6 -1,-0.1 1,-0.2 66,-0.1 0.732 86.8 62.6 -66.4 -23.6 -19.9 4.6 34.5 98 101 A S T 3 S+ 0 0 98 2,-0.1 -1,-0.2 65,-0.1 -2,-0.0 0.497 86.5 85.6 -83.8 -4.8 -21.1 3.7 31.0 99 102 A I S < S- 0 0 15 -3,-1.2 -5,-0.1 2,-0.0 4,-0.0 -0.868 82.2-122.4-106.5 119.6 -24.2 1.8 32.3 100 103 A P > - 0 0 53 0, 0.0 3,-1.3 0, 0.0 4,-0.1 -0.295 13.2-126.5 -66.2 147.5 -27.3 3.9 32.9 101 104 A X G > S+ 0 0 31 1,-0.3 3,-1.9 2,-0.1 4,-0.4 0.749 100.3 80.7 -57.5 -29.0 -28.8 3.8 36.4 102 105 A N G 3 + 0 0 103 1,-0.3 3,-0.4 2,-0.2 -1,-0.3 0.517 66.2 86.3 -63.2 -2.4 -32.2 2.9 34.8 103 106 A V G < S+ 0 0 42 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.1 0.807 92.5 46.4 -64.1 -28.5 -31.1 -0.8 34.6 104 107 A W S X> S+ 0 0 0 -3,-1.9 3,-2.2 -4,-0.1 4,-1.6 0.621 86.2 120.8 -88.7 -17.4 -32.4 -1.2 38.2 105 108 A E T 34 S+ 0 0 114 -3,-0.4 -3,-0.0 -4,-0.4 0, 0.0 -0.259 80.0 13.8 -53.6 124.9 -35.6 0.6 37.4 106 109 A G T 34 S+ 0 0 80 2,-0.4 -1,-0.3 -2,-0.0 -2,-0.1 0.175 120.6 70.4 88.9 -14.2 -38.7 -1.6 38.1 107 110 A H T <4 S+ 0 0 82 -3,-2.2 -2,-0.2 1,-0.3 -3,-0.1 0.846 106.1 11.7 -98.9 -46.0 -36.6 -4.1 40.0 108 111 A V < - 0 0 16 -4,-1.6 -2,-0.4 1,-0.1 -1,-0.3 -0.954 57.7-139.0-134.0 149.4 -35.6 -2.4 43.3 109 112 A P S S+ 0 0 59 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.765 93.1 52.9 -79.1 -21.3 -36.8 0.8 44.9 110 113 A H S S+ 0 0 58 -20,-0.4 -18,-2.3 -22,-0.3 2,-0.3 -0.933 74.2 129.0-120.7 112.0 -33.3 1.9 46.1 111 114 A Y E +e 92 0A 23 -2,-0.5 25,-3.2 -20,-0.2 26,-0.3 -0.964 16.8 151.3-154.0 167.5 -30.5 2.1 43.5 112 115 A G E -eF 93 135A 0 -20,-2.1 -18,-1.2 -2,-0.3 2,-0.4 -0.979 41.7 -83.4-173.8-173.0 -27.7 4.1 41.9 113 116 A V E -eF 94 134A 0 21,-2.6 21,-1.9 -2,-0.3 2,-0.4 -0.977 26.3-173.5-115.5 130.8 -24.3 4.5 40.2 114 117 A F E + F 0 133A 0 -20,-2.6 19,-0.2 -2,-0.4 -17,-0.1 -0.747 18.4 175.6-125.1 78.0 -21.2 4.4 42.3 115 118 A Y E - F 0 132A 32 17,-2.3 17,-2.9 -2,-0.4 2,-0.7 -0.782 18.7-169.9-101.9 105.5 -18.5 5.3 39.7 116 119 A P E - F 0 131A 3 0, 0.0 2,-0.8 0, 0.0 15,-0.2 -0.872 20.2-145.0 -89.1 118.9 -14.9 5.8 40.8 117 120 A X - 0 0 16 13,-2.3 2,-0.4 -2,-0.7 -2,-0.0 -0.735 23.3-165.6 -89.0 110.6 -13.1 7.2 37.8 118 121 A Q - 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0 0 9 -5,-2.4 -2,-0.2 -8,-0.2 -1,-0.2 -0.982 59.9-113.9-130.2 141.2 -18.4 19.5 37.2 455 199 B P > - 0 0 40 0, 