==== 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 GENE REGULATION 12-JAN-10 3LCZ . COMPND 2 MOLECULE: INHIBITOR OF TRAP, REGULATED BY T-BOX (TRP) SEQUE . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LICHENIFORMIS; . AUTHOR M.B.SHEVTSOV,Y.CHEN,P.GOLLNICK,A.A.ANTSON . 212 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12569.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 54.7 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 . 28 13.2 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 . 4 1.9 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 . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 3 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 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 . 0 4 4 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 . 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 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 M 0 0 117 0, 0.0 3,-0.2 0, 0.0 60,-0.0 0.000 360.0 360.0 360.0 157.2 -0.7 52.8 -5.6 2 2 A V + 0 0 77 1,-0.3 2,-0.5 54,-0.1 108,-0.1 0.863 360.0 24.4 -66.1 -40.0 1.5 55.8 -6.0 3 3 A I S S- 0 0 4 107,-0.0 -1,-0.3 36,-0.0 2,-0.2 -0.933 79.0-178.2-131.8 106.2 4.6 53.9 -7.2 4 4 A A >> - 0 0 33 -2,-0.5 3,-1.4 -3,-0.2 4,-0.6 -0.497 44.4 -94.9 -97.5 175.5 4.0 50.6 -8.7 5 5 A T H >> S+ 0 0 53 1,-0.3 3,-2.1 2,-0.2 4,-1.7 0.917 124.9 55.2 -56.2 -48.0 6.5 48.1 -10.0 6 6 A D H 34 S+ 0 0 102 1,-0.3 194,-0.5 2,-0.2 195,-0.3 0.631 102.2 58.6 -62.2 -18.5 6.2 49.4 -13.6 7 7 A D H <4 S+ 0 0 60 -3,-1.4 33,-0.4 1,-0.1 32,-0.3 0.660 111.9 42.4 -79.6 -17.2 7.1 52.8 -12.2 8 8 A L H << S+ 0 0 0 -3,-2.1 29,-2.1 -4,-0.6 2,-0.3 0.687 124.7 2.1-102.2 -29.9 10.4 51.3 -10.9 9 9 A E E < -A 36 0A 7 -4,-1.7 2,-0.3 27,-0.3 -1,-0.3 -0.981 58.1-148.5-158.0 158.6 11.7 49.1 -13.6 10 10 A T E -A 35 0A 17 25,-2.4 25,-2.8 -2,-0.3 7,-0.1 -0.977 41.6 -79.0-137.7 148.7 10.8 48.0 -17.1 11 11 A T E -A 34 0A 76 -2,-0.3 23,-0.3 23,-0.2 22,-0.1 -0.165 55.4-109.2 -44.4 132.1 11.4 44.7 -19.0 12 12 A C > - 0 0 0 21,-2.8 4,-1.1 1,-0.2 5,-0.4 -0.503 19.3-148.0 -68.0 134.6 14.9 44.6 -20.2 13 13 A P T 4 S+ 0 0 34 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.739 91.1 59.2 -78.4 -20.5 15.0 45.0 -23.9 14 14 A N T 4 S+ 0 0 35 1,-0.2 -3,-0.0 12,-0.0 -2,-0.0 0.843 123.7 16.7 -77.0 -34.1 18.1 42.7 -24.3 15 15 A C T >4 S- 0 0 21 -3,-0.2 3,-1.5 11,-0.1 5,-0.2 0.394 96.8-128.4-117.3 2.5 16.7 39.6 -22.9 16 16 A N T 3< S- 0 0 132 -4,-1.1 -5,-0.1 1,-0.2 18,-0.1 0.785 76.4 -46.6 50.7 30.0 13.1 40.6 -23.1 17 17 A G T 3 S+ 0 0 38 -5,-0.4 -1,-0.2 -7,-0.1 17,-0.0 0.243 113.4 106.4 