==== 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 TRANSCRIPTION REGULATOR 19-MAR-08 3CLO . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON VPI-5482; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 773 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35695.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 543 70.2 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 . 147 19.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 256 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.5 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 10 1 0 1 4 2 3 1 2 0 2 1 1 1 2 2 0 0 0 0 0 0 0 0 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 . 3 2 0 6 0 6 0 3 3 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 1 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 0 A G 0 0 85 0, 0.0 88,-0.0 0, 0.0 87,-0.0 0.000 360.0 360.0 360.0 148.8 -5.9 44.2 29.2 2 1 A X + 0 0 39 87,-0.1 2,-0.3 245,-0.0 239,-0.2 -0.236 360.0 148.5 -59.0 144.3 -5.5 42.9 32.7 3 2 A D - 0 0 15 237,-1.5 2,-0.3 97,-0.0 94,-0.1 -0.971 32.6-130.3-163.9 169.7 -2.8 44.5 34.8 4 3 A V S S+ 0 0 0 -2,-0.3 236,-0.1 92,-0.1 235,-0.1 -0.914 75.1 15.1-130.3 157.4 -1.9 45.5 38.4 5 4 A L S > S+ 0 0 19 234,-0.5 4,-2.4 -2,-0.3 5,-0.2 0.602 71.0 134.9 64.6 19.4 -0.6 48.6 40.2 6 5 A Q H > S+ 0 0 35 233,-0.3 4,-2.3 1,-0.2 5,-0.1 0.919 75.4 45.1 -67.8 -40.4 -1.3 51.0 37.3 7 6 A K H > S+ 0 0 121 231,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.935 114.5 48.7 -64.0 -47.8 -2.8 53.6 39.6 8 7 A E H > S+ 0 0 43 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.873 112.6 47.5 -61.5 -40.0 0.0 53.2 42.2 9 8 A I H >X S+ 0 0 3 -4,-2.4 4,-2.3 2,-0.2 3,-0.5 0.937 110.0 52.4 -69.1 -45.3 2.8 53.5 39.6 10 9 A D H 3X S+ 0 0 72 -4,-2.3 4,-2.0 1,-0.3 -1,-0.2 0.806 106.4 55.1 -57.5 -35.6 1.1 56.6 38.0 11 10 A E H 3X S+ 0 0 104 -4,-1.8 4,-0.6 2,-0.2 -1,-0.3 0.838 105.9 51.2 -65.7 -36.1 1.1 58.2 41.5 12 11 A V H X< S+ 0 0 13 -4,-1.2 3,-1.3 -3,-0.5 4,-0.3 0.953 111.1 48.0 -64.1 -47.9 4.8 57.6 41.8 13 12 A Y H >< S+ 0 0 16 -4,-2.3 3,-1.9 1,-0.3 -2,-0.2 0.876 105.1 59.5 -56.5 -42.5 5.3 59.3 38.4 14 13 A A H 3< S+ 0 0 61 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.662 89.1 72.3 -63.2 -19.7 3.1 62.2 39.5 15 14 A T T << S+ 0 0 90 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.610 97.1 53.8 -70.8 -12.4 5.5 62.9 42.4 16 15 A H S < S- 0 0 16 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.1 -0.566 77.8-177.4-119.8 65.6 7.9 64.3 39.7 17 16 A P + 0 0 82 0, 0.0 35,-0.1 0, 0.0 -3,-0.1 -0.354 12.2 174.3 -64.5 144.0 6.0 66.9 37.8 18 17 A T > + 0 0 10 33,-0.2 3,-1.6 34,-0.1 5,-0.1 0.183 44.9 109.7-134.5 12.2 7.8 68.5 34.9 19 18 A A T 3 S+ 0 0 101 1,-0.3 33,-0.0 