==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 23-MAR-10 3MA5 . COMPND 2 MOLECULE: TETRATRICOPEPTIDE REPEAT DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SALINIBACTER RUBER; . AUTHOR S.VOROBIEV,H.NEELY,J.SEETHARAMAN,H.WANG,E.L.FOOTE, . 337 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18718.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 285 84.6 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 . 0 0.0 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 . 9 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 218 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 3.0 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 1 0 2 0 0 1 1 1 2 3 4 2 0 2 2 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 59 A E 0 0 124 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 24.4 -20.2 -7.0 -7.6 2 60 A D > - 0 0 90 1,-0.1 4,-2.4 2,-0.0 5,-0.5 -0.756 360.0-120.3 -95.9 135.4 -22.1 -8.5 -10.6 3 61 A P H > S+ 0 0 27 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.874 113.4 36.1 -36.3 -64.1 -24.3 -11.6 -10.3 4 62 A F H > S+ 0 0 117 2,-0.2 4,-3.2 1,-0.2 5,-0.4 0.925 113.5 59.7 -62.2 -42.4 -22.4 -13.8 -12.7 5 63 A T H > S+ 0 0 74 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.959 115.0 32.6 -51.1 -59.7 -19.1 -12.4 -11.7 6 64 A R H X S+ 0 0 31 -4,-2.4 4,-3.7 2,-0.2 -1,-0.2 0.810 115.5 59.6 -69.3 -28.8 -19.4 -13.4 -8.0 7 65 A Y H X S+ 0 0 16 -4,-2.3 4,-1.9 -5,-0.5 -2,-0.2 0.993 111.7 39.3 -59.0 -57.6 -21.3 -16.5 -9.0 8 66 A A H X S+ 0 0 26 -4,-3.2 4,-1.6 2,-0.2 -2,-0.2 0.880 115.1 56.4 -57.1 -38.1 -18.4 -17.8 -11.1 9 67 A L H >X S+ 0 0 60 -4,-2.3 4,-1.7 -5,-0.4 3,-1.4 0.989 107.0 46.1 -54.2 -64.1 -16.2 -16.4 -8.3 10 68 A A H 3X S+ 0 0 0 -4,-3.7 4,-1.9 1,-0.3 -1,-0.2 0.780 110.9 58.8 -47.5 -32.5 -17.9 -18.6 -5.7 11 69 A Q H 3X S+ 0 0 24 -4,-1.9 4,-1.1 -5,-0.2 -1,-0.3 0.790 100.4 50.3 -71.8 -34.9 -17.6 -21.4 -8.3 12 70 A E H XX S+ 0 0 79 -4,-1.6 4,-1.9 -3,-1.4 3,-0.6 0.937 108.7 54.6 -71.0 -44.8 -13.8 -21.4 -8.6 13 71 A H H ><>S+ 0 0 0 -4,-1.7 5,-1.9 1,-0.3 3,-1.1 0.962 102.3 56.4 -47.6 -62.5 -13.5 -21.5 -4.8 14 72 A L H ><5S+ 0 0 32 -4,-1.9 3,-1.0 1,-0.3 -1,-0.3 0.823 108.5 49.0 -35.7 -45.9 -15.7 -24.6 -4.7 15 73 A K H <<5S+ 0 0 138 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.839 108.3 51.6 -67.1 -38.6 -13.2 -26.2 -7.1 16 74 A H T <<5S- 0 0 55 -4,-1.9 -1,-0.3 -3,-1.1 -2,-0.2 -0.009 122.0-107.1 -88.6 27.7 -10.2 -25.2 -5.0 17 75 A D T < 5S+ 0 0 63 -3,-1.0 2,-0.8 1,-0.2 159,-0.2 0.718 78.4 135.6 53.9 27.3 -11.9 -26.8 -1.9 18 76 A N >< + 0 0 29 -5,-1.9 4,-2.2 1,-0.2 3,-0.3 -0.558 16.8 155.8-102.6 67.2 -12.7 -23.3 -0.4 19 77 A A H > + 0 0 5 -2,-0.8 4,-3.1 1,-0.2 5,-0.2 0.805 64.1 59.6 -64.2 -35.9 -16.2 -24.1 0.6 20 78 A S H > S+ 0 0 12 148,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.917 111.7 41.4 -62.8 -39.7 -16.6 -21.6 3.4 21 79 A R H > S+ 0 0 52 -3,-0.3 4,-2.0 2,-0.2 5,-0.2 0.905 113.2 53.1 -72.0 -44.1 -15.9 -18.8 0.9 22 80 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.945 110.9 48.6 -55.5 -48.1 -18.0 -20.4 -1.7 23 81 A L H X