105.5 -12.1 12.6 39.7 -19.4 18 18 A S S < S- 0 0 77 -3,-1.5 -2,-0.1 2,-0.2 3,-0.1 0.800 74.1-137.8 -70.2 -25.6 14.3 36.3 -19.0 19 19 A G + 0 0 0 1,-0.2 7,-2.7 14,-0.1 2,-0.3 0.541 67.4 111.1 75.7 9.4 17.3 37.8 -17.2 20 20 A R E +B 25 0B 101 5,-0.3 -1,-0.2 -5,-0.2 -2,-0.2 -0.894 42.0 171.6-126.9 144.3 19.5 35.5 -19.4 21 21 A E E > -B 24 0B 99 3,-2.7 3,-2.2 -2,-0.3 -6,-0.0 -0.648 67.3 -91.1-138.0 74.6 22.0 35.7 -22.2 22 22 A E T 3 S+ 0 0 129 1,-0.4 -2,-0.0 -2,-0.1 4,-0.0 0.056 109.0 15.8 -45.2 136.8 23.0 32.0 -22.0 23 23 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.4 0, 0.0 3,-0.1 -0.954 128.8 50.5 -87.2 19.4 25.1 30.8 -20.5 24 24 A E E < S-B 21 0B 116 -3,-2.2 -3,-2.7 1,-0.1 7,-0.1 -0.626 89.5 -93.6-113.3 163.3 25.3 34.0 -18.4 25 25 A P E -B 20 0B 61 0, 0.0 -5,-0.3 0, 0.0 5,-0.1 -0.441 65.1 -89.4 -61.0 153.0 23.0 36.3 -16.6 26 26 A C >> - 0 0 0 -7,-2.7 5,-1.8 1,-0.2 4,-0.7 -0.573 36.3-147.7 -68.0 129.1 22.0 39.0 -19.1 27 27 A P T 45S+ 0 0 64 0, 0.0 -1,-0.2 0, 0.0 -7,-0.0 0.760 91.0 61.2 -72.2 -23.2 24.6 41.7 -18.6 28 28 A K T 45S+ 0 0 74 1,-0.2 -2,-0.0 2,-0.1 6,-0.0 0.854 120.9 22.4 -72.9 -34.9 22.2 44.6 -19.5 29 29 A C T >45S- 0 0 8 -3,-0.4 3,-1.8 6,-0.1 5,-0.3 0.296 105.6-116.6-113.3 10.9 19.9 43.8 -16.6 30 30 A L T 3<5S- 0 0 108 -4,-0.7 -2,-0.1 1,-0.3 -10,-0.0 0.853 74.6 -57.7 57.1 36.5 22.3 42.0 -14.4 31 31 A G T 3 - 0 0 6 -29,-2.1 4,-2.5 -2,-0.1 5,-0.2 -0.439 39.8 -98.0 -85.5 174.5 13.5 53.7 -14.4 38 38 A A H > S+ 0 0 30 130,-0.9 4,-2.5 2,-0.2 5,-0.2 0.887 128.8 51.9 -59.9 -38.1 14.9 57.0 -13.1 39 39 A Q H > S+ 0 0 8 -32,-0.3 4,-2.2 129,-0.3 -1,-0.2 0.892 109.6 49.4 -65.2 -41.0 12.5 56.7 -10.2 40 40 A G H > S+ 0 0 0 -33,-0.4 4,-2.7 2,-0.2 5,-0.2 0.928 113.1 45.9 -63.3 -48.3 13.7 53.1 -9.5 41 41 A S H X S+ 0 0 36 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.891 110.6 54.1 -59.0 -47.0 17.4 54.2 -9.6 42 42 A T H X S+ 0 0 19 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.943 114.3 41.0 -52.0 -48.9 16.6 57.2 -7.4 43 43 A L H X S+ 0 0 6 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.914 116.5 46.5 -67.9 -45.3 15.1 54.9 -4.8 44 44 A L H X S+ 0 0 12 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.967 112.8 51.8 -63.1 -51.8 17.6 52.1 -4.9 45 45 A H H X S+ 0 0 119 -4,-2.9 4,-2.0 -5,-0.2 -1,-0.2 0.900 110.3 47.8 -50.2 -50.2 20.4 54.6 -4.8 46 46 A F H X S+ 0 0 7 -4,-2.1 4,-1.1 -5,-0.2 -1,-0.2 0.902 113.1 46.9 -59.3 -47.0 19.0 56.4 -1.7 47 47 A I H X S+ 0 0 5 -4,-2.2 4,-0.7 1,-0.2 3,-0.5 0.923 113.7 48.9 -61.1 -45.2 18.4 53.1 0.3 48 48 A K H >< S+ 0 0 83 -4,-2.8 3,-0.5 1,-0.2 4,-0.3 0.876 