==== 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 TRANSPORT PROTEIN 15-FEB-08 3C9H . COMPND 2 MOLECULE: ABC TRANSPORTER, SUBSTRATE BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR.; . AUTHOR R.ZHANG,X.XU,H.ZHENG,A.SAVCHENKO,A.M.EDWARDS,A.JOACHIMIAK,MI . 673 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27353.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 502 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 11.6 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 . 2 0.3 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 . 45 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 222 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.5 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 2 0 0 0 3 4 7 0 3 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 8 0 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 PARALLEL BRIDGES PER LADDER . 2 8 2 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 4 0 2 0 0 0 0 0 0 0 0 1 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 16 A P 0 0 85 0, 0.0 2,-0.5 0, 0.0 346,-0.2 0.000 360.0 360.0 360.0 149.1 34.7 11.0 18.5 2 17 A A E -A 346 0A 26 344,-2.5 344,-2.8 52,-0.0 2,-0.3 -0.774 360.0-156.5 -81.8 122.8 38.1 9.4 19.5 3 18 A L E +A 345 0A 75 -2,-0.5 48,-0.4 342,-0.2 2,-0.3 -0.724 20.8 168.8-109.0 153.1 38.4 6.1 17.6 4 19 A A E -A 344 0A 4 340,-2.2 340,-3.5 -2,-0.3 2,-0.7 -0.961 28.5-141.3-156.4 138.4 40.3 2.9 18.1 5 20 A Q E -AB 343 49A 89 44,-2.5 44,-2.8 -2,-0.3 2,-0.5 -0.945 31.6-157.8 -98.1 116.2 40.3 -0.6 16.5 6 21 A V E -AB 342 48A 12 336,-3.3 336,-2.0 -2,-0.7 2,-0.4 -0.843 15.5-178.0-101.4 131.5 40.8 -2.9 19.5 7 22 A A E -AB 341 47A 1 40,-2.6 40,-2.9 -2,-0.5 2,-0.6 -0.996 10.3-158.2-127.5 125.5 42.1 -6.4 19.1 8 23 A V E -AB 340 46A 45 332,-2.4 332,-1.7 -2,-0.4 38,-0.2 -0.908 3.4-166.3-111.4 117.9 42.5 -8.7 22.2 9 24 A F E - B 0 45A 13 36,-3.2 36,-2.3 -2,-0.6 3,-0.1 -0.876 17.9-137.5-104.1 109.4 44.9 -11.6 22.0 10 25 A P - 0 0 89 0, 0.0 33,-0.1 0, 0.0 7,-0.0 -0.256 36.6 -83.7 -63.6 153.0 44.5 -14.2 24.9 11 26 A A > - 0 0 24 31,-0.2 3,-1.3 1,-0.1 31,-0.2 -0.280 33.8-135.8 -52.4 134.5 47.5 -15.6 26.6 12 27 A L T 3 S+ 0 0 99 31,-0.3 30,-0.2 28,-0.3 -1,-0.1 0.851 104.5 56.3 -63.8 -33.4 48.9 -18.6 24.5 13 28 A S T 3 0 0 67 28,-3.4 -1,-0.2 27,-0.1 29,-0.1 0.516 360.0 360.0 -71.6 -6.9 49.3 -20.6 27.7 14 29 A G < 0 0 96 -3,-1.3 -2,-0.1 27,-0.3 28,-0.1 0.550 360.0 360.0 74.1 360.0 45.7 -20.2 28.6 15 ! 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 16 34 A Q 0 0 139 0, 0.0 28,-2.