3,-0.1 -1,-0.0 0.842 78.6 58.1 -62.7 -32.8 5.2 70.7 33.2 20 19 A H T 3 S+ 0 0 140 2,-0.1 2,-0.3 0, 0.0 -1,-0.3 0.551 94.2 86.8 -72.0 -11.3 7.0 73.8 34.5 21 20 A E < - 0 0 33 -3,-1.6 2,-0.8 31,-0.0 -3,-0.1 -0.747 67.7-146.1 -98.2 140.0 10.2 72.8 32.6 22 21 A A - 0 0 105 -2,-0.3 2,-0.2 2,-0.0 -3,-0.1 -0.901 32.1-162.1-101.1 103.8 11.2 73.6 29.0 23 22 A L - 0 0 44 -2,-0.8 2,-0.6 -5,-0.1 3,-0.0 -0.628 20.8-114.0 -98.2 148.2 13.1 70.5 28.1 24 23 A D >> - 0 0 104 -2,-0.2 3,-1.0 1,-0.2 4,-0.6 -0.681 17.9-161.9 -81.2 113.9 15.5 69.9 25.2 25 24 A N H 3> S+ 0 0 65 -2,-0.6 4,-2.0 1,-0.2 3,-0.3 0.758 85.0 74.5 -66.2 -25.7 14.1 67.4 22.8 26 25 A G H 3> S+ 0 0 30 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.820 91.1 57.5 -55.2 -32.3 17.6 66.8 21.3 27 26 A I H <> S+ 0 0 54 -3,-1.0 4,-1.6 2,-0.2 -1,-0.2 0.921 106.1 47.4 -64.2 -43.6 18.3 64.8 24.5 28 27 A V H X S+ 0 0 1 -4,-0.6 4,-2.0 -3,-0.3 -2,-0.2 0.879 108.8 56.1 -64.8 -38.8 15.4 62.5 23.8 29 28 A E H X S+ 0 0 11 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.868 104.6 51.0 -62.3 -43.1 16.5 62.0 20.2 30 29 A Q H X S+ 0 0 123 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.902 110.1 49.8 -62.7 -42.4 20.0 60.9 21.2 31 30 A H H X S+ 0 0 35 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.886 109.2 53.0 -63.2 -38.9 18.6 58.3 23.5 32 31 A Q H X S+ 0 0 37 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.910 108.3 49.2 -63.4 -43.6 16.3 57.0 20.8 33 32 A Q H X S+ 0 0 72 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.897 112.3 49.5 -62.3 -40.4 19.2 56.6 18.3 34 33 A F H X S+ 0 0 21 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.931 108.2 51.9 -60.5 -49.0 21.1 54.7 21.0 35 34 A V H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.832 109.0 51.2 -63.3 -32.2 18.1 52.4 21.8 36 35 A R H X S+ 0 0 98 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.927 109.8 49.2 -68.1 -45.1 17.8 51.5 18.1 37 36 A S H < S+ 0 0 50 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.833 110.4 52.8 -61.6 -35.6 21.5 50.6 17.9 38 37 A L H >X S+ 0 0 10 -4,-2.2 4,-2.4 1,-0.2 3,-1.9 0.916 104.7 52.4 -67.0 -44.7 21.2 48.5 21.0 39 38 A T H 3X S+ 0 0 2 -4,-1.9 4,-1.6 1,-0.3 5,-0.3 0.814 101.8 62.3 -64.4 -26.6 18.2 46.4 19.6 40 39 A E H 3< S+ 0 0 120 -4,-1.3 -1,-0.3 2,-0.2 -2,-0.2 0.553 110.6 39.9 -74.5 -7.4 20.4 45.7 16.5 41 40 A V H <4 S+ 0 0 20 -3,-1.9 -2,-0.2 -4,-0.1 -1,-0.2 0.781 123.9 34.6-103.6 -47.4 22.8 44.0 18.8 42 41 A N H < S- 0 0 9 -4,-2.4 121,-0.4 119,-0.0 -2,-0.2 0.475 94.6-133.7 -89.5 -0.9 20.4 42.1 21.2 43 42 A G S < S+ 0 0 1 -4,-1.6 -3,-0.1 -5,-0.3 -4,-0.1 0.723 70.4 104.0 57.5 28.0 17.7 41.4 18.6 44 43 A G S S- 0 0 0 -5,-0.3 17,-2.7 -6,-0.2 2,-0.4 0.108 71.8 -76.2-116.2-142.6 15.1 42.6 21.1 45 44 A C E -AB 60 161A 0 116,-2.1 116,-2.1 15,-0.2 2,-0.4 -0.999 27.1-166.4-139.9 131.2 12.8 45.4 22.1 46 45 A A E -AB 59 160A 0 13,-2.2 13,-3.0 -2,-0.4 2,-0.4 -0.948 1.7-169.4-119.6 135.2 13.4 48.8 23.8 47 46 A V E -AB 58 159A 1 112,-2.3 112,-2.7 -2,-0.4 2,-0.6 -0.998 3.3-165.3-122.9 126.9 10.7 51.1 25.3 48 47 A I E -AB 57 158A 1 9,-2.0 9,-2.3 -2,-0.4 2,-0.6 -0.966 8.6-157.0-110.8 112.6 11.5 54.7 26.4 49 48 A S E -AB 56 157A 4 108,-2.6 108,-2.5 -2,-0.6 2,-0.8 -0.831 3.1-156.1 -88.8 122.7 8.8 56.2 28.6 50 49 A D E >> -AB 55 156A 2 5,-2.9 4,-1.2 -2,-0.6 5,-0.8 -0.879 7.0-169.9-100.0 104.7 8.9 60.0 28.6 51 50 A L T 45S+ 0 0 8 104,-2.3 -33,-0.2 -2,-0.8 -1,-0.1 0.666 80.6 67.3 -68.1 -17.6 7.3 61.3 31.8 52 51 A S T 45S+ 0 0 47 103,-0.6 -1,-0.2 1,-0.2 -34,-0.1 0.874 122.0 12.3 -74.1 -37.4 7.3 64.8 30.4 53 52 A N T 45S- 0 0 70 -3,-0.5 -2,-0.2 2,-0.2 -1,-0.2 0.313 98.9-121.4-118.7 6.1 4.7 64.2 27.7 54 53 A R T <5 + 0 0 92 -4,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.788 68.9 130.7 54.6 32.7 3.4 60.7 28.8 55 54 A K E < -A 50 0A 43 -5,-0.8 -5,-2.9 27,-0.1 2,-0.4 -0.769 46.3-146.8-107.2 157.9 4.5 59.1 25.5 56 55 A S E -AC 49 79A 0 23,-2.2 23,-2.7 -2,-0.3 2,-0.6 -0.972 3.8-148.3-123.3 141.5 6.5 55.9 24.9 57 56 A Y E -AC 48 78A 21 -9,-2.3 -9,-2.0 -2,-0.4 2,-0.5 -0.947 20.4-165.3-111.7 111.8 8.9 55.3 22.1 58 57 A V E -A 47 0A 6 -2,-0.6 2,-0.5 19,-0.6 -11,-0.2 -0.860 9.7-173.1-105.0 126.5 8.9 51.6 21.2 59 58 A T E -A 46 0A 32 -13,-3.0 -13,-2.2 -2,-0.5 2,-0.5 -0.988 2.6-176.0-118.0 123.9 11.6 49.9 19.0 60 59 A V E -A 45 0A 29 -2,-0.5 -15,-0.2 14,-0.4 -16,-0.1 -0.987 18.4-140.7-119.5 120.6 11.1 46.3 18.0 61 60 A H > - 0 0 25 -17,-2.7 3,-2.1 -2,-0.5 -21,-0.0 -0.513 22.7-116.5 -76.2 147.3 13.9 44.6 16.1 62 61 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -22,-0.0 0.752 115.0 55.7 -52.8 -28.3 12.9 42.2 13.2 63 62 A W T 3 S+ 0 0 44 1,-0.2 2,-2.0 -19,-0.1 3,-0.4 0.477 76.5 102.1 -85.1 -1.7 14.5 39.2 15.1 64 63 A A X + 0 0 6 -3,-2.1 3,-1.5 -20,-0.3 5,-0.4 -0.249 34.8 139.0 -80.6 53.1 12.4 39.8 18.2 65 64 A N G > + 0 0 42 -2,-2.0 3,-1.3 374,-0.3 67,-0.9 0.715 55.6 77.8 -71.0 -20.8 10.0 36.9 17.3 66 65 A F G 3 S+ 0 0 6 -3,-0.4 -1,-0.3 373,-0.3 71,-0.2 0.631 84.4 66.0 -60.9 -16.0 10.0 35.9 21.0 67 66 A L G < S- 0 0 1 -3,-1.5 -1,-0.2 94,-0.1 63,-0.2 0.778 94.4-142.9 -77.4 -29.2 7.6 38.9 21.5 68 67 A G < + 0 0 9 -3,-1.3 -3,-0.1 -4,-0.3 -2,-0.1 0.688 41.6 158.5 74.3 18.5 4.8 37.2 19.4 69 68 A L - 0 0 16 -5,-0.4 -1,-0.2 1,-0.1 -2,-0.1 -0.267 40.3-121.6 -69.7 158.1 3.7 40.5 17.9 70 69 A T > - 0 0 71 1,-0.1 4,-1.2 62,-0.0 3,-0.3 -0.621 35.2 -97.9 -91.5 160.8 1.8 40.8 14.7 71 70 A P H >> S+ 0 0 120 0, 0.0 4,-1.8 0, 0.0 