==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-AUG-07 2Z6I . COMPND 2 MOLECULE: TRANS-2-ENOYL-ACP REDUCTASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR J.SAITO,M.YAMADA,T.WATANABE,Y.TAKEUCHI . 638 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25158.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 479 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 3.1 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 . 43 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 232 36.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 3.1 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 2 0 4 2 1 6 5 2 0 1 3 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 4 8 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 . 2 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 4 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 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 X 0 0 55 0, 0.0 2,-0.3 0, 0.0 635,-0.1 0.000 360.0 360.0 360.0 142.2 -15.5 4.0 24.3 2 2 A K - 0 0 133 633,-0.2 2,-0.3 11,-0.0 10,-0.0 -0.980 360.0-177.2-135.6 148.4 -15.3 2.4 20.9 3 3 A T > - 0 0 4 -2,-0.3 4,-2.2 1,-0.0 5,-0.2 -0.924 45.8-103.6-133.0 166.3 -13.5 3.1 17.6 4 4 A R H > S+ 0 0 115 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.797 123.5 53.4 -59.1 -26.7 -13.5 1.4 14.3 5 5 A I H > S+ 0 0 0 181,-0.4 4,-2.4 2,-0.2 5,-0.3 0.908 105.9 49.0 -75.1 -44.8 -10.2 -0.1 15.2 6 6 A T H >>S+ 0 0 4 180,-0.3 5,-1.2 1,-0.2 4,-1.1 0.897 117.7 44.3 -59.8 -36.6 -11.3 -1.5 18.6 7 7 A E H <5S+ 0 0 90 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.875 114.6 45.8 -78.8 -38.5 -14.3 -3.0 16.7 8 8 A L H <5S+ 0 0 59 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.917 124.2 33.4 -68.6 -42.9 -12.4 -4.4 13.7 9 9 A L H <5S- 0 0 6 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.562 100.6-130.0 -93.1 -9.6 -9.6 -5.9 15.7 10 10 A K T <5 + 0 0 170 -4,-1.1 2,-0.3 -5,-0.3 -3,-0.2 0.939 58.1 138.9 56.2 53.1 -11.6 -6.9 18.8 11 11 A I < - 0 0 12 -5,-1.2 -1,-0.2 -6,-0.2 26,-0.1 -0.892 56.5-133.0-123.8 155.7 -9.2 -5.3 21.3 12 12 A D S S+ 0 0 115 24,-0.7 25,-0.2 -2,-0.3 -1,-0.1 0.885 89.7 45.1 -79.3 -39.3 -10.0 -3.3 24.5 13 13 A Y S S- 0 0 22 23,-2.8 2,-2.0 2,-0.2 -1,-0.1 -0.895 76.2-133.2-109.7 137.8 -7.6 -0.4 23.9 14 14 A P S S+ 0 0 2 0, 0.0 174,-2.1 0, 0.0 2,-0.4 -0.329 73.1 114.2 -79.2 55.2 -7.1 1.5 20.6 15 15 A I E -a 188 0A 4 -2,-2.0 23,-2.7 172,-0.2 2,-0.4 -0.995 48.8-163.2-135.1 125.7 -3.3 1.2 21.1 16 16 A F E -ab 189 38A 0 172,-3.1 174,-2.8 -2,-0.4 2,-0.7 -0.897 18.0-140.5-103.0 139.2 -0.8 -0.7 19.1 17 17 A Q E -a 190 0A 0 21,-2.6 23,-0.4 -2,-0.4 174,-0.2 -0.913 43.3-115.4 -89.9 115.0 2.7 -1.5 20.4 18 18 A G - 0 0 4 172,-2.6 22,-0.2 -2,-0.7 24,-0.1 -0.211 22.4-106.6 -60.7 138.0 4.5 -0.9 17.1 19 19 A G - 0 0 18 22,-0.1 2,-0.4 20,-0.1 22,-0.2 -0.439 45.9-176.3 -58.9 131.4 6.3 -3.8 15.3 20 20 A X > - 0 0 35 20,-0.4 4,-2.6 -2,-0.1 22,-0.5 -0.976 29.4-113.6-139.0 122.9 10.0 -3.3 15.9 21 21 A A T 4 S- 0 0 36 -2,-0.4 2,-2.3 1,-0.2 22,-0.1 -0.294 97.4 -7.9 -52.8 135.4 12.8 -5.4 14.6 22 22 A W T 4 S+ 0 0 148 20,-0.5 -1,-0.2 1,-0.2 3,-0.2 -0.171 132.8 62.9 69.9 -44.8 14.7 -7.2 17.4 23 23 A V T 4 S+ 0 0 6 -2,-2.3 2,-1.9 1,-0.2 178,-0.5 0.898 88.3 68.0 -75.9 -40.9 12.7 -5.4 20.2 24 24 A A < + 0 0 2 -4,-2.6 18,-2.6 4,-0.1 -1,-0.2 -0.491 69.4 148.0 -87.7 73.1 9.2 -6.6 19.4 25 25 A D > - 0 0 27 -2,-1.9 4,-2.3 16,-0.2 5,-0.3 -0.320 65.8 -83.0 -91.3-178.5 9.6 -10.3 20.3 26 26 A G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.816 124.9 55.6 -55.5 -38.3 6.9 -12.7 21.6 27 27 A D H > S+ 0 0 45 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.940 113.2 38.9 -61.9 -51.8 7.4 -11.6 25.3 28 28 A L H > S+ 0 0 0 -5,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.973 120.0 44.7 -64.2 -53.9 6.8 -7.9 24.6 29 29 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 10,-0.3 0.899 113.2 52.9 -57.1 -44.3 4.0 -8.3 22.1 30 30 A G H X S+ 0 0 1 -4,-2.4 4,-2.9 -5,-0.3 -1,-0.2 0.906 107.1 51.3 -55.2 -47.5 2.4 -11.0 24.3 31 31 A A H X S+ 0 0 15 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.892 112.3 46.3 -59.2 -42.1 2.4 -8.6 27.3 32 32 A V H X>S+ 0 0 0 -4,-2.0 5,-2.0 2,-0.2 4,-0.8 0.934 115.0 45.6 -67.4 -48.9 0.7 -5.8 25.3 33 33 A S H ><5S+ 0 0 1 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.908 111.4 52.6 -62.0 -43.9 -2.0 -8.1 23.8 34 34 A K H 3<5S+ 0 0 132 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.897 107.4 53.3 -57.6 -40.3 -2.7 -9.7 27.2 35 35 A A H 3<5S- 0 0 17 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.643 129.0 -93.5 -73.8 -15.9 -3.2 -6.3 28.7 36 36 A G T <<5S+ 0 0 3 -3,-0.9 -23,-2.8 -4,-0.8 -24,-0.7 0.352 92.8 96.9 119.9 -4.4 -5.8 -5.3 26.1 37 37 A G S + 0 0 2 26,-2.1 3,-2.4 -2,-1.0 -1,-0.2 0.826 22.7 157.4 -65.1 -35.3 9.4 -9.7 11.7 44 44 A G T 3 S- 0 0 9 25,-0.4 27,-0.6 1,-0.3 30,-0.2 -0.099 75.4 -35.1 43.8-132.9 12.3 -7.6 10.4 45 45 A N T 3 S+ 0 0 111 -3,-0.1 -1,-0.3 29,-0.1 -2,-0.1 0.056 99.4 135.8-103.6 24.7 14.7 -9.7 8.4 46 46 A A < - 0 0 24 -3,-2.4 2,-0.1 -4,-0.1 30,-0.1 -0.424 54.6-120.8 -71.1 142.0 14.2 -12.8 10.5 47 47 A P >> - 0 0 32 0, 0.0 4,-1.7 0, 0.0 3,-1.1 -0.393 36.9 -91.3 -75.5 168.3 13.8 -16.1 8.7 48 48 A K H 3> S+ 0 0 49 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.805 122.1 55.6 -48.0 -47.0 10.7 -18.2 9.3 49 49 A E H 3> S+ 0 0 134 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.838 109.2 48.1 -63.1 -32.6 11.9 -20.3 12.2 50 50 A V H <> S+ 0 0 69 -3,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.935 113.7 44.6 -71.8 -48.5 12.8 -17.2 14.2 51 51 A V H X S+ 0 0 1 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.908 111.1 55.5 -63.0 -40.1 9.4 -15.4 13.6 52 52 A K H X S+ 0 0 74 -4,-2.9 4,-3.1 1,-0.2 5,-0.2 0.907 102.3 57.1 -59.3 -41.5 7.6 -18.7 14.4 53 53 A A H X S+ 0 0 55 