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 117.0 48.0 -10.3 33.0 17 35 A T E -c 44 0A 62 26,-0.2 2,-0.5 28,-0.1 28,-0.2 -0.935 360.0-147.1-112.7 123.1 47.1 -8.1 30.0 18 36 A L E -c 45 0A 0 26,-2.9 28,-3.9 -2,-0.5 2,-0.5 -0.747 15.2-151.7 -78.3 127.8 49.5 -5.8 28.2 19 37 A V E -c 46 0A 35 -2,-0.5 52,-2.3 26,-0.2 53,-1.1 -0.927 14.6-173.2-106.9 126.0 47.7 -2.7 26.9 20 38 A V E -cd 47 72A 0 26,-2.9 28,-2.9 -2,-0.5 2,-0.6 -0.967 17.7-162.7-120.6 126.0 49.2 -1.0 23.8 21 39 A Y E +cd 48 73A 7 51,-2.5 53,-2.5 -2,-0.4 2,-0.3 -0.967 34.6 161.6 -99.9 118.1 48.2 2.2 22.1 22 40 A S E -cd 49 74A 0 26,-3.0 28,-2.4 -2,-0.6 53,-0.2 -0.971 47.5-155.5-141.9 146.5 49.8 2.1 18.6 23 41 A S + 0 0 11 51,-2.1 2,-0.5 -2,-0.3 52,-0.1 0.473 65.5 113.0 -95.8 -4.5 49.5 3.6 15.2 24 42 A L S S- 0 0 4 50,-0.4 5,-0.2 1,-0.1 -2,-0.1 -0.596 84.2-106.6 -71.7 117.6 50.9 0.5 13.5 25 43 A D >> - 0 0 40 -2,-0.5 4,-1.6 1,-0.1 3,-1.2 -0.218 30.1-122.9 -51.7 129.0 48.0 -0.9 11.5 26 44 A E H 3> S+ 0 0 33 1,-0.3 4,-1.4 2,-0.2 -1,-0.1 0.787 105.4 55.3 -51.0 -43.8 46.8 -4.0 13.3 27 45 A P H 34 S+ 0 0 98 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.874 112.4 44.3 -62.9 -31.5 47.2 -6.5 10.5 28 46 A L H <4 S+ 0 0 16 -3,-1.2 4,-0.4 1,-0.2 -2,-0.2 0.771 112.1 54.5 -76.0 -26.5 50.9 -5.5 10.1 29 47 A A H >X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 3,-0.9 0.739 86.0 85.4 -75.0 -22.1 51.3 -5.6 13.9 30 48 A T H 3X S+ 0 0 25 -4,-1.4 4,-3.0 1,-0.3 5,-0.2 0.847 85.0 52.1 -57.6 -44.3 50.0 -9.2 14.2 31 49 A P H 3> S+ 0 0 27 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.830 111.5 48.8 -60.5 -32.9 53.4 -10.9 13.6 32 50 A M H <> S+ 0 0 0 -3,-0.9 4,-2.6 -4,-0.4 -2,-0.2 0.932 112.5 47.7 -68.9 -45.4 55.0 -8.8 16.3 33 51 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.926 113.1 48.4 -59.4 -46.9 52.2 -9.6 18.7 34 52 A E H X S+ 0 0 89 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.912 111.6 49.9 -61.3 -42.7 52.5 -13.3 17.9 35 53 A G H X S+ 0 0 3 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.929 111.6 48.0 -62.0 -45.9 56.3 -13.2 18.3 36 54 A F H X S+ 0 0 0 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.915 112.8 48.6 -57.2 -47.7 56.0 -11.5 21.7 37 55 A Q H < S+ 0 0 6 -4,-2.5 6,-0.2 2,-0.2 -2,-0.2 0.878 107.8 53.3 -66.8 -40.6 53.3 -14.0 22.8 38 56 A K H < S+ 0 0 150 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.869 113.5 44.7 -58.5 -39.5 55.4 -17.0 21.8 39 57 A A H < S+ 0 0 54 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.761 126.9 32.6 -70.6 -27.5 58.3 -15.6 23.8 40 58 A N >< + 0 0 27 -4,-1.3 3,-1.8 -5,-0.2 -28,-0.3 -0.664 68.3 174.0-134.4 73.5 55.8 -14.8 26.7 41 59 A P T 3 S+ 0 0 59 0, 0.0 -28,-3.4 0, 0.0 -27,-0.3 0.618 76.0 58.3 -64.8 -12.9 53.0 -17.5 26.7 42 60 A D T 3 S+ 0 0 113 -30,-0.2 2,-0.6 -31,-0.2 -31,-0.2 0.381 87.5 94.3 -94.4 3.8 51.4 -16.1 29.9 43 61 A I < - 0 0 3 -3,-1.8 -31,-0.3 -6,-0.2 -26,-0.2 -0.873 58.4-154.9-108.5 120.9 50.7 -12.6 28.6 44 62 A A E - c 0 17A 13 -28,-2.5 -26,-2.9 -2,-0.6 2,-0.5 -0.547 16.3-143.3 -78.1 149.8 47.5 -11.4 27.0 45 63 A V E -Bc 9 18A 0 -36,-2.3 -36,-3.2 -28,-0.2 2,-0.7 -0.979 12.7-167.1-125.1 119.6 47.8 -8.4 24.6 46 64 A H E -Bc 8 19A 48 -28,-3.9 -26,-2.9 -2,-0.5 2,-0.6 -0.897 19.1-168.2-103.2 101.6 45.2 -5.7 24.4 47 65 A Y E -Bc 7 20A 2 -40,-2.9 -40,-2.6 -2,-0.7 2,-0.6 -0.854 9.8-168.5-105.7 116.7 46.1 -3.8 21.2 48 66 A E E -Bc 6 21A 13 -28,-2.9 -26,-3.0 -2,-0.6 2,-0.6 -0.919 5.8-160.1-108.9 114.3 44.5 -0.5 20.3 49 67 A D E +Bc 5 22A 30 -44,-2.8 -44,-2.5 -2,-0.6 2,-0.3 -0.817 32.0 147.6 -94.2 115.9 45.2 0.8 16.8 50 68 A M - 0 0 7 -28,-2.4 -46,-0.1 -2,-0.6 5,-0.1 -0.940 50.7 -77.8-147.8 163.1 44.6 4.5 16.7 51 69 A L >> - 0 0 47 -48,-0.4 4,-1.8 -2,-0.3 3,-0.8 -0.335 43.1-116.8 -64.2 148.9 45.7 7.7 15.1 52 70 A T H 3> S+ 0 0 8 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.873 115.1 53.7 -56.6 -41.3 48.9 9.3 16.4 53 71 A G H 3> S+ 0 0 23 109,-0.3 4,-2.4 1,-0.2 -1,-0.3 0.801 108.1 51.1 -65.0 -29.4 47.2 12.4 17.6 54 72 A E H <> S+ 0 0 35 -3,-0.8 4,-2.7 2,-0.2 5,-0.3 0.827 103.7 56.4 -77.5 -35.7 44.8 10.2 19.6 55 73 A I H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 5,-0.2 0.964 113.7 42.5 -55.7 -52.6 47.6 8.3 21.2 56 74 A Y H X S+ 0 0 40 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.954 116.4 45.8 -57.6 -57.8 49.0 11.7 22.5 57 75 A D H X S+ 0 0 69 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.888 114.6 48.0 -56.3 -42.1 45.6 13.1 23.5 58 76 A R H X S+ 0 0 48 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.911 110.6 48.6 -70.2 -43.3 44.5 10.0 25.3 59 77 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.3 5,-0.3 0.929 114.8 46.8 -62.3 -43.5 47.7 9.4 27.3 60 78 A V H X S+ 0 0 24 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.935 115.7 45.4 -62.3 -48.8 47.6 13.1 28.4 61 79 A K H X S+ 0 0 122 -4,-2.6 4,-1.7 -5,-0.2 6,-0.2 0.921 116.1 44.2 -61.3 -47.6 43.9 13.0 29.3 62 80 A E H <>S+ 0 0 25 -4,-2.9 5,-2.0 2,-0.2 4,-0.3 0.927 116.4 46.4 -65.8 -45.1 44.1 9.7 31.2 63 81 A T H ><5S+ 0 0 26 -4,-2.4 3,-1.9 -5,-0.3 -2,-0.2 0.951 112.5 49.8 -62.4 -49.1 47.3 10.6 33.0 64 82 A D H 3<5S+ 0 0 105 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.822 