3,-0.7 0.879 124.2 49.0 -43.7 -49.7 3.3 42.8 11.7 72 71 A E H 3> S+ 0 0 76 1,-0.2 4,-0.6 2,-0.2 -3,-0.0 0.891 108.6 53.0 -59.7 -42.5 1.1 45.9 12.6 73 72 A E H 34 S+ 0 0 67 -3,-0.3 -1,-0.2 1,-0.2 13,-0.1 0.653 109.1 49.3 -69.2 -22.9 2.1 45.9 16.3 74 73 A A H << S+ 0 0 38 -4,-1.2 -14,-0.4 -3,-0.7 -1,-0.2 0.831 97.7 68.0 -83.2 -40.9 5.8 45.8 15.4 75 74 A A H < S+ 0 0 82 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.717 77.9 110.6 -46.6 -31.5 5.5 48.8 13.0 76 75 A L < + 0 0 78 -4,-0.6 -16,-0.3 1,-0.1 3,-0.1 -0.232 31.7 161.1 -52.9 134.6 4.7 51.0 16.1 77 76 A S + 0 0 82 1,-0.2 -19,-0.6 -18,-0.1 2,-0.4 0.539 68.7 37.8-127.6 -30.1 7.5 53.5 17.0 78 77 A V E -C 57 0A 78 -21,-0.2 -21,-0.2 -23,-0.0 -1,-0.2 -0.932 69.4-167.1-128.8 106.5 5.6 56.1 19.2 79 78 A I E -C 56 0A 21 -23,-2.7 -23,-2.2 -2,-0.4 5,-0.1 -0.622 22.8-134.3 -85.4 152.1 3.0 54.8 21.6 80 79 A D S S+ 0 0 104 -2,-0.2 2,-0.2 -25,-0.2 -1,-0.1 0.074 80.6 67.2 -97.3 24.4 0.7 57.3 23.2 81 80 A S S S- 0 0 35 -25,-0.1 -2,-0.1 0, 0.0 3,-0.1 -0.697 92.7-105.1-129.8 178.6 1.1 55.8 26.8 82 81 A X S S+ 0 0 12 -2,-0.2 2,-0.3 1,-0.2 -27,-0.1 0.412 111.0 24.1 -84.7 0.9 3.8 55.3 29.5 83 82 A D S S- 0 0 35 -27,-0.1 2,-0.8 -35,-0.0 -1,-0.2 -0.955 86.9-112.4-163.8 139.2 3.9 51.7 28.4 84 83 A E >> - 0 0 1 -2,-0.3 3,-1.8 1,-0.1 4,-1.1 -0.736 22.6-155.3 -84.6 111.0 3.1 49.8 25.1 85 84 A D H 3> S+ 0 0 64 -2,-0.8 4,-1.4 1,-0.3 -1,-0.1 0.717 86.9 65.7 -57.1 -28.2 0.0 47.5 25.8 86 85 A C H 34 S+ 0 0 18 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.705 101.9 50.2 -72.3 -18.0 0.8 45.0 23.0 87 86 A I H X4 S+ 0 0 1 -3,-1.8 3,-1.6 2,-0.1 4,-0.3 0.918 107.9 50.3 -82.0 -49.1 4.0 44.0 24.8 88 87 A Y H >< S+ 0 0 20 -4,-1.1 3,-1.2 1,-0.3 -2,-0.2 0.775 99.4 65.3 -61.3 -30.4 2.5 43.3 28.3 89 88 A R T 3< S+ 0 0 122 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.1 0.727 97.6 56.6 -64.0 -22.9 -0.3 41.2 26.9 90 89 A R T < S+ 0 0 62 -3,-1.6 40,-2.3 -4,-0.2 2,-0.3 0.544 86.0 99.2 -85.9 -12.7 2.4 38.6 25.9 91 90 A I B < S-D 129 0A 4 -3,-1.2 38,-0.2 -4,-0.3 5,-0.1 -0.582 90.8-100.5 -78.2 136.7 3.8 38.3 29.4 92 91 A H > - 0 0 27 36,-2.4 4,-2.1 -2,-0.3 3,-0.3 -0.367 35.9-124.4 -52.5 132.4 2.6 35.3 31.4 93 92 A P H > S+ 0 0 24 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.785 108.8 48.7 -57.8 -33.4 -0.1 36.7 33.8 94 93 A E H > S+ 0 0 63 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.872 111.8 49.2 -73.0 -37.0 1.6 35.5 37.0 95 94 A D H > S+ 0 0 7 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.843 104.5 61.1 -69.3 -32.6 4.9 36.9 35.9 96 95 A L H X S+ 0 0 6 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.888 100.3 53.5 -60.1 -41.1 3.2 40.2 35.0 97 96 A V H X S+ 0 0 0 -4,-1.2 4,-1.7 