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.909 108.1 46.9 -52.9 -45.5 9.4 -18.9 17.7 54 54 A N H X S+ 0 0 33 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.865 112.4 49.3 -65.7 -37.9 7.9 -15.5 18.6 55 55 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.919 110.3 50.4 -68.3 -43.8 4.5 -16.5 17.5 56 56 A D H X S+ 0 0 78 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.935 111.6 50.5 -55.1 -46.5 4.7 -19.7 19.5 57 57 A K H X S+ 0 0 85 -4,-2.2 4,-0.7 -5,-0.2 -2,-0.2 0.908 110.7 46.4 -61.5 -46.1 5.7 -17.6 22.5 58 58 A I H >X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 3,-1.3 0.929 110.0 53.2 -66.5 -42.6 2.9 -15.1 22.2 59 59 A K H 3< S+ 0 0 83 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.819 107.3 53.6 -60.3 -31.5 0.2 -17.9 21.8 60 60 A S H 3< S+ 0 0 87 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.684 113.6 43.7 -72.2 -19.4 1.6 -19.5 25.0 61 61 A L H << S- 0 0 74 -3,-1.3 2,-0.3 -4,-0.7 -2,-0.2 0.765 125.2 -0.9 -97.3 -32.9 1.1 -16.1 26.8 62 62 A T < - 0 0 14 -4,-2.1 -1,-0.3 2,-0.1 -28,-0.1 -0.989 41.7-147.1-158.5 153.3 -2.4 -15.0 25.6 63 63 A D + 0 0 162 -2,-0.3 3,-0.1 -3,-0.1 -4,-0.1 0.380 69.7 110.5-103.9 2.7 -5.2 -15.9 23.3 64 64 A K S S- 0 0 88 1,-0.2 -30,-0.1 -34,-0.1 -2,-0.1 -0.272 81.7 -76.5 -77.3 161.2 -6.0 -12.3 22.6 65 65 A P + 0 0 23 0, 0.0 -26,-0.5 0, 0.0 2,-0.3 -0.209 53.4 175.4 -62.6 149.6 -5.4 -10.8 19.1 66 66 A F E -f 39 0B 15 -28,-0.2 25,-1.3 -3,-0.1 24,-0.6 -0.965 18.0-133.1-146.7 161.7 -1.9 -9.8 18.0 67 67 A G E -fg 40 91B 0 -28,-3.5 -26,-2.6 -2,-0.3 2,-0.4 -0.717 1.6-148.5-111.5 163.5 -0.1 -8.5 15.0 68 68 A V E -fg 41 92B 0 23,-1.6 25,-1.8 -28,-0.3 2,-0.6 -0.994 15.4-143.5-127.2 129.3 3.0 -9.4 13.0 69 69 A N E -fg 42 93B 15 -28,-3.5 -26,-2.1 -2,-0.4 2,-0.5 -0.834 17.5-158.0 -91.1 118.4 4.9 -6.6 11.2 70 70 A I E - g 0 94B 2 23,-3.0 25,-1.6 -2,-0.6 2,-0.7 -0.873 11.0-148.1-103.8 126.5 6.3 -7.8 7.9 71 71 A X > - 0 0 62 -27,-0.6 3,-1.3 -2,-0.5 9,-0.1 -0.837 13.1-156.3 -89.0 115.2 9.2 -6.1 6.2 72 72 A L T 3 S+ 0 0 11 -2,-0.7 -1,-0.1 1,-0.3 25,-0.1 0.645 86.3 55.0 -75.7 -16.5 8.4 -6.6 2.5 73 73 A L T 3 S+ 0 0 145 23,-0.4 -1,-0.3 4,-0.1 24,-0.1 0.335 79.0 122.1 -98.9 5.7 12.0 -6.2 1.2 74 74 A S S X S- 0 0 5 -3,-1.3 3,-1.6 -30,-0.2 4,-0.2 -0.387 71.7-128.2 -60.9 141.2 13.3 -9.0 3.5 75 75 A P T 3 S+ 0 0 106 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.745 113.2 49.3 -64.0 -17.8 14.9 -11.8 1.6 76 76 A F T >> S+ 0 0 73 1,-0.2 4,-1.9 2,-0.1 3,-0.7 0.238 74.0 116.6-103.4 11.0 12.6 -14.1 3.7 77 77 A V H <> S+ 0 0 14 -3,-1.6 4,-2.6 1,-0.2 5,-0.2 0.853 73.9 54.3 -48.2 -43.9 9.3 -12.1 3.0 78 78 A E H 3> S+ 0 0 93 -3,-0.3 4,-1.9 -4,-0.2 -1,-0.2 0.904 110.4 46.6 -62.1 -38.4 7.7 -15.0 1.1 79 79 A D H <> S+ 0 0 69 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.838 111.5 50.8 -69.0 -37.1 8.3 -17.3 4.1 80 80 A I H X S+ 0 0 3 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.890 