105.4 59.5 -59.1 -34.5 46.0 14.1 34.0 65 83 A A T 3<5S- 0 0 64 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.492 116.8-112.4 -71.8 -6.3 42.8 12.4 35.2 66 84 A G T < 5S+ 0 0 72 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.608 78.5 126.4 80.0 12.5 44.7 10.3 37.8 67 85 A K < - 0 0 113 -5,-2.0 -1,-0.3 -6,-0.2 2,-0.1 -0.482 65.9-100.2 -93.7 167.9 43.8 7.2 35.9 68 86 A K - 0 0 128 -2,-0.2 185,-0.2 -3,-0.1 2,-0.2 -0.435 40.2-171.1 -79.5 162.8 46.0 4.5 34.5 69 87 A T B -n 253 0B 9 183,-2.0 185,-1.1 1,-0.2 -50,-0.1 -0.668 36.9 -38.6-137.9-167.9 46.9 4.5 30.8 70 88 A A - 0 0 0 -2,-0.2 -1,-0.2 183,-0.2 -50,-0.2 -0.142 38.6-139.8 -58.2 156.1 48.6 2.2 28.2 71 89 A D S S+ 0 0 0 -52,-2.3 2,-0.3 1,-0.3 -51,-0.2 0.660 91.1 24.3 -87.2 -22.3 51.7 0.1 29.2 72 90 A F E -d 20 0A 0 -53,-1.1 -51,-2.5 177,-0.2 2,-0.5 -0.978 64.7-162.7-147.1 130.5 53.3 0.9 25.8 73 91 A A E -dE 21 248A 0 175,-2.6 175,-1.8 -2,-0.3 2,-0.4 -0.980 10.5-177.5-116.0 127.5 52.8 3.8 23.3 74 92 A F E +dE 22 247A 1 -53,-2.5 -51,-2.1 -2,-0.5 -50,-0.4 -0.961 14.5 161.0-133.9 112.8 54.1 3.3 19.8 75 93 A S E - E 0 246A 1 171,-2.2 171,-3.0 -2,-0.4 169,-0.1 -0.989 45.9-150.6-145.2 141.4 53.7 6.1 17.3 76 94 A S S S+ 0 0 4 -2,-0.4 2,-1.7 169,-0.2 3,-0.2 0.487 82.9 94.4 -82.7 -9.0 55.0 7.5 14.0 77 95 A A > + 0 0 0 1,-0.2 4,-1.9 169,-0.1 3,-0.5 -0.613 57.4 178.9 -84.2 82.2 54.3 11.0 15.3 78 96 A M H > S+ 0 0 0 -2,-1.7 4,-2.4 1,-0.3 -1,-0.2 0.859 73.7 53.0 -59.5 -43.2 57.9 11.4 16.5 79 97 A D H > S+ 0 0 6 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.893 108.1 49.2 -60.1 -41.4 57.3 14.9 17.8 80 98 A L H > S+ 0 0 17 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.837 111.4 50.9 -70.2 -33.2 54.3 14.0 19.9 81 99 A Q H X S+ 0 0 1 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.899 111.0 46.6 -70.2 -42.2 56.2 11.1 21.4 82 100 A V H X S+ 0 0 0 -4,-2.4 4,-3.0 -5,-0.2 -2,-0.2 0.916 110.9 54.5 -66.8 -41.1 59.2 13.3 22.4 83 101 A K H X S+ 0 0 33 -4,-2.7 4,-2.1 2,-0.2 6,-0.2 0.931 107.5 48.7 -55.2 -49.5 56.7 15.9 23.7 84 102 A L H <>S+ 0 0 0 -4,-2.2 5,-2.4 1,-0.2 6,-0.6 0.942 114.4 47.0 -51.8 -47.8 55.1 13.3 26.0 85 103 A S H ><5S+ 0 0 11 -4,-2.0 3,-0.8 1,-0.2 5,-0.2 0.891 112.9 48.5 -65.3 -41.3 58.5 12.3 27.2 86 104 A N H 3<5S+ 0 0 73 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.824 110.8 51.0 -64.6 -33.3 59.6 15.9 27.7 87 105 A D T 3<5S- 0 0 70 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.360 121.2 -99.4 -94.8 6.3 56.5 16.8 29.7 88 106 A G T < 5S+ 0 0 46 -3,-0.8 -3,-0.2 -4,-0.4 -4,-0.1 0.528 