108.5 53.8 -62.9 -36.6 21.9 51.9 -0.6 49 49 A K H 3< S+ 0 0 87 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.750 123.2 26.6 -70.1 -27.6 23.5 55.1 0.4 50 50 A H H >< S+ 0 0 0 -4,-1.1 3,-1.7 -3,-0.5 -1,-0.2 0.179 83.7 117.0-121.5 11.5 21.9 55.1 3.8 51 51 A I T << S+ 0 0 34 -4,-0.7 -2,-0.1 -3,-0.5 -3,-0.1 0.850 75.5 55.2 -51.4 -40.6 21.4 51.3 4.3 52 52 A H T 3 0 0 179 -4,-0.3 -1,-0.3 1,-0.2 -4,-0.1 0.111 360.0 360.0 -84.5 25.0 23.8 51.2 7.3 53 53 A E < 0 0 93 -3,-1.7 -1,-0.2 99,-0.0 -2,-0.2 0.401 360.0 360.0-146.3 360.0 21.8 53.9 9.1 54 !* 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 55 1 B M 0 0 114 0, 0.0 3,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 155.8 4.0 62.9 2.1 56 2 B V + 0 0 55 1,-0.2 2,-0.5 54,-0.1 -54,-0.1 0.940 360.0 22.0 -46.5 -58.9 3.7 60.9 -1.0 57 3 B I S S- 0 0 1 -55,-0.1 -1,-0.2 3,-0.0 2,-0.2 -0.941 78.6-176.4-119.9 109.1 4.4 57.6 0.9 58 4 B A >> - 0 0 29 -2,-0.5 3,-1.8 -3,-0.3 4,-0.8 -0.573 44.1-104.9-101.1 164.3 3.7 57.6 4.6 59 5 B T H >> S+ 0 0 56 1,-0.3 3,-1.5 2,-0.2 4,-1.5 0.901 124.3 60.3 -52.2 -37.3 4.4 54.8 7.0 60 6 B D H 34 S+ 0 0 142 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.680 99.8 54.9 -63.4 -24.2 0.6 54.2 6.8 61 7 B D H <4 S+ 0 0 70 -3,-1.8 33,-0.5 1,-0.1 32,-0.3 0.672 112.1 44.7 -79.0 -19.4 1.0 53.6 3.1 62 8 B L H << S+ 0 0 0 -3,-1.5 29,-1.4 -4,-0.8 2,-0.3 0.666 119.6 11.4-102.3 -20.3 3.5 50.9 3.7 63 9 B E E < -C 90 0C 17 -4,-1.5 2,-0.3 27,-0.3 -1,-0.2 -0.979 59.9-148.8-162.3 153.3 2.3 48.7 6.6 64 10 B T E -C 89 0C 58 25,-3.2 25,-1.8 -2,-0.3 2,-0.4 -0.795 39.0 -83.2-124.8 165.4 -0.9 48.2 8.5 65 11 B T E -C 88 0C 87 -2,-0.3 23,-0.3 23,-0.2 22,-0.1 -0.587 56.6-108.7 -69.3 124.7 -1.7 47.1 12.1 66 12 B C > - 0 0 0 21,-2.8 4,-1.6 -2,-0.4 3,-0.3 -0.371 18.9-145.5 -60.8 128.7 -1.6 43.4 12.1 67 13 B P T 4 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.467 92.6 55.0 -75.6 -1.1 -5.1 41.8 12.5 68 14 B N T 4 S+ 0 0 84 12,-0.0 -2,-0.0 19,-0.0 -3,-0.0 0.777 128.2 10.4 -99.0 -36.3 -3.8 38.9 14.6 69 15 B C T >4 S- 0 0 19 -3,-0.3 3,-1.0 11,-0.1 5,-0.2 0.385 93.1-137.6-117.6 -8.7 -2.0 40.6 17.5 70 16 B N T 3< S- 0 0 119 -4,-1.6 2,-0.5 1,-0.2 18,-0.1 0.951 75.5 -25.0 42.4 69.7 -3.2 44.1 16.7 71 17 B G T 3 S+ 0 0 42 16,-0.7 -1,-0.2 -5,-0.3 -5,-0.0 -0.319 127.1 74.3 104.9 -53.4 0.1 46.0 17.2 72 18 B S S < S- 0 0 74 -3,-1.0 -2,-0.1 -2,-0.5 8,-0.1 0.896 81.1-143.9 -64.2 -38.7 2.1 44.0 19.6 73 19 B G + 0 0 0 1,-0.3 7,-6.3 14,-0.2 2,-0.4 0.765 60.0 125.5 75.2 24.9 3.0 41.3 17.1 74 20 B R E +D 79 0D 94 5,-0.3 -1,-0.3 -5,-0.2 -2,-0.1 -0.940 41.9 178.6-120.6 140.4 2.8 38.8 