108.7 51.7 -71.3 -39.1 7.0 -14.7 6.6 81 81 A V H X S+ 0 0 0 -4,-2.6 4,-1.5 -5,-0.2 -2,-0.2 0.945 111.8 47.7 -57.5 -49.6 3.8 -14.3 4.5 82 82 A D H X S+ 0 0 44 -4,-1.9 4,-2.9 -5,-0.2 -2,-0.2 0.932 110.5 53.3 -51.4 -50.4 3.4 -18.1 4.6 83 83 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.895 105.7 49.4 -60.2 -46.1 3.9 -18.2 8.3 84 84 A V H <>S+ 0 0 0 -4,-2.3 5,-2.7 1,-0.2 4,-0.4 0.877 115.8 44.6 -66.5 -34.2 1.3 -15.6 9.3 85 85 A I H ><5S+ 0 0 44 -4,-1.5 3,-1.0 -5,-0.2 -2,-0.2 0.923 113.6 50.2 -69.0 -48.4 -1.3 -17.3 7.2 86 86 A E H 3<5S+ 0 0 107 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.857 114.5 44.9 -56.9 -38.7 -0.2 -20.8 8.5 87 87 A E T 3<5S- 0 0 32 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.445 110.6-118.7 -90.6 -3.5 -0.4 -19.6 12.1 88 88 A G T < 5 - 0 0 49 -3,-1.0 -3,-0.2 -4,-0.4 -4,-0.1 0.854 40.3-173.0 70.2 35.0 -3.7 -17.8 11.8 89 89 A V < - 0 0 3 -5,-2.7 -1,-0.2 -6,-0.2 23,-0.1 -0.402 17.0-148.2 -62.2 133.1 -2.4 -14.4 12.7 90 90 A K S S+ 0 0 118 -24,-0.6 22,-2.4 1,-0.2 2,-0.4 0.871 73.8 26.2 -73.6 -37.3 -5.2 -11.8 13.1 91 91 A V E -gh 67 112B 0 -25,-1.3 -23,-1.6 20,-0.2 2,-0.4 -0.979 57.7-166.2-134.7 137.1 -3.4 -8.7 11.9 92 92 A V E -gh 68 113B 0 20,-2.9 22,-3.0 -2,-0.4 2,-0.3 -0.992 4.5-169.7-120.0 130.9 -0.5 -7.9 9.6 93 93 A T E -gh 69 114B 0 -25,-1.8 -23,-3.0 -2,-0.4 2,-0.4 -0.865 12.9-155.3-107.4 152.1 1.2 -4.5 9.5 94 94 A T E -gh 70 115B 0 20,-1.1 22,-2.9 -2,-0.3 -23,-0.2 -0.991 5.3-152.4-132.1 137.8 3.7 -3.8 6.7 95 95 A G - 0 0 14 -25,-1.6 2,-0.3 -2,-0.4 21,-0.2 0.210 60.5 -30.7 -79.4-150.6 6.7 -1.4 6.3 96 96 A A S S+ 0 0 81 19,-0.1 -23,-0.4 2,-0.1 2,-0.3 -0.568 101.8 72.1 -77.3 128.3 8.0 0.1 3.1 97 97 A G S S- 0 0 33 -2,-0.3 -24,-0.0 -25,-0.1 -3,-0.0 -0.930 93.5 -56.0 162.5-149.8 7.6 -2.2 0.1 98 98 A N > + 0 0 85 -2,-0.3 3,-1.4 1,-0.1 4,-0.2 -0.774 37.7 179.2-129.6 89.0 4.5 -3.3 -2.0 99 99 A P G >> S+ 0 0 5 0, 0.0 3,-2.1 0, 0.0 4,-1.2 0.709 72.6 82.2 -59.5 -19.5 1.6 -4.9 -0.0 100 100 A S G 34 S+ 0 0 62 1,-0.3 4,-0.5 2,-0.2 3,-0.1 0.789 80.8 64.3 -58.5 -29.9 -0.4 -5.2 -3.3 101 101 A K G <4 S+ 0 0 136 -3,-1.4 -1,-0.3 1,-0.2 4,-0.1 0.725 117.2 26.3 -59.8 -25.0 1.5 -8.4 -4.1 102 102 A Y T <> S+ 0 0 11 -3,-2.1 4,-2.6 -4,-0.2 5,-0.2 0.484 91.7 100.0-120.5 -8.9 0.0 -10.1 -1.0 103 103 A X H X S+ 0 0 4 -4,-1.2 4,-2.3 1,-0.2 5,-0.2 0.879 86.5 42.4 -55.3 -52.7 -3.3 -8.3 -0.4 104 104 A E H > S+ 0 0 131 -4,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.885 115.0 52.7 -65.2 -36.8 -5.8 -10.8 -1.9 105 105 A R H > S+ 0 0 104 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.920 110.2 47.2 -61.7 -47.7 -3.8 -13.7 -0.3 106 106 A F H <>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 4,-0.3 0.906 115.1 46.5 -57.3 -46.1 -4.0 -12.1 3.1 107 107 A H H ><5S+ 0 0 53 -4,-2.3 3,-1.0 -5,-0.2 -2,-0.2 0.857 106.2 56.8 -71.2 -34.9 -7.7 -11.4 2.7 108 108 A E H 3<5S+ 0 0 164 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.783 