90.1 118.3 94.0 7.2 56.7 13.9 32.2 89 107 A Y < + 0 0 40 -5,-2.4 162,-2.0 -6,-0.2 163,-0.4 0.515 68.9 59.0 -85.9 -6.7 54.1 11.5 30.6 90 108 A A E S-O 250 0C 12 -6,-0.6 2,-0.3 160,-0.3 21,-0.1 -0.657 71.6-143.3-109.1 169.7 56.8 8.8 29.9 91 109 A Q E -O 249 0C 50 158,-2.2 158,-0.6 -2,-0.2 -2,-0.0 -0.972 31.1 -93.4-132.2 153.0 59.0 6.9 32.3 92 110 A R - 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0 0 52 -4,-2.8 3,-1.2 -5,-0.2 -1,-0.2 -0.781 58.8-169.8-104.4 105.9 62.3 22.3 0.5 178 196 A G T > S+ 0 0 66 -2,-0.7 3,-0.5 1,-0.3 2,-0.4 0.946 91.4 47.2 -58.8 -48.7 62.0 26.0 0.6 179 197 A D T 3> + 0 0 102 1,-0.2 4,-0.8 2,-0.1 3,-0.5 -0.196 68.6 124.5 -90.9 42.1 59.4 26.0 -2.1 180 198 A I H <> + 0 0 0 -3,-1.2 4,-2.4 -2,-0.4 -1,-0.2 0.796 67.7 68.7 -62.8 -26.9 57.2 23.2 -0.7 181 199 A W H <> S+ 0 0 19 -3,-0.5 4,-3.0 1,-0.3 -1,-0.2 0.837 90.7 57.3 -68.1 -31.0 54.4 25.7 -0.8 182 200 A S H > S+ 0 0 38 -3,-0.5 4,-2.7 2,-0.2 -1,-0.3 0.900 108.9 48.4 -60.9 -39.4 54.4 25.6 -4.7 183 201 A V H X S+ 0 0 1 -4,-0.8 4,-2.3 -3,-0.2 -2,-0.2 0.950 112.6 46.6 -63.2 -49.5 53.8 21.8 -4.3 184 202 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.930 113.8 49.0 -60.3 -45.3 51.0 22.3 -1.8 185 203 A K H X S+ 0 0 92 -4,-3.0 4,-2.3 1,-0.2 5,-0.2 0.954 110.0 50.9 -59.0 -50.5 49.4 25.0 -4.0 186 204 A A H X S+ 0 0 13 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.881 110.0 50.5 -53.1 -42.2 49.7 22.8 -7.1 187 205 A M H <>S+ 0 0 2 -4,-2.3 5,-2.4 2,-0.2 -1,-0.2 0.907 109.1 51.0 -66.0 -41.4 48.0 19.9 -5.2 188 206 A G H ><5S+ 0 0 18 -4,-2.3 3,-1.2 3,-0.2 -2,-0.2 0.891 109.6 50.0 -61.7 -39.3 45.2 22.3 -4.1 189 207 A A H 3<5S+ 0 0 71 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.823 107.1 55.4 -67.0 -32.9 44.7 23.4 -7.7 190 208 A A T 3<5S- 0 0 5 -4,-1.9 -37,-3.2 -5,-0.2 -36,-0.5 0.345 121.0-112.7 -77.5 5.2 44.5 19.7 -8.7 191 209 A G T < 5 - 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0 0 48 -4,-2.6 3,-1.4 -5,-0.2 -1,-0.2 -0.940 51.3-174.1-137.7 97.4 11.8 -22.5 2.0 519 196 B G T > S+ 0 0 70 -2,-0.5 3,-0.6 1,-0.3 -1,-0.1 0.789 93.2 55.3 -65.6 -28.1 12.4 -26.3 2.1 520 197 B D T >> + 0 0 98 1,-0.2 4,-1.0 2,-0.1 3,-0.8 0.096 69.3 113.1 -92.3 24.7 14.5 -26.0 -1.1 521 198 B I H <> S+ 0 0 0 -3,-1.4 4,-2.3 1,-0.2 3,-0.3 0.844 71.0 65.2 -59.3 -28.4 16.8 -23.4 0.5 522 199 B W H <> S+ 0 0 19 -3,-0.6 4,-2.5 1,-0.3 -1,-0.2 0.818 93.7 57.7 -68.6 -29.4 19.4 -26.2 0.1 523 200 B S H <> S+ 0 0 48 -3,-0.8 4,-2.1 2,-0.2 -1,-0.3 0.893 108.9 47.3 -58.6 -42.0 19.1 -26.0 -3.7 524 201 B V H X S+ 0 0 4 -4,-1.0 4,-2.2 -3,-0.3 -2,-0.2 