19.9 75 21 B E E > -D 78 0D 105 3,-3.3 3,-1.3 -2,-0.4 -6,-0.1 -0.634 63.7 -78.0-134.1 70.3 0.7 35.7 20.2 76 22 B E T 3 S+ 0 0 130 1,-0.4 -2,-0.0 -2,-0.1 0, 0.0 0.308 111.6 8.6 -21.9 131.5 1.9 34.6 23.7 77 23 B P T 3 S+ 0 0 95 0, 0.0 -1,-0.4 0, 0.0 0, 0.0 -0.983 128.2 51.9 -88.6 12.5 4.3 33.3 24.5 78 24 B E E < S-D 75 0D 120 -3,-1.3 -3,-3.3 1,-0.2 7,-0.1 -0.597 91.1 -86.0-108.6 159.3 5.7 33.8 21.0 79 25 B P E -D 74 0D 58 0, 0.0 -5,-0.3 0, 0.0 -1,-0.2 -0.239 65.6 -87.2 -47.7 148.9 6.2 36.6 18.5 80 26 B C >> - 0 0 1 -7,-6.3 4,-1.8 1,-0.2 5,-1.3 -0.532 35.5-148.2 -64.8 123.8 3.1 37.0 16.4 81 27 B P T 45S+ 0 0 70 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.952 93.2 54.6 -58.0 -51.4 3.5 34.5 13.5 82 28 B K T 45S+ 0 0 118 1,-0.2 -2,-0.1 2,-0.1 6,-0.0 0.802 124.1 23.9 -53.9 -36.6 1.5 36.7 11.0 83 29 B C T >45S- 0 0 4 -3,-0.1 3,-1.2 6,-0.1 5,-0.3 0.506 101.4-119.1-110.9 -4.4 3.6 39.8 11.6 84 30 B L T 3<5S- 0 0 112 -4,-1.8 -2,-0.1 -3,-0.3 -10,-0.1 0.806 74.8 -61.8 68.3 27.8 6.9 38.2 12.8 85 31 B G T 3 - 0 0 31 -29,-1.4 4,-2.8 -30,-0.1 5,-0.2 -0.527 37.0-100.4 -91.8 171.1 0.4 46.9 2.2 92 38 B A H > S+ 0 0 67 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.895 128.5 51.5 -60.7 -39.1 0.6 46.2 -1.6 93 39 B Q H > S+ 0 0 15 -32,-0.3 4,-2.4 2,-0.2 5,-0.2 0.940 110.5 47.8 -62.1 -47.4 2.6 49.5 -1.8 94 40 B G H > S+ 0 0 0 -33,-0.5 4,-2.7 1,-0.2 5,-0.2 0.936 112.6 48.6 -56.3 -49.2 4.9 48.3 1.0 95 41 B S H X S+ 0 0 64 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.883 110.5 51.8 -58.5 -44.2 5.4 44.9 -0.7 96 42 B T H X S+ 0 0 20 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.931 114.3 41.9 -58.5 -50.3 6.1 46.5 -4.1 97 43 B L H X S+ 0 0 10 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.912 117.6 45.7 -66.3 -43.7 8.8 48.8 -2.7 98 44 B L H X S+ 0 0 14 -4,-2.7 4,-3.1 2,-0.2 5,-0.2 0.909 112.5 50.4 -64.1 -47.4 10.4 46.1 -0.5 99 45 B H H X S+ 0 0 111 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.891 110.9 52.3 -59.3 -38.8 10.4 43.6 -3.3 100 46 B F H X S+ 0 0 5 -4,-1.8 4,-1.0 -5,-0.3 -1,-0.2 0.917 112.2 42.5 -59.3 -53.1 12.0 46.2 -5.5 101 47 B I H >X S+ 0 0 4 -4,-2.2 4,-2.9 2,-0.2 3,-1.4 0.980 114.2 51.0 -62.1 -54.0 14.8 46.9 -3.1 102 48 B K H 3< S+ 0 0 90 -4,-3.1 4,-0.5 1,-0.3 5,-0.3 0.897 106.9 57.5 -46.0 -40.3 15.3 43.2 -2.3 103 49 B K H 3< S+ 0 0 65 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.753 125.5 15.1 -67.0 -27.7 15.5 42.5 -6.0 104 50 B H H << S+ 0 0 14 -3,-1.4 -1,-0.2 -4,-1.0 -2,-0.2 0.439 95.5 94.3-127.5 -8.5 18.4 44.9 -6.7 105 51 B I S < S- 0 0 9 -4,-2.9 -3,-0.1 -5,-0.2 -2,-0.1 0.820 89.3-124.1 -57.1 -30.1 20.0 45.8 -3.4 106 52 B H 0 0 113 -4,-0.5 -3,-0.1 1,-0.4 -2,-0.1 0.926 360.0 360.0 78.2 81.5 22.5 43.0 -3.9 107 53 B E 0 0 159 -5,-0.3 -1,-0.4 -4,-0.0 -2,-0.1 -0.778 360.0 360.0 163.4 360.0 22.2 40.8 -0.8 108 !