0.0 3,-1.2 0, 0.0 4,-0.1 -0.469 15.5-128.8 -77.5 149.5 -15.1 21.0 38.4 456 200 B F G > S+ 0 0 26 1,-0.2 3,-2.4 -2,-0.1 4,-0.3 0.832 97.7 81.4 -60.1 -33.2 -12.1 21.1 36.1 457 201 B D G > S+ 0 0 61 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.632 72.3 74.0 -52.0 -24.9 -10.0 19.5 38.9 458 202 B V G < S+ 0 0 2 -3,-1.2 -1,-0.3 1,-0.2 4,-0.3 0.609 92.6 59.4 -64.8 -12.0 -11.3 15.9 38.1 459 203 B X G X> S+ 0 0 0 -3,-2.4 4,-2.4 1,-0.1 3,-0.7 0.675 79.2 88.3 -89.2 -20.9 -9.0 16.1 35.1 460 204 B L H <> S+ 0 0 14 -3,-1.3 4,-2.8 1,-0.3 5,-0.2 0.848 84.2 51.9 -53.7 -50.1 -5.7 16.7 37.0 461 205 B P H 3> S+ 0 0 38 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.878 115.0 44.4 -48.6 -43.3 -4.8 12.9 37.5 462 206 B L H <> S+ 0 0 20 -3,-0.7 4,-2.4 -4,-0.3 -2,-0.2 0.849 111.2 52.8 -73.0 -37.8 -5.3 12.4 33.7 463 207 B I H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.910 111.7 47.2 -60.0 -45.5 -3.3 15.6 32.9 464 208 B D H X S+ 0 0 66 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.906 112.4 48.5 -62.2 -48.4 -0.5 14.3 35.1 465 209 B E H X S+ 0 0 34 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.901 109.8 52.8 -57.7 -46.3 -0.5 10.8 33.5 466 210 B T H X S+ 0 0 8 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.900 113.7 42.6 -62.6 -41.9 -0.5 12.2 30.0 467 211 B A H >< S+ 0 0 4 -4,-1.8 3,-1.0 1,-0.2 4,-0.3 0.938 113.5 50.2 -68.1 -48.8 2.5 14.4 30.6 468 212 B R H >X S+ 0 0 130 -4,-2.7 3,-1.4 1,-0.2 4,-0.6 0.833 100.6 66.9 -63.1 -30.0 4.5 11.7 32.6 469 213 B K H >X S+ 0 0 50 -4,-2.2 4,-2.8 1,-0.3 3,-0.7 0.805 92.6 58.6 -57.4 -36.1 3.9 9.2 29.8 470 214 B V H << S+ 0 0 7 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.477 91.1 69.0 -84.3 -2.2 6.0 11.1 27.2 471 215 B H H <4 S+ 0 0 81 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.841 116.1 26.5 -70.0 -38.2 9.1 10.9 29.4 472 216 B E H << S+ 0 0 131 -3,-0.7 2,-0.3 -4,-0.6 -2,-0.2 0.897 125.8 42.3 -89.1 -48.8 9.1 7.1 28.7 473 217 B L S < S- 0 0 72 -4,-2.8 -1,-0.1 1,-0.0 5,-0.0 -0.724 84.0-108.5-106.7 147.2 7.4 6.9 25.3 474 218 B E >> - 0 0 145 -2,-0.3 4,-1.9 1,-0.1 3,-1.1 -0.489 40.4-114.9 -58.0 140.3 7.5 8.8 22.1 475 219 B P H 3> S+ 0 0 5 0, 0.0 4,-1.6 0, 0.0 -293,-0.2 0.876 117.3 57.4 -48.9 -41.0 4.2 10.8 21.8 476 220 B K H 34 S+ 0 0 101 1,-0.2 -294,-0.0 2,-0.2 -297,-0.0 0.827 110.4 42.9 -57.9 -36.9 