0.937 112.5 46.7 -67.3 -47.6 20.1 -22.3 -3.3 525 202 B I H X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.913 113.2 50.3 -62.4 -42.5 23.0 -22.9 -1.0 526 203 B K H X S+ 0 0 129 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.909 110.6 48.7 -61.9 -45.5 24.3 -25.8 -3.2 527 204 B A H X S+ 0 0 11 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.867 110.4 51.6 -61.4 -38.2 24.1 -23.6 -6.4 528 205 B M H <>S+ 0 0 2 -4,-2.2 5,-2.2 2,-0.2 -2,-0.2 0.912 111.0 47.8 -66.8 -41.3 26.0 -20.8 -4.5 529 206 B G H ><5S+ 0 0 21 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.895 109.7 52.7 -62.4 -39.7 28.7 -23.3 -3.6 530 207 B A H 3<5S+ 0 0 80 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.838 108.2 52.6 -65.5 -28.8 28.8 -24.5 -7.2 531 208 B A T 3<5S- 0 0 6 -4,-1.6 -37,-2.7 -5,-0.2 -36,-0.5 0.311 120.2-109.6 -90.7 10.1 29.3 -20.9 -8.2 532 209 B G T < 5 - 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0 0 58 -4,-1.4 3,-1.8 -5,-0.1 -1,-0.2 -0.867 64.4-165.2-131.5 101.7 27.4 4.7 -4.8 570 247 B P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.672 80.4 67.9 -68.4 -18.4 25.1 4.5 -7.7 571 248 B D T 3 S+ 0 0 68 -24,-0.2 -105,-2.8 -105,-0.1 2,-0.7 0.521 77.8 94.5 -79.9 -5.1 26.2 1.1 -9.0 572 249 B V E < -E 465 0K 3 -3,-1.8 2,-0.3 -107,-0.2 -107,-0.2 -0.811 57.9-172.8 -87.4 115.3 24.8 -0.7 -6.0 573 250 B G E -E 464 0K 3 -109,-2.9 -109,-2.1 -2,-0.7 2,-0.4 -0.744 6.4-153.7-105.0 158.5 21.3 -2.0 -6.8 574 251 B I E -E 463 0K 58 -2,-0.3 2,-0.4 -111,-0.2 -111,-0.2 -0.974 9.2-172.6-133.3 140.6 18.9 -3.7 -4.4 575 252 B V E -E 462 0K 24 -113,-2.6 -113,-2.8 -2,-0.4 -2,-0.0 -0.994 19.1-144.6-135.5 129.8 16.1 -6.1 -4.8 576 253 B L - 0 0 51 -2,-0.4 -115,-0.1 -115,-0.2 5,-0.1 -0.859 42.9-110.4 -84.3 114.4 13.6 -7.3 -2.1 577 254 B P - 0 0 0 0, 0.0 -100,-0.2 0, 0.0 -101,-0.1 -0.280 22.4-150.1 -54.9 132.1 13.1 -10.9 -3.1 578 255 B K S S+ 0 0 144 -102,-3.6 -101,-0.2 1,-0.2 3,-0.2 0.762 91.7 59.5 -80.4 -26.0 9.6 -11.4 -4.4 579 256 B D S S- 0 0 46 -103,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.932 130.8 -32.7 -68.1 -46.9 9.2 -15.0 -3.3 580 257 B Y - 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0 0 3 -171,-0.3 3,-1.5 1,-0.2 -2,-0.1 -0.365 64.5-146.0 -63.9 129.6 7.5 3.1 16.8 627 304 B P T 3 S+ 0 0 77 0, 0.0 -1,-0.2 0, 0.0 -185,-0.0 0.724 97.3 70.6 -63.9 -19.4 3.8 3.7 16.1 628 305 B E T 3 S+ 0 0 108 2,-0.0 2,-0.5 0, 0.0 -2,-0.1 0.603 87.7 75.9 -69.4 -13.9 4.7 7.4 16.7 629 306 B V < - 0 0 10 -3,-1.5 2,-0.3 2,-0.0 -18,-0.0 -0.883 61.6-177.0-108.5 130.9 6.6 7.5 13.4 630 307 B A + 0 0 96 -2,-0.5 2,-0.3 6,-0.1 3,-0.1 -0.864 33.1 79.2-123.8 157.1 4.9 7.7 10.0 631 308 B G S S- 0 0 44 -2,-0.3 6,-0.3 1,-0.1 3,-0.2 -0.814 90.6 -59.5 134.4-174.1 6.3 7.6 6.5 632 309 B E S S+ 0 0 136 -2,-0.3 2,-2.0 1,-0.2 6,-0.3 0.876 118.9 67.6 -73.3 -41.9 7.7 5.0 4.1 633 310 B N S S+ 0 0 58 -3,-0.1 -9,-2.2 4,-0.1 2,-0.3 -0.408 82.6 102.6 -81.9 63.2 10.5 3.8 6.3 634 311 B T B > S-a 624 0I 3 -2,-2.0 4,-2.6 -11,-0.3 5,-0.2 -0.978 78.6-122.4-140.4 152.3 8.3 2.2 8.9 635 312 B A H > S+ 0 0 4 -11,-2.9 4,-2.5 -2,-0.3 5,-0.2 0.913 113.8 56.0 -54.7 -45.8 7.2 -1.4 9.8 636 313 B N H > S+ 0 0 100 -12,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.904 112.0 39.8 -55.8 -47.0 3.6 -0.3 9.4 637 314 B T H > S+ 0 0 32 -6,-0.3 4,-3.2 2,-0.2 5,-0.3 0.945 113.9 52.7 -72.8 -47.8 4.1 1.0 5.8 638 315 B M H X S+ 0 0 18 -4,-2.6 4,-2.8 -6,-0.3 5,-0.4 0.896 113.2 45.2 -52.3 -43.6 6.4 -1.8 4.7 639 316 B Q H X S+ 0 0 83 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.880 112.5 51.1 -69.9 -37.8 3.8 -4.3 5.9 640 317 B A H < S+ 0 0 87 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.927 119.3 36.8 -61.8 -47.7 0.9 -2.4 4.3 641 318 B I H < S+ 0 0 95 -4,-3.2 -2,-0.2 1,-0.1 -3,-0.2 0.895 128.6 30.2 -75.0 -43.8 2.7 -2.3 0.9 642 319 B H H >< S+ 0 0 62 -4,-2.8 3,-1.7 -5,-0.3 -3,-0.2 0.705 80.4 172.0 -98.2 -22.0 4.4 -5.7 0.9 643 320 B G G >< + 0 0 41 -4,-1.9 3,-1.5 -5,-0.4 -1,-0.2 -0.209 67.5 5.1 56.5-130.4 2.0 -7.8 2.9 644 321 B A G 3 S+ 0 0 88 1,-0.3 -1,-0.2 3,-0.1 -2,-0.0 0.541 114.8 78.5 -72.8 -9.7 2.7 -11.6 2.9 645 322 B Q G < S+ 0 0 41 -3,-1.7 -64,-2.9 -65,-0.1 -1,-0.3 0.827 83.1 79.9 -62.3 -34.3 5.9 -11.3 1.0 646 323 B L E < -c 581 0J 10 -3,-1.5 -64,-0.2 -66,-0.2 -7,-0.0 -0.557 61.5-166.8 -79.1 143.5 7.5 -10.2 4.3 647 324 B R E -c 582 0J 73 -66,-2.8 -64,-1.7 -2,-0.2 -3,-0.1 -0.695 15.7-176.6-132.4 76.2 8.6 -12.8 6.9 648 325 B P E -c 583 0J 41 0, 0.0 -64,-0.2 0, 0.0 -191,-0.0 -0.264 23.5-125.4 -73.7 161.2 9.3 -11.0 10.2 649 326 B V - 0 0 0 -66,-0.8 2,-0.2 -2,-0.0 -2,-0.0 -0.935 21.5-140.2-108.4 122.5 10.6 -12.6 13.4 650 327 B P - 0 0 46 0, 0.0 -204,-0.2 0, 0.0 7,-0.1 -0.614 12.6-168.0 -81.7 147.0 8.5 -12.0 16.6 651 328 B V S > S+ 0 0 0 -206,-2.4 3,-2.3 -2,-0.2 -205,-0.2 0.740 73.5 77.8 -95.3 -38.0 10.3 -11.4 20.0 652 329 B S T 3 S+ 0 0 55 -207,-1.6 -203,-0.2 1,-0.3 3,-0.1 0.750 88.4 55.7 -55.6 -32.3 7.3 -11.8 22.3 653 330 B P T > S- 0 0 61 0, 0.0 3,-0.6 0, 0.0 -1,-0.3 0.726 100.9-156.1 -72.0 -18.4 7.1 -15.6 22.2 654 331 B G G X - 0 0 0 -3,-2.3 3,-1.8 1,-0.2 4,-0.3 -0.490 49.2 -6.5 87.0-146.7 10.8 -15.6 23.4 655 332 B L G > S+ 0 0 46 1,-0.3 3,-1.5 -232,-0.2 -1,-0.2 0.703 117.8 72.9 -69.5 -20.9 13.4 -18.2 23.0 656 333 B M G < S+ 0 0 164 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.623 84.6 69.6 -68.1 -15.5 11.1 -20.9 21.5 657 334 B V G < S+ 0 0 26 -3,-1.8 -1,-0.3 -6,-0.1 -2,-0.2 0.777 99.7 61.8 -63.3 -28.2 11.0 -18.9 18.2 658 335 B Y S < S- 0 0 25 -3,-1.5 2,-0.3 -4,-0.3 -149,-0.0 -0.500 91.7 -94.8-110.2 162.7 14.7 -19.8 17.6 659 336 B L - 0 0 52 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.620 43.7-123.1 -74.2 132.8 16.9 -22.8 17.1 660 337 B D > - 0 0 73 -2,-0.3 4,-2.5 -4,-0.1 5,-0.2 -0.210 34.7 -89.2 -67.3 165.6 18.5 -24.2 20.3 661 338 B Q H > S+ 0 0 127 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.804 125.1 45.0 -43.3 -47.4 22.4 -24.6 20.7 662 339 B V H > S+ 0 0 86 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.928 114.0 46.6 -74.9 -45.3 22.5 -28.1 19.3 663 340 B K H > S+ 0 0 115 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.828 110.5 56.7 -62.5 -31.0 20.3 -27.5 16.2 664 341 B R H X S+ 0 0 47 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.960 108.7 45.2 -62.2 -49.6 22.3 -24.3 15.6 665 342 B S H X S+ 0 0 68 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.871 112.1 52.2 -61.6 -38.8 25.5 -26.3 15.4 666 343 B R H X S+ 0 0 152 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.903 108.8 49.4 -64.6 -43.3 23.8 -28.9 13.2 667 344 B L H X S+ 0 0 7 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.881 109.1 52.9 -64.9 -40.1 22.6 -26.3 10.7 668 345 B I H X S+ 0 0 26 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.898 110.4 46.8 -61.7 -41.1 26.0 -24.7 10.5 669 346 B E H X S+ 0 0 114 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.924 112.5 50.0 -68.7 -40.7 27.6 -28.1 9.7 670 347 B R H X S+ 0 0 131 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.874 110.6 50.3 -62.1 -38.8 25.0 -28.9 7.1 671 348 B W H X S+ 0 0 4 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.895 110.3 48.4 -66.8 -41.5 25.5 -25.4 5.5 672 349 B N H X S+ 0 0 22 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.876 112.4 52.0 -64.8 -34.9 29.3 -25.9 5.3 673 350 B E H < S+ 0 0 139 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.945 107.6 48.9 -64.1 -53.8 28.5 -29.3 3.8 674 351 B A H < S+ 0 0 15 -4,-2.6 -1,-0.2 1,-0.2 -145,-0.2 0.728 117.2 44.3 -57.9 -25.0 26.2 -28.0 1.1 675 352 B L H < 0 0 29 -4,-1.2 -2,-0.2 -5,-0.1 -1,-0.2 0.861 360.0 360.0 -88.8 -41.6 28.9 -25.3 0.2 676 353 B R < 0 0 215 -4,-2.2 -147,-0.1 -5,-0.1 -146,-0.1 -0.198 360.0 360.0 -52.8 360.0 32.1 -27.5 0.2