* 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 0.0 109 1 C M 0 0 39 0, 0.0 3,-0.3 0, 0.0 56,-0.1 0.000 360.0 360.0 360.0 120.2 9.5 61.9 -10.9 110 2 C V + 0 0 69 1,-0.3 2,-0.6 54,-0.2 -54,-0.1 0.919 360.0 34.3 -60.3 -48.7 7.2 61.9 -7.8 111 3 C I S S+ 0 0 1 -55,-0.0 -1,-0.3 3,-0.0 2,-0.1 -0.878 78.9 177.7-117.6 104.3 10.0 61.1 -5.5 112 4 C A > - 0 0 26 -2,-0.6 3,-1.3 -3,-0.3 4,-0.3 -0.406 44.4-101.0 -93.0 169.8 13.3 62.6 -6.4 113 5 C T G >> S+ 0 0 67 1,-0.3 4,-2.0 2,-0.2 3,-1.4 0.859 121.1 56.5 -59.8 -37.8 16.6 62.5 -4.6 114 6 C D G 34 S+ 0 0 105 1,-0.3 -1,-0.3 2,-0.2 5,-0.0 0.608 102.8 56.3 -77.6 -7.0 16.2 65.9 -3.1 115 7 C D G <4 S+ 0 0 68 -3,-1.3 33,-0.4 1,-0.1 -1,-0.3 0.416 111.1 44.1 -96.1 -9.2 12.8 64.8 -1.6 116 8 C L T <4 S+ 0 0 0 -3,-1.4 29,-2.1 1,-0.4 2,-0.4 0.642 126.8 17.2-106.1 -29.3 14.6 62.0 0.2 117 9 C E E < -E 144 0E 20 -4,-2.0 2,-0.5 27,-0.3 -1,-0.4 -0.994 62.1-155.4-147.4 137.0 17.6 63.9 1.4 118 10 C T E -E 143 0E 70 25,-2.5 25,-2.4 -2,-0.4 -4,-0.0 -0.955 40.1 -90.8-116.5 133.5 18.5 67.5 1.9 119 11 C T E -E 142 0E 101 -2,-0.5 23,-0.3 23,-0.2 22,-0.1 0.045 51.5-100.7 -35.1 136.1 22.0 68.9 1.9 120 12 C C - 0 0 0 21,-1.5 3,-0.4 1,-0.1 4,-0.3 -0.446 23.4-151.7 -68.2 134.7 23.5 69.0 5.4 121 13 C P S S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.807 91.8 59.6 -77.6 -30.6 23.5 72.5 7.0 122 14 C N S S+ 0 0 77 1,-0.0 -2,-0.1 5,-0.0 14,-0.0 0.571 129.1 2.6 -75.6 -10.6 26.6 71.9 9.2 123 15 C C S S- 0 0 25 -3,-0.4 3,-0.1 18,-0.1 -4,-0.0 0.492 76.8-137.7-136.0 -68.0 28.8 71.2 6.1 124 16 C N S S- 0 0 120 -4,-0.3 2,-0.1 17,-0.1 18,-0.1 0.818 75.2 -37.7 99.1 42.0 27.3 71.5 2.6 125 17 C G S S+ 0 0 48 16,-0.3 -1,-0.1 -5,-0.1 17,-0.0 -0.273 112.8 92.1 112.8 -51.7 28.8 68.5 0.7 126 18 C S S S- 0 0 80 -2,-0.1 3,-0.1 1,-0.1 8,-0.1 0.736 76.7-149.4 -52.3 -18.0 32.4 68.0 1.8 127 19 C G + 0 0 3 1,-0.2 7,-1.2 14,-0.1 2,-0.2 0.822 61.1 98.7 50.2 32.7 30.7 65.7 4.3 128 20 C R E -F 133 0F 154 5,-0.3 -1,-0.2 12,-0.1 -2,-0.1 -0.803 59.5-158.3-136.5 178.2 33.6 66.5 6.6 129 21 C E E > -F 132 0F 97 3,-1.9 3,-0.5 -2,-0.2 -2,-0.0 -0.102 62.2 -75.3-155.5 45.3 34.5 68.8 9.6 130 22 C E T 3 S+ 0 0 134 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.677 109.8 4.7 12.1 122.7 38.4 69.0 9.5 131 23 C P T 3 S+ 0 0 124 0, 0.0 -1,-0.3 0, 0.0 0, 0.0 -0.995 130.8 32.9 -96.2 -2.9 40.2 67.0 10.3 132 24 