3.3 8.8 18.7 477 221 B T H <4 S+ 0 0 99 -3,-1.1 -1,-0.2 1,-0.2 -7,-0.0 0.785 112.4 54.7 -77.9 -29.5 3.6 5.5 20.8 478 222 B A H < S+ 0 0 5 -4,-1.9 -2,-0.2 -300,-0.1 -1,-0.2 0.695 78.6 119.1 -78.8 -24.5 1.8 7.1 23.8 479 223 B Q < + 0 0 24 -4,-1.6 2,-0.2 -5,-0.2 -304,-0.1 -0.201 36.5 167.1 -50.4 124.5 -1.3 8.1 21.8 480 224 B T + 0 0 73 -306,-0.1 3,-0.2 -305,-0.0 -302,-0.1 -0.711 20.3 76.0-123.7 179.6 -4.5 6.5 23.0 481 225 B G S > S- 0 0 34 -2,-0.2 3,-1.0 1,-0.1 4,-0.4 -0.248 85.5 -59.6 105.8 173.4 -8.2 7.1 22.4 482 226 B P T 3>>S+ 0 0 24 0, 0.0 5,-2.7 0, 0.0 4,-0.6 0.521 114.6 71.5 -76.8 -3.0 -11.0 6.6 19.8 483 227 B A T 345S+ 0 0 2 -3,-0.2 -2,-0.1 3,-0.2 33,-0.0 0.768 82.0 70.5 -82.9 -27.2 -9.4 8.6 17.0 484 228 B I T <45S+ 0 0 75 -3,-1.0 -1,-0.2 1,-0.2 -3,-0.0 0.917 116.3 23.8 -54.1 -49.7 -6.7 6.0 16.3 485 229 B R T 45S- 0 0 212 -4,-0.4 -1,-0.2 -3,-0.0 -2,-0.2 0.600 110.4-119.5 -87.3 -14.8 -9.2 3.6 14.8 486 230 B Y T <5 - 0 0 43 -4,-0.6 2,-1.1 1,-0.2 -3,-0.2 0.935 29.5-156.1 57.3 54.3 -11.7 6.4 14.0 487 231 B D >< - 0 0 75 -5,-2.7 4,-2.7 1,-0.2 5,-0.2 -0.450 8.0-166.9 -54.5 91.5 -14.3 4.8 16.3 488 232 B E H > S+ 0 0 142 -2,-1.1 4,-1.8 1,-0.2 -1,-0.2 0.680 78.0 58.2 -72.0 -21.3 -17.2 6.5 14.5 489 233 B N H > S+ 0 0 110 2,-0.2 4,-3.4 3,-0.2 5,-0.3 0.986 113.8 35.4 -62.8 -65.7 -19.7 5.7 17.2 490 234 B V H > S+ 0 0 38 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.910 120.7 50.1 -61.2 -38.3 -17.9 7.5 20.0 491 235 B I H X S+ 0 0 3 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.898 112.1 47.5 -66.0 -41.8 -16.7 10.2 17.6 492 236 B G H X S+ 0 0 16 -4,-1.8 4,-2.7 -5,-0.2 -2,-0.2 0.960 112.9 48.7 -59.6 -54.2 -20.2 10.7 16.3 493 237 B N H X S+ 0 0 65 -4,-3.4 4,-2.1 1,-0.2 -2,-0.2 0.903 112.6 49.3 -50.7 -45.9 -21.6 10.8 19.9 494 238 B H H X S+ 0 0 19 -4,-2.9 4,-1.2 -5,-0.3 -1,-0.2 0.900 110.7 47.9 -65.7 -40.3 -18.9 13.3 20.8 495 239 B L H < S+ 0 0 32 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.909 109.0 56.2 -65.4 -38.9 -19.5 15.6 17.8 496 240 B R H >< S+ 0 0 169 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.910 104.6 52.8 -56.3 -45.1 -23.2 15.4 18.7 497 241 B X H 3< S+ 0 0 30 -4,-2.1 3,-0.4 1,-0.3 -1,-0.2 0.796 108.5 50.0 -60.7 -30.8 -22.4 16.7 22.2 498 242 B L T >< S+ 0 0 7 -4,-1.2 3,-2.4 -3,-0.4 7,-0.4 0.237 73.3 110.7 -95.9 11.1 -20.6 19.7 20.8 499 