110.1 47.9 -64.4 -25.3 -8.5 -14.9 1.3 109 109 A A T 3<5S- 0 0 49 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.490 120.7-112.3 -89.4 -5.6 -7.0 -16.1 4.6 110 110 A G T < 5 + 0 0 58 -3,-1.0 2,-0.3 -4,-0.3 -3,-0.2 0.676 64.1 150.0 83.7 19.2 -9.1 -13.7 6.7 111 111 A I < - 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0 0 9 -3,-1.1 2,-0.2 -4,-0.6 -3,-0.0 -0.303 53.0-144.4 -67.0 142.3 17.9 10.9 26.4 214 214 A R > - 0 0 148 1,-0.1 3,-2.0 72,-0.0 71,-0.3 -0.581 33.3 -98.9 -94.2 166.0 17.1 14.6 26.1 215 215 A D T 3 S+ 0 0 10 1,-0.3 3,-0.5 70,-0.2 70,-0.2 0.852 124.3 46.3 -49.0 -39.9 14.6 16.0 23.5 216 216 A I T 3 S+ 0 0 64 1,-0.2 -1,-0.3 69,-0.1 66,-0.1 0.243 84.6 97.7 -92.0 12.3 17.5 16.9 21.2 217 217 A D < + 0 0 25 -3,-2.0 16,-3.0 65,-0.2 2,-0.3 0.399 62.8 84.8 -92.3 4.8 19.4 13.6 21.4 218 218 A T E -J 232 0C 13 -3,-0.5 2,-0.3 14,-0.3 14,-0.2 -0.693 53.7-175.4 -99.8 160.8 18.1 11.9 18.2 219 219 A T E -J 231 0C 29 12,-2.3 12,-2.0 -2,-0.3 2,-0.5 -0.969 25.9-117.0-146.1 159.2 19.6 12.3 14.7 220 220 A I E -J 230 0C 36 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.901 31.7-170.8-100.8 124.3 18.8 11.3 11.2 221 221 A S E +J 229 0C 17 8,-2.7 8,-2.1 -2,-0.5 16,-0.0 -0.786 61.8 16.3-106.8 157.3 21.4 9.1 9.5 222 222 A A S > >S+ 0 0 12 -2,-0.3 5,-2.0 6,-0.2 3,-0.8 0.656 71.7 139.0 62.7 21.2 21.7 8.0 5.8 223 223 A Q G > 5 + 0 0 94 1,-0.2 3,-1.6 3,-0.2 5,-0.3 0.885 67.9 58.4 -61.6 -37.8 19.2 10.6 4.5 224 224 A H G 3 5S+ 0 0 87 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.692 103.7 51.9 -69.2 -18.9 21.4 11.2 1.5 225 225 A F G < 5S- 0 0 60 -3,-0.8 -1,-0.3 2,-0.0 -2,-0.2 0.378 118.9-108.7 -95.6 2.0 21.2 7.5 0.4 226 226 A G T < 5S+ 0 0 61 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.698 97.2 98.7 77.5 22.1 17.4 7.5 0.6 227 227 A H < - 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0 0 48 -3,-1.2 -3,-0.2 -4,-0.4 2,-0.2 0.891 39.6-174.7 66.1 40.9 3.6 51.0 22.6 408 89 B V < - 0 0 3 -5,-2.4 -1,-0.2 -6,-0.1 -22,-0.1 -0.492 18.7-147.5 -67.4 138.5 3.3 47.5 21.0 409 90 B K S S+ 0 0 128 -24,-0.7 22,-2.6 -2,-0.2 2,-0.4 0.821 74.4 28.7 -80.6 -32.1 1.8 45.1 23.5 410 91 B V E -st 386 431F 0 -25,-1.0 -23,-1.7 20,-0.2 2,-0.4 -0.987 56.8-167.5-136.1 137.7 3.6 41.9 22.4 411 92 B V E -st 387 432F 0 20,-2.6 22,-2.7 -2,-0.4 2,-0.3 -0.995 5.5-168.1-121.0 128.4 6.9 41.0 20.8 412 93 B T E -st 388 433F 0 -25,-2.0 -23,-2.8 -2,-0.4 2,-0.4 -0.817 11.4-153.2-102.7 156.1 7.7 37.6 19.4 413 94 B T E +st 389 434F 1 20,-1.1 22,-2.9 -2,-0.3 -23,-0.2 -0.997 17.1 174.5-134.8 129.5 11.3 36.8 18.5 414 95 B G + 0 0 22 -25,-1.3 21,-0.2 -2,-0.4 -24,-0.1 0.524 62.5 28.9 -92.8-112.8 12.5 34.3 15.9 415 96 B A S S+ 0 0 36 2,-0.1 -24,-1.7 3,-0.0 -1,-0.3 -0.062 105.0 22.5 -50.8 141.7 16.2 34.1 15.2 416 97 B G S S- 0 0 38 -25,-0.1 -25,-0.1 -26,-0.1 -24,-0.1 0.054 91.0 -66.9 92.8 166.6 18.7 35.0 18.0 417 98 B N > - 0 0 101 1,-0.1 