C E E < S-F 129 0F 146 -3,-0.5 -3,-1.9 1,-0.2 2,-0.2 -0.096 96.8 -64.5 -93.8-166.3 37.7 64.2 11.1 133 25 C P E -F 128 0F 84 0, 0.0 -5,-0.3 0, 0.0 -1,-0.2 -0.510 58.8 -91.7 -83.5 152.0 34.3 63.3 9.5 134 26 C C - 0 0 1 -7,-1.2 5,-0.4 -2,-0.2 4,-0.3 -0.435 31.9-153.0 -63.3 130.0 31.2 65.5 9.7 135 27 C P S > S+ 0 0 70 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.945 86.5 52.3 -68.1 -53.9 29.1 64.7 12.8 136 28 C K T 3 S+ 0 0 136 1,-0.2 -2,-0.0 2,-0.1 -13,-0.0 0.829 125.7 22.7 -55.1 -42.3 25.7 65.8 11.6 137 29 C C T > S- 0 0 5 6,-0.1 3,-2.5 -9,-0.1 5,-0.4 0.162 100.2-122.9-114.5 15.7 25.6 63.8 8.4 138 30 C L T < S- 0 0 119 -3,-0.9 -2,-0.1 -4,-0.3 -10,-0.0 0.700 73.8 -56.0 47.7 27.2 28.2 61.1 9.3 139 31 C G T 3 S+ 0 0 34 -5,-0.4 -1,-0.3 -11,-0.1 -3,-0.0 0.301 120.4 103.5 94.2 -9.2 30.3 62.1 6.3 140 32 C K S < S- 0 0 63 -3,-2.5 -2,-0.1 2,-0.2 -13,-0.1 0.613 76.8-140.8 -79.8 -14.9 27.6 61.5 3.7 141 33 C G S S+ 0 0 1 -4,-0.2 -21,-1.5 -7,-0.1 2,-0.3 0.600 72.3 80.8 66.1 11.9 27.1 65.3 3.4 142 34 C V E -E 119 0E 19 -5,-0.4 2,-0.3 -23,-0.3 -23,-0.2 -0.990 64.6-148.4-142.4 143.5 23.3 65.0 3.1 143 35 C I E -E 118 0E 66 -25,-2.4 -25,-2.5 -2,-0.3 2,-0.1 -0.832 26.8 -99.6-111.8 161.9 20.6 64.4 5.8 144 36 C L E -E 117 0E 42 -2,-0.3 -27,-0.3 -27,-0.3 2,-0.1 -0.426 26.6-144.5 -78.9 146.4 17.3 62.6 5.6 145 37 C T > - 0 0 30 -29,-2.1 4,-4.1 -2,-0.1 5,-0.4 -0.436 36.9 -97.8 -95.2 174.7 13.9 64.1 5.1 146 38 C A H > S+ 0 0 65 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.943 129.9 45.8 -59.0 -44.2 10.7 62.9 6.6 147 39 C Q H > S+ 0 0 15 -32,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.945 117.2 43.0 -62.1 -47.6 10.0 61.1 3.3 148 40 C G H > S+ 0 0 0 -33,-0.4 4,-2.3 2,-0.2 5,-0.2 0.935 116.3 46.8 -65.9 -50.0 13.5 59.7 3.1 149 41 C S H X S+ 0 0 56 -4,-4.1 4,-2.4 1,-0.2 5,-0.3 0.894 111.8 53.6 -56.5 -42.5 13.6 58.8 6.8 150 42 C T H X S+ 0 0 21 -4,-2.7 4,-2.1 -5,-0.4 -2,-0.2 0.948 111.2 43.9 -56.8 -51.1 10.2 57.2 6.4 151 43 C L H X S+ 0 0 12 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.877 115.2 47.6 -62.5 -45.6 11.3 55.0 3.5 152 44 C L H X S+ 0 0 7 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.865 110.2 51.3 -61.3 -44.3 14.6 54.0 5.1 153 45 C H H X S+ 0 0 129 -4,-2.4 4,-1.1 -5,-0.2 -2,-0.2 0.930 113.5 47.7 -63.6 -41.7 12.9 53.1 8.5 154 46 C F H >X S+ 0 0 5 -4,-2.1 4,-1.5 -5,-0.3 3,-0.6 0.952 111.7 46.8 -62.9 -54.4 10.4 50.9 6.6 155 47 C I H >X S+ 0 0 4 -4,-2.4 4,-3.0 1,-0.2 3,-0.6 0.945 115.2 47.8 -53.5 -48.8 12.9 49.1 4.4 156 48 C K H 3< S+ 0 0 34 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.668 