243 B A T < S+ 0 0 58 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.836 72.6 62.6 -53.2 -37.6 -23.4 20.7 18.4 500 244 B D T 3 S+ 0 0 130 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.629 108.0 45.6 -59.2 -18.4 -23.9 23.8 20.7 501 245 B D <> - 0 0 50 -3,-2.4 4,-2.9 1,-0.1 3,-0.4 -0.648 64.3-179.7-134.9 79.1 -20.4 24.9 19.8 502 246 B P H > S+ 0 0 87 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.821 85.9 49.9 -43.0 -45.1 -19.6 24.6 16.0 503 247 B A H > S+ 0 0 64 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.909 114.9 42.5 -67.7 -42.0 -16.0 25.9 16.4 504 248 B X H > S+ 0 0 11 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.853 113.5 54.3 -69.8 -33.9 -15.3 23.5 19.3 505 249 B Q H X S+ 0 0 60 -4,-2.9 4,-1.8 -7,-0.4 -2,-0.2 0.908 108.1 48.4 -64.5 -45.0 -17.1 20.8 17.3 506 250 B R H X S+ 0 0 113 -4,-2.7 4,-2.5 -5,-0.2 5,-0.2 0.871 108.9 53.9 -64.8 -38.1 -14.8 21.4 14.2 507 251 B L H X S+ 0 0 5 -4,-1.8 4,-2.9 1,-0.2 5,-0.3 0.935 107.5 50.5 -59.9 -48.3 -11.6 21.3 16.4 508 252 B Y H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.918 112.2 48.2 -54.5 -45.4 -12.6 17.9 17.8 509 253 B E H X S+ 0 0 64 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.923 115.0 42.2 -65.9 -46.7 -13.2 16.6 14.3 510 254 B L H X S+ 0 0 21 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.861 114.2 51.2 -71.5 -37.6 -9.9 17.8 12.7 511 255 B L H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.2 -2,-0.2 0.915 113.9 45.3 -62.5 -42.0 -7.8 16.8 15.8 512 256 B S H X S+ 0 0 1 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.957 113.4 49.3 -65.0 -49.5 -9.4 13.3 15.6 513 257 B R H X S+ 0 0 116 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.894 111.8 51.7 -51.3 -41.6 -8.8 13.3 11.8 514 258 B S H X S+ 0 0 7 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.875 108.3 47.3 -70.5 -44.3 -5.2 14.4 12.6 515 259 B I H >< S+ 0 0 7 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.955 110.5 55.6 -58.0 -49.7 -4.5 11.6 15.1 516 260 B H H 3< S+ 0 0 81 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.849 103.6 52.7 -53.1 -43.1 -6.0 9.1 12.6 517 261 B E H 3< 0 0 129 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.785 360.0 360.0 -63.5 -27.0 -3.6 10.1 9.8 518 262 B R << 0 0 90 -3,-1.1 -3,-0.1 -4,-0.9 -2,-0.1 0.637 360.0 360.0-107.9 360.0 -0.6 9.6 12.0