3,-0.7 -26,-0.1 4,-0.1 -0.862 33.7-161.5 -95.4 115.9 18.8 35.2 21.8 418 99 B P T >> + 0 0 3 0, 0.0 3,-1.8 0, 0.0 4,-1.0 0.380 65.2 104.7 -79.4 5.4 16.5 38.0 23.1 419 100 B S H >> S+ 0 0 53 1,-0.3 3,-0.6 2,-0.2 4,-0.5 0.858 71.7 64.6 -52.3 -40.9 18.3 38.1 26.5 420 101 B K H <4 S+ 0 0 175 -3,-0.7 -1,-0.3 1,-0.2 4,-0.2 0.770 114.9 29.1 -47.0 -35.3 20.0 41.3 25.4 421 102 B Y H <> S+ 0 0 11 -3,-1.8 4,-2.8 2,-0.1 5,-0.2 0.452 89.7 100.2-113.3 -6.9 16.7 43.1 25.3 422 103 B X H S+ 0 0 101 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.924 110.5 46.1 -61.6 -44.6 14.4 46.7 28.3 425 106 B F H X>S+ 0 0 0 -4,-2.8 5,-2.5 1,-0.2 4,-0.7 0.910 113.9 48.4 -63.5 -44.0 11.1 45.2 27.0 426 107 B H H <5S+ 0 0 59 -4,-2.2 3,-0.5 -5,-0.2 -2,-0.2 0.854 106.6 55.2 -69.6 -34.2 9.9 44.6 30.5 427 108 B E H <5S+ 0 0 172 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.839 110.3 48.4 -62.6 -32.7 10.7 48.1 31.7 428 109 B A H <5S- 0 0 50 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.598 119.6-114.5 -79.0 -15.9 8.6 49.3 28.8 429 110 B G T <5 + 0 0 60 -4,-0.7 2,-0.2 -3,-0.5 -3,-0.2 0.602 62.4 151.4 91.0 14.1 5.8 46.9 29.8 430 111 B I < - 0 0 6 -5,-2.5 2,-0.5 -6,-0.1 -1,-0.3 -0.564 46.4-127.4 -81.6 138.5 6.0 44.7 26.7 431 112 B I E -t 410 0F 28 -22,-2.6 -20,-2.6 -2,-0.2 2,-0.5 -0.764 27.8-151.0 -82.8 127.6 4.9 41.0 26.8 432 113 B V E +t 411 0F 0 -2,-0.5 19,-2.2 17,-0.2 20,-1.0 -0.908 20.7 174.9-116.4 125.4 7.8 38.9 25.4 433 114 B I E -t 412 0F 0 -22,-2.7 -20,-1.1 -2,-0.5 20,-0.2 -0.849 12.8-163.1-133.0 88.9 7.3 35.6 23.7 434 115 B P E -t 413 0F 2 0, 0.0 20,-2.4 0, 0.0 2,-0.5 -0.470 21.9-122.9 -69.8 141.8 10.4 33.9 22.1 435 116 B V E -o 454 0E 36 -22,-2.9 20,-0.2 18,-0.2 18,-0.0 -0.779 36.2-164.0 -80.1 128.5 10.2 31.1 19.5 436 117 B V E -o 455 0E 4 18,-3.0 20,-1.0 -2,-0.5 29,-0.1 -0.911 26.9-166.1-122.4 142.6 12.1 28.1 20.9 437 118 B P S S+ 0 0 66 0, 0.0 30,-0.4 0, 0.0 2,-0.3 0.345 72.5 27.2-102.9 6.4 13.4 25.0 19.2 438 119 B S S > S- 0 0 11 1,-0.1 4,-2.1 27,-0.1 5,-0.1 -0.990 74.4-110.1-160.7 161.8 14.2 22.9 22.4 439 120 B V H > S+ 0 0 25 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.925 116.5 53.6 -60.4 -47.0 13.5 22.2 26.0 440 121 B A H > S+ 0 0 59 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.910 111.5 44.8 -59.8 -43.0 16.8 23.7 27.1 441 122 B L H > S+ 0 0 80 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.883 112.0 52.5 -67.9 -38.8 16.1 27.0 25.3 442 123 B A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.893 109.5 49.6 -60.4 -42.4 12.5 27.1 26.6 443 124 B K H X S+ 0 0 76 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.895 112.3 47.7 -66.0 -38.6 13.8 26.7 30.2 444 125 B R H X S+ 0 0 97 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.907 109.5 51.9 -71.5 -39.2 16.3 29.4 29.7 445 126 B X H <>S+ 0 0 12 -4,-2.6 5,-2.9 1,-0.2 4,-0.2 0.905 111.1 50.7 -58.0 -41.9 13.8 31.8 28.2 446 127 B E H ><5S+ 0 0 51 -4,-2.2 