1,-0.2 -1,-0.2 0.938 112.1 44.0 -60.5 -47.4 2.1 40.7 38.7 98 97 A E H X S+ 0 0 33 -4,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.862 109.7 56.7 -65.7 -38.3 5.7 40.2 39.9 99 98 A K H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.921 109.2 45.8 -58.0 -46.3 7.1 42.5 37.2 100 99 A R H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.860 110.4 53.6 -64.8 -37.9 4.8 45.4 38.3 101 100 A L H X S+ 0 0 9 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.910 110.2 47.4 -64.5 -41.9 5.7 44.8 41.9 102 101 A X H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.951 113.7 47.9 -62.5 -47.8 9.4 45.1 41.0 103 102 A E H X S+ 0 0 9 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.884 111.0 50.9 -58.3 -42.3 8.7 48.3 39.0 104 103 A Y H X S+ 0 0 56 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.943 114.4 42.7 -65.1 -46.0 6.7 49.8 41.8 105 104 A K H X S+ 0 0 67 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.904 114.8 51.9 -65.9 -40.0 9.4 49.1 44.3 106 105 A F H X S+ 0 0 0 -4,-3.1 4,-2.8 2,-0.2 -2,-0.2 0.942 113.4 42.5 -61.3 -52.1 12.1 50.2 41.9 107 106 A F H X S+ 0 0 3 -4,-3.1 4,-2.8 2,-0.2 5,-0.2 0.894 111.9 53.6 -62.6 -44.3 10.4 53.6 41.1 108 107 A Q H < S+ 0 0 94 -4,-2.4 4,-0.4 -5,-0.3 -1,-0.2 0.935 114.5 42.9 -56.9 -44.2 9.5 54.3 44.8 109 108 A K H >< S+ 0 0 78 -4,-2.2 3,-0.9 -5,-0.2 4,-0.2 0.959 118.9 42.0 -64.4 -52.0 13.2 53.8 45.7 110 109 A T H >< S+ 0 0 0 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.861 107.8 58.8 -69.0 -35.6 14.7 55.7 42.8 111 110 A F T 3< S+ 0 0 16 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.579 105.5 52.0 -72.1 -10.0 12.1 58.7 42.8 112 111 A S T < S+ 0 0 112 -3,-0.9 -1,-0.3 -4,-0.4 2,-0.2 0.406 99.5 82.5-103.9 -3.7 13.1 59.4 46.4 113 112 A X S < S- 0 0 48 -3,-1.4 -3,-0.0 -4,-0.2 -4,-0.0 -0.604 90.8 -84.2-100.3 165.6 16.9 59.6 45.7 114 113 A S > - 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0 0 25 -13,-2.4 2,-0.6 -2,-0.5 -13,-0.2 -0.691 2.5-150.5 -89.9 140.4 27.3 24.0 25.8 448 188 B S + 0 0 103 -2,-0.3 4,-0.2 1,-0.1 3,-0.2 -0.966 23.7 170.3-109.6 107.5 28.7 21.1 27.9 449 189 B L >> + 0 0 8 -2,-0.6 4,-2.1 1,-0.1 3,-0.5 0.600 44.9 98.2-101.9 -11.8 32.3 22.0 28.3 450 190 B S H 3> S+ 0 0 72 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.806 85.0 47.4 -45.2 -46.3 33.6 19.4 30.9 451 191 B E H 34 S+ 0 0 138 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.871 112.9 46.7 -71.2 -37.9 35.0 17.0 28.4 452 192 B E H <4 S+ 0 0 65 -3,-0.5 3,-0.4 -4,-0.2 -1,-0.2 0.824 111.2 54.4 -70.7 -32.3 37.0 19.5 26.4 453 193 B H H >< S+ 0 0 21 -4,-2.1 3,-1.8 1,-0.2 4,-0.4 0.941 105.1 51.6 -62.8 -52.8 38.3 21.1 29.6 454 194 B R T 3< S+ 0 0 151 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.588 