108.1 55.0 -65.0 -22.7 15.1 48.4 7.4 157 49 C K H << S+ 0 0 70 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.777 124.0 23.5 -83.1 -25.1 12.2 47.2 9.5 158 50 C H H << S+ 0 0 11 -4,-1.5 -2,-0.2 -3,-0.6 -3,-0.2 0.598 93.8 83.5-117.6 -15.9 11.3 44.6 6.9 159 51 C I S < S- 0 0 5 -4,-3.0 -3,-0.1 -5,-0.2 -1,-0.1 0.757 90.8-140.6 -60.0 -11.1 14.3 43.8 4.8 160 52 C H 0 0 107 -5,-0.3 -1,-0.1 1,-0.2 -4,-0.1 0.654 360.0 360.0 51.4 23.3 14.5 41.6 7.9 161 53 C E 0 0 166 -6,-0.3 -1,-0.2 -5,-0.1 -2,-0.1 -0.204 360.0 360.0 69.5 360.0 18.2 42.6 7.4 162 !* 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 0.0 163 1 D M 0 0 179 0, 0.0 3,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.6 5.9 67.8 -13.1 164 2 D V + 0 0 129 1,-0.3 2,-0.5 -54,-0.0 -54,-0.2 0.949 360.0 22.9 -54.4 -53.0 3.6 64.8 -12.8 165 3 D I S S- 0 0 59 -56,-0.1 -1,-0.3 -55,-0.0 2,-0.1 -0.906 76.6-177.3-124.4 107.8 5.2 63.1 -15.8 166 4 D A >> - 0 0 15 -2,-0.5 3,-2.0 -3,-0.3 4,-0.6 -0.451 46.7 -98.0 -95.0 167.2 8.7 64.1 -16.9 167 5 D T H >> S+ 0 0 97 1,-0.3 3,-2.7 2,-0.2 4,-1.8 0.949 124.9 59.2 -46.3 -48.5 10.7 62.8 -19.9 168 6 D D H 34 S+ 0 0 56 1,-0.3 -130,-0.9 2,-0.2 -129,-0.3 0.564 101.2 53.8 -58.2 -14.7 12.4 60.3 -17.4 169 7 D D H <4 S+ 0 0 28 -3,-2.0 33,-0.4 -132,-0.1 32,-0.3 0.513 112.6 44.4 -92.2 -14.2 9.0 58.8 -16.5 170 8 D L H << S+ 0 0 48 -3,-2.7 29,-2.0 -4,-0.6 2,-0.3 0.697 124.0 7.0-105.4 -27.1 8.3 58.1 -20.1 171 9 D E E < -G 198 0G 70 -4,-1.8 2,-0.3 27,-0.3 -1,-0.3 -0.992 59.6-152.5-154.3 153.4 11.5 56.7 -21.5 172 10 D T E -G 197 0G 19 25,-2.9 25,-3.0 -2,-0.3 7,-0.1 -0.962 38.8 -84.3-131.4 154.8 14.9 55.5 -20.2 173 11 D T E -G 196 0G 84 -2,-0.3 23,-0.3 23,-0.3 5,-0.1 -0.276 53.5-106.5 -56.4 133.3 18.3 55.3 -21.7 174 12 D C >> - 0 0 0 21,-2.5 4,-1.0 1,-0.1 5,-0.5 -0.484 20.6-147.7 -65.6 130.2 18.7 52.2 -23.6 175 13 D P T 45S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.739 92.6 58.8 -72.6 -26.5 21.0 49.7 -21.8 176 14 D N T 45S+ 0 0 32 1,-0.2 -2,-0.0 2,-0.0 -3,-0.0 0.870 124.0 15.9 -70.9 -41.7 22.3 48.2 -25.0 177 15 D C T >45S- 0 0 14 -3,-0.2 3,-1.9 18,-0.1 5,-0.2 0.340 96.1-127.5-114.8 3.1 23.8 51.4 -26.5 178 16 D N T 3<5S- 0 0 132 -4,-1.0 -5,-0.1 1,-0.3 18,-0.1 0.798 78.9 -46.2 50.6 28.8 23.8 53.4 -23.4 179 17 D G T 3 -H 186 0H 90 3,-3.0 3,-2.3 -2,-0.4 -6,-0.1 -0.793 66.0 -90.6-131.4 82.6 25.5 49.1 -32.2 184 22 D E T 3 S+ 0 0 134 1,-0.4 -2,-0.0 -2,-0.3 0, 0.0 -0.057 107.5 15.3 -48.3 137.6 28.2 49.7 -34.8 185 23 D P T 3 S+ 0 0 105 0, 0.0 -1,-0.4 0, 0.0 -3,-0.0 -0.947 131.8 41.7 -88.3 16.7 28.1 49.4 -37.7 186 24 D E E < S-H 183 0H 123 -3,-2.3 -3,-3.0 1,-0.1 7,-0.1 -0.711 93.7 -86.0-120.1 165.7 24.3 49.3 -37.4 187 25 D P E -H 182 0H 62 0, 0.0 -5,-0.3 0, 0.0 -1,-0.1 -0.293 61.6 -87.8 -63.0 161.6 21.7 51.2 -35.5 188 26 D C > - 0 0 1 -7,-2.9 5,-1.5 1,-0.1 6,-0.2 -0.586 34.6-152.5 -70.7 128.6 21.1 49.8 -32.1 189 27 D P T 5S+ 0 0 58 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.755 86.5 59.6 -72.5 -28.3 18.4 47.0 -32.3 190 28 D K T 5S+ 0 0 68 1,-0.2 -2,-0.0 2,-0.0 6,-0.0 0.827 121.2 22.3 -75.3 -34.2 17.0 47.4 -28.7 191 29 D C T > 5S- 0 0 10 6,-0.1 3,-2.5 -17,-0.1 5,-0.3 0.111 104.0-124.9-114.8 15.8 16.0 51.0 -28.9 192 30 D L T 3 5S- 0 0 145 1,-0.3 -10,-0.1 -3,-0.2 -2,-0.0 0.863 72.6 -48.6 37.7 56.5 15.7 51.0 -32.7 193 31 D G T 3 - 0 0 3 -29,-2.0 4,-2.5 -2,-0.2 5,-0.2 -0.476 37.9 -98.1 -88.1 168.2 8.7 52.9 -19.8 200 38 D A H > S+ 0 0 30 -194,-0.5 4,-2.0 1,-0.2 5,-0.1 0.842 127.5 53.1 -52.2 -36.6 5.2 51.3 -19.2 201 39 D Q H > S+ 0 0 64 -195,-0.3 4,-2.2 -32,-0.3 -1,-0.2 0.909 109.4 47.9 -70.9 -40.4 3.9 54.8 -18.6 202 40 D G H > S+ 0 0 7 -33,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.901 112.2 47.2 -67.3 -42.0 5.3 56.1 -21.9 203 41 D S H X S+ 0 0 50 -4,-2.5 4,-3.2 2,-0.2 5,-0.2 0.897 110.2 54.7 -67.5 -35.1 4.0 53.1 -23.9 204 42 D T H X S+ 0 0 82 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.954 113.4 41.7 -57.5 -51.1 0.5 53.6 -22.3 205 43 D L H X S+ 0 0 67 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.898 116.7 47.2 -64.5 -45.7 0.5 57.2 -23.3 206 44 D L H X S+ 0 0 94 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.953 113.2 48.7 -61.4 -50.2 1.9 56.6 -26.8 207 45 D H H X S+ 0 0 124 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.890 110.8 51.8 -56.1 -44.5 -0.6 53.7 -27.4 208 46 D F H X S+ 0 0 113 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.2 0.921 111.3 46.2 -60.7 -46.0 -3.5 55.8 -26.3 209 47 D I H X S+ 0 0 89 -4,-2.1 4,-2.0 1,-0.2 3,-0.3 0.930 114.7 45.9 -64.8 -46.1 -2.7 58.6 -28.6 210 48 D K H < S+ 0 0 148 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.863 109.5 57.9 -66.9 -30.7 -2.1 56.4 -31.6 211 49 D K H < S+ 0 0 135 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.840 123.4 19.0 -67.4 -29.9 -5.3 54.6 -30.8 212 50 D H H >< S+ 0 0 68 -4,-1.4 3,-1.2 -3,-0.3 -2,-0.2 0.477 91.7 99.7-122.6 -2.0 -7.5 57.7 -31.0 213 51 D I T 3< S+ 0 0 103 -4,-2.0 -3,-0.1 1,-0.3 -2,-0.1 0.841 91.4 38.0 -63.6 -29.4 -5.6 60.3 -32.9 214 52 D H T 3 0 0 168 -4,-0.4 -1,-0.3 1,-0.1 -2,-0.1 0.354 360.0 360.0-104.7 9.6 -7.4 59.8 -36.2 215 53 D E < 0 0 206 -3,-1.2 -1,-0.1 0, 0.0 -2,-0.1 0.991 360.0 360.0 -54.8 360.0 -11.0 59.1 -35.0