3,-1.4 3,-0.2 -2,-0.2 0.932 109.9 47.8 -60.4 -47.7 11.6 31.1 31.2 447 128 B K H 3<5S+ 0 0 152 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.766 108.8 53.3 -73.2 -24.6 14.4 31.8 33.8 448 129 B I T 3<5S- 0 0 45 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.390 129.5 -94.9 -87.3 2.9 15.4 35.1 32.1 449 130 B G T < 5 + 0 0 30 -3,-1.4 -17,-0.2 1,-0.2 -3,-0.2 0.508 59.7 167.9 102.7 8.2 11.7 36.2 32.3 450 131 B A < - 0 0 4 -5,-2.9 -1,-0.2 -6,-0.2 -17,-0.2 -0.226 31.1-143.5 -50.2 138.7 9.9 35.3 29.0 451 132 B D S S- 0 0 46 -19,-2.2 2,-0.3 1,-0.2 -18,-0.2 0.732 75.8 -19.2 -80.2 -23.4 6.2 35.7 29.5 452 133 B A - 0 0 0 -20,-1.0 2,-0.3 30,-0.2 -1,-0.2 -0.926 66.3-131.5-168.1 167.7 5.4 32.7 27.2 453 134 B V E - p 0 484E 0 30,-1.9 32,-2.7 -2,-0.3 2,-0.6 -0.984 8.8-136.0-134.4 150.2 7.2 30.7 24.5 454 135 B I E -op 435 485E 0 -20,-2.4 -18,-3.0 -2,-0.3 2,-0.9 -0.932 14.4-155.7-101.0 119.2 6.2 29.6 21.0 455 136 B A E -op 436 486E 0 30,-2.7 32,-2.2 -2,-0.6 2,-0.6 -0.850 16.2-166.0 -95.4 103.5 7.2 25.9 20.4 456 137 B E E - p 0 487E 43 -20,-1.0 9,-0.3 -2,-0.9 32,-0.2 -0.838 8.9-140.5-100.0 119.6 7.5 25.8 16.6 457 138 B G > - 0 0 0 30,-2.7 3,-2.1 -2,-0.6 11,-0.3 -0.294 24.4-112.1 -73.5 156.8 7.7 22.4 14.9 458 139 B X T 3 S+ 0 0 8 9,-2.1 10,-0.2 1,-0.3 -1,-0.1 0.637 113.0 72.0 -64.1 -16.2 10.0 21.6 11.9 459 140 B E T 3 S+ 0 0 0 29,-0.1 144,-2.3 8,-0.1 145,-0.4 0.621 79.0 107.5 -69.3 -16.2 6.8 21.2 9.7 460 141 B A S < S- 0 0 8 -3,-2.1 89,-0.2 142,-0.2 141,-0.2 -0.164 79.3-104.1 -58.3 153.9 6.4 25.0 9.9 461 142 B G S S+ 0 0 25 139,-0.1 141,-0.2 141,-0.1 89,-0.2 -0.446 82.7 15.8 -70.8 157.1 7.2 27.3 7.0 462 143 B G E S+U 549 0G 8 87,-2.2 87,-3.0 139,-0.3 2,-0.4 -0.426 115.7 8.7 87.1-154.8 10.4 29.2 6.9 463 144 B H E S-U 548 0G 120 85,-0.3 2,-0.3 -2,-0.1 85,-0.2 -0.531 80.2-168.8 -68.1 122.2 13.5 28.8 9.0 464 145 B I - 0 0 20 83,-2.1 83,-0.2 -2,-0.4 -6,-0.1 -0.795 21.9-145.0-119.5 153.9 13.1 25.5 10.9 465 146 B G - 0 0 32 -9,-0.3 -1,-0.1 -2,-0.3 -27,-0.1 -0.114 35.8-104.2 -88.4-160.6 14.6 23.5 13.8 466 147 B K S S+ 0 0 161 -29,-0.2 2,-0.2 -2,-0.1 -8,-0.1 0.695 87.6 86.9-103.3 -28.4 14.8 19.7 14.0 467 148 B L S S- 0 0 10 -30,-0.4 -9,-2.1 -11,-0.1 -2,-0.2 -0.501 72.0-128.5 -79.5 147.2 12.0 18.8 16.5 468 149 B T > - 0 0 0 -11,-0.3 4,-3.2 -2,-0.2 5,-0.4 -0.429 23.4-107.3 -86.7 165.2 8.4 18.3 15.3 469 150 B T H >>S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 5,-0.5 0.909 117.0 55.1 -56.3 -45.2 5.3 19.9 16.7 470 151 B X H >5S+ 0 0 1 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.918 120.1 30.3 -55.4 -47.0 4.1 16.6 18.3 471 152 B T H >5S+ 0 0 0 2,-0.2 4,-2.2 3,-0.1 5,-0.2 0.902 121.2 48.0 -86.9 -41.4 7.4 16.1 20.2 472 153 B L H X5S+ 0 0 1 -4,-3.2 4,-2.8 2,-0.2 5,-0.3 0.949 112.8 46.4 -65.4 -51.6 8.5 19.7 20.8 473 154 B V H X5S+ 0 0 0 -4,-1.9 4,-2.9 -5,-0.4 5,-0.2 0.944 114.5 48.7 -59.8 -45.6 5.2 21.1 22.1 474 155 B R H X S- 0 0 