112.6 50.8 -58.4 -13.7 39.6 17.7 30.8 455 195 B N T 3 S+ 0 0 89 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.2 0.211 71.6 100.9-116.4 14.7 41.4 17.5 27.4 456 196 B I S < S+ 0 0 15 -3,-1.8 2,-0.4 1,-0.1 -2,-0.1 0.916 95.2 38.2 -61.3 -42.5 43.2 20.9 27.2 457 197 B L S S- 0 0 1 -4,-0.4 -1,-0.1 59,-0.3 2,-0.0 -0.876 95.3-121.5-105.1 141.3 46.2 18.9 28.2 458 198 B S > - 0 0 50 -2,-0.4 4,-2.3 1,-0.1 5,-0.1 -0.311 31.2-106.4 -68.8 166.0 46.8 15.4 26.9 459 199 B E H > S+ 0 0 106 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.846 122.5 51.2 -66.7 -34.3 47.2 12.6 29.4 460 200 B R H > S+ 0 0 81 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.901 109.0 50.4 -67.2 -43.4 50.9 12.4 28.8 461 201 B E H > S+ 0 0 11 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.902 109.8 51.6 -60.9 -41.4 51.2 16.2 29.4 462 202 B K H X S+ 0 0 10 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.894 109.1 50.1 -61.5 -42.6 49.3 15.8 32.6 463 203 B E H X S+ 0 0 72 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.899 110.6 49.6 -61.7 -44.9 51.6 13.0 33.8 464 204 B I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.913 111.1 48.9 -61.1 -45.8 54.7 15.1 33.1 465 205 B L H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.858 108.9 52.7 -63.8 -37.4 53.2 18.1 35.0 466 206 B R H X S+ 0 0 85 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.892 111.1 48.2 -65.7 -37.3 52.4 15.9 38.0 467 207 B C H X>S+ 0 0 16 -4,-2.1 5,-2.2 2,-0.2 4,-1.3 0.928 111.3 49.5 -63.8 -46.9 56.0 14.7 38.0 468 208 B I H ><5S+ 0 0 26 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.927 112.1 48.4 -58.7 -47.3 57.3 18.3 37.8 469 209 B R H 3<5S+ 0 0 138 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.851 108.7 53.9 -58.8 -39.1 55.0 19.3 40.6 470 210 B K H 3<5S- 0 0 173 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.710 124.1-105.0 -69.4 -25.0 56.2 16.3 42.7 471 211 B G T <<5 + 0 0 58 -4,-1.3 -3,-0.2 -3,-0.6 -2,-0.1 0.536 65.2 150.5 112.7 11.8 59.8 17.4 42.2 472 212 B L < - 0 0 37 -5,-2.2 -1,-0.2 1,-0.1 2,-0.2 -0.388 39.1-129.4 -74.1 152.4 61.3 15.0 39.6 473 213 B S > - 0 0 53 -2,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.450 32.3 -99.4 -89.3 167.9 64.0 16.1 37.2 474 214 B S H > S+ 0 0 26 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.954 127.5 51.8 -52.2 -47.4 63.8 15.6 33.4 475 215 B K H > S+ 0 0 165 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.885 111.0 46.3 -59.4 -42.5 66.0 12.5 33.9 476 216 B E H > S+ 0 0 104 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.878 112.0 51.1 -66.0 -38.8 63.7 11.1 36.7 477 217 B I H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.931 110.0 49.6 -63.6 -43.9 60.6 11.8 34.5 478 218 B A H X>S+ 0 0 12 -4,-2.7 5,-1.7 -5,-0.2 4,-0.7 0.903 112.6 48.8 -62.0 -41.7 62.2 10.0 31.6 479 219 B A H <5S+ 0 0 68 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.887 115.7 41.6 -62.1 -47.1 63.1 7.0 33.9 480 220 B T H <5S+ 0 0 80 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.827 121.3 39.1 -77.5 -30.6 59.6 6.7 35.4 481 221 B L H <5S- 0 0 26 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.366 105.5-123.0 -99.2 2.2 57.5 7.2 32.1 482 222 B Y T <5S+ 0 0 212 -4,-0.7 2,-0.3 1,-0.2 -3,-0.2 0.931 71.3 115.1 56.3 52.4 59.9 5.2 29.9 483 223 B I < - 0 0 39 -5,-1.7 -1,-0.2 -6,-0.2 2,-0.1 -0.892 68.8 -86.4-139.5 169.4 60.6 8.0 27.5 484 224 B S > - 0 0 57 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.461 27.4-122.0 -80.3 153.6 63.7 10.1 26.5 485 225 B V H > S+ 0 0 62 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.857 117.1 57.1 -59.1 -34.4 64.9 13.3 28.2 486 226 B N H > S+ 0 0 75 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.948 108.0 46.2 -59.2 -49.9 64.5 14.9 24.7 487 227 B T H > S+ 0 0 30 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.888 109.9 53.2 -61.8 -42.9 60.8 13.9 24.7 488 228 B V H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.948 111.2 46.6 -56.5 -47.3 60.2 15.0 28.2 489 229 B N H X S+ 0 0 68 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.777 108.4 56.1 -70.1 -25.0 61.6 18.5 27.3 490 230 B R H X S+ 0 0 136 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.895 110.9 44.0 -69.2 -43.5 59.5 18.5 24.1 491 231 B H H X S+ 0 0 18 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.910 110.4 55.2 -65.7 -45.8 56.4 18.0 26.2 492 232 B R H X S+ 0 0 51 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.927 109.6 46.5 -52.2 -48.5 57.5 20.6 28.8 493 233 B Q H X S+ 0 0 97 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.828 110.9 52.6 -66.7 -34.5 57.9 23.2 26.1 494 234 B N H X S+ 0 0 62 -4,-1.5 4,-2.9 2,-0.2 -1,-0.2 0.912 108.3 51.1 -64.0 -45.9 54.5 22.4 24.6 495 235 B I H X S+ 0 0 1 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.884 106.5 54.0 -58.3 -43.0 52.8 22.8 28.0 496 236 B L H <>S+ 0 0 19 -4,-1.9 5,-2.1 -5,-0.2 4,-0.3 0.913 113.3 43.5 -59.9 -40.8 54.4 26.2 28.4 497 237 B E H ><5S+ 0 0 120 -4,-1.6 3,-1.0 3,-0.2 -2,-0.2 0.925 111.7 52.6 -69.7 -45.9 53.0 27.3 25.1 498 238 B K H 3<5S+ 0 0 71 -4,-2.9 -234,-0.5 1,-0.3 -233,-0.3 0.784 118.1 36.9 -60.6 -31.2 49.5 25.7 25.7 499 239 B L T 3<5S- 0 0 0 -4,-1.9 -237,-1.6 -5,-0.2 -1,-0.3 0.319 106.1-125.6-105.8 4.7 49.1 27.5 29.0 500 240 B S T < 5 + 0 0 31 -3,-1.0 2,-0.3 -4,-0.3 -3,-0.2 0.878 64.5 133.0 50.9 46.0 50.8 30.7 27.9 501 241 B V < - 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