20 129,-0.1 4,-2.6 116,-0.0 5,-0.2 -0.936 90.4 -88.3-150.4 179.7 -7.9 23.5 10.9 493 174 B G H > S+ 0 0 1 -2,-0.3 4,-3.1 127,-0.2 5,-0.2 0.855 123.1 55.1 -59.7 -36.8 -9.8 22.9 14.1 494 175 B E H > S+ 0 0 50 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.932 110.1 44.5 -62.7 -48.4 -8.5 19.4 14.4 495 176 B G H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.908 114.8 50.3 -60.8 -44.1 -4.9 20.5 14.3 496 177 B A H X S+ 0 0 2 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.931 110.0 49.3 -60.5 -45.7 -5.7 23.3 16.7 497 178 B A H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.894 107.9 55.3 -61.2 -39.9 -7.4 20.9 19.2 498 179 B A H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.929 103.9 54.1 -56.6 -49.0 -4.3 18.6 18.9 499 180 B G H <>S+ 0 0 0 -4,-2.1 5,-1.9 1,-0.2 4,-0.3 0.885 108.5 49.6 -52.2 -44.0 -2.0 21.5 20.0 500 181 B F H ><5S+ 0 0 7 -4,-1.7 3,-1.5 1,-0.2 -1,-0.2 0.888 106.5 55.2 -61.7 -40.2 -4.2 22.0 23.0 501 182 B X H 3<5S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.861 101.9 58.3 -61.9 -34.7 -4.0 18.3 23.9 502 183 B L T 3<5S- 0 0 0 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.577 130.4 -94.7 -71.3 -11.7 -0.2 18.5 23.9 503 184 B G T < 5S+ 0 0 16 -3,-1.5 -19,-0.4 1,-0.3 -3,-0.2 0.541 76.8 142.2 108.5 11.7 -0.4 21.2 26.6 504 185 B A < - 0 0 3 -5,-1.9 -1,-0.3 1,-0.1 -19,-0.2 -0.541 39.8-156.8 -76.4 152.2 -0.4 24.4 24.6 505 186 B E S S+ 0 0 46 -21,-2.9 -181,-0.4 1,-0.2 -180,-0.3 0.288 78.1 10.6-113.0 6.4 -2.6 27.3 25.7 506 187 B A E S- q 0 485E 0 -22,-0.7 -20,-2.3 -182,-0.1 2,-0.3 -0.940 71.2-130.3-165.2 167.9 -2.7 28.9 22.3 507 188 B V E -mq 334 486E 0 -174,-2.0 -172,-3.1 -2,-0.3 2,-0.5 -0.953 7.8-148.0-126.3 147.9 -1.8 28.1 18.7 508 189 B Q E -mq 335 487E 17 -22,-2.9 -20,-0.7 -2,-0.3 2,-0.4 -0.975 14.7-165.1-116.6 130.7 0.1 30.1 16.1 509 190 B V E +m 336 0E 1 -174,-2.8 -172,-1.9 -2,-0.5 -18,-0.1 -0.954 20.6 155.5-120.4 128.8 -0.8 29.7 12.4 510 191 B G >> + 0 0 24 -2,-0.4 3,-1.0 -20,-0.3 4,-1.0 0.711 67.6 46.9-112.0 -72.6 1.3 30.8 9.5 511 192 B T H >> S+ 0 0 14 1,-0.3 3,-1.0 2,-0.2 4,-0.5 0.818 111.7 50.3 -45.4 -48.3 0.7 29.0 6.2 512 193 B R H >4 S+ 0 0 11 -22,-0.4 3,-0.9 1,-0.3 -1,-0.3 0.847 105.1 57.1 -68.3 -32.2 -3.1 29.2 6.3 513 194 B F H X4 S+ 0 0 0 -3,-1.0 3,-1.3 1,-0.2 -1,-0.3 0.708 90.8 73.9 -68.8 -19.1 -3.1 33.0 7.0 514 195 B V H << S+ 0 0 4 -4,-1.0 7,-0.3 -3,-1.0 -1,-0.2 0.833 98.2 46.9 -60.4 -31.6 -1.1 33.5 3.8 515 196 B V T << S+ 0 0 0 -3,-0.9 97,-0.4 -4,-0.5 -1,-0.3 0.321 83.7 129.0 -96.7 7.1 -4.2 32.8 1.7 516 197 B A S X S- 0 0 0 -3,-1.3 3,-1.3 95,-0.2 97,-0.2 -0.285 71.2-119.9 -55.8 145.0 -6.4 35.1 3.8 517 198 B K T 3 S+ 0 0 122 95,-2.5 96,-0.2 1,-0.3 -1,-0.1 0.840 116.4 51.3 -57.7 -32.5 -8.4 37.6 1.7 518 199 B E T 3 S+ 0 0 62 94,-0.3 -1,-0.3 -171,-0.1 2,-0.2 0.548 86.7 105.4 -84.2 -10.9 -6.6 40.4 3.6 519 200 B S < - 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