S+ 0 0 20 -4,-3.1 4,-2.6 2,-0.2 5,-0.3 0.888 106.8 54.9 -60.9 -42.8 -20.9 -20.6 0.8 24 82 A A H X S+ 0 0 41 -4,-1.9 4,-2.1 1,-0.2 5,-0.2 0.985 112.8 42.4 -52.3 -63.2 -20.5 -16.9 2.0 25 83 A L H X S+ 0 0 9 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.904 113.4 53.2 -50.1 -50.1 -20.9 -15.6 -1.6 26 84 A F H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.912 109.7 46.3 -54.8 -48.6 -23.7 -18.1 -2.4 27 85 A E H X S+ 0 0 63 -4,-2.6 4,-0.9 2,-0.2 -1,-0.2 0.879 113.8 49.8 -61.9 -40.3 -25.9 -17.1 0.6 28 86 A E H >X S+ 0 0 79 -4,-2.1 4,-2.7 -5,-0.3 3,-1.1 0.945 110.0 50.4 -62.0 -52.4 -25.3 -13.4 -0.2 29 87 A L H 3X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.3 -1,-0.2 0.846 104.3 59.3 -54.0 -41.6 -26.2 -13.9 -3.8 30 88 A V H 3< S+ 0 0 20 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.783 114.4 34.8 -64.3 -25.8 -29.4 -15.6 -2.9 31 89 A E H << S+ 0 0 150 -3,-1.1 -2,-0.2 -4,-0.9 -1,-0.2 0.771 121.8 44.1 -99.4 -28.8 -30.6 -12.6 -0.9 32 90 A T H < S+ 0 0 76 -4,-2.7 -3,-0.2 1,-0.3 -2,-0.2 0.944 133.7 18.2 -78.0 -49.5 -29.3 -9.8 -3.1 33 91 A D S >< S+ 0 0 47 -4,-2.1 3,-1.2 -5,-0.3 -1,-0.3 -0.703 75.0 169.1-121.4 75.5 -30.3 -11.4 -6.4 34 92 A P T 3 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 32,-0.1 0.747 71.9 56.1 -62.6 -26.6 -32.9 -13.9 -5.4 35 93 A D T 3 S+ 0 0 103 -4,-0.1 2,-0.8 1,-0.1 3,-0.1 -0.006 73.1 107.3-100.3 34.8 -34.1 -14.7 -9.0 36 94 A Y X - 0 0 67 -3,-1.2 3,-1.2 -7,-0.2 4,-0.4 -0.900 59.0-160.7-105.9 93.3 -30.7 -15.7 -10.3 37 95 A V T >> S+ 0 0 17 -2,-0.8 3,-0.8 33,-0.3 4,-0.6 0.685 72.3 74.1 -48.7 -35.7 -31.4 -19.4 -10.6 38 96 A G H 3> S+ 0 0 20 1,-0.2 4,-0.9 2,-0.2 3,-0.4 0.754 87.4 62.5 -57.1 -29.7 -27.8 -20.8 -10.7 39 97 A T H <> S+ 0 0 0 -3,-1.2 4,-2.2 1,-0.2 5,-0.2 0.853 90.5 66.5 -65.5 -39.0 -27.1 -20.2 -7.1 40 98 A Y H <> S+ 0 0 5 -3,-0.8 4,-1.6 -4,-0.4 -1,-0.2 0.815 98.3 49.6 -58.0 -36.1 -29.7 -22.5 -5.7 41 99 A Y H X S+ 0 0 25 -4,-0.6 4,-1.7 -3,-0.4 -1,-0.2 0.923 115.1 41.2 -72.5 -43.3 -28.2 -25.8 -6.9 42 100 A H H X S+ 0 0 16 -4,-0.9 4,-1.1 2,-0.2 -2,-0.2 0.830 113.4 54.4 -73.2 -30.3 -24.7 -25.3 -5.7 43 101 A L H X S+ 0 0 3 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.926 111.4 44.2 -68.5 -44.1 -25.8 -23.8 -2.3 44 102 A G H X S+ 0 0 0 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.864 110.8 53.1 -68.3 -37.0 -28.0 -26.8 -1.5 45 103 A K H X S+ 0 0 59 -4,-1.7 4,-1.2 1,-0.2 -1,-0.2 0.782 112.2 48.5 -68.8 -23.1 -25.3 -29.2 -2.6 46 104 A L H X S+ 0 0 2 -4,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.849 106.3 54.2 -82.7 -38.7 -23.0 -27.3 -0.2 47 105 A Y H <>S+ 0 0 17 -4,-2.2 5,-2.6 1,-0.2 -2,-0.2 0.885 106.6 53.6 -62.1 -38.4 -25.5 -27.4 2.6 48 106 A E H ><5S+ 0 0 44 -4,-2.0 3,-2.0 1,-0.2 5,-0.3 0.943 108.2 48.1 -61.6 -47.5 -25.7 -31.1 2.2 49 107 A R H 3<5S+ 0 0 91 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.826 107.8 57.5 -60.8 -31.6 -21.9 -31.4 2.5 50 108 A L T 3<5S- 0 0 24 -4,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.252 117.1-116.9 -81.8 10.1 -22.1 -29.2 5.5 51 109 A D T < 5S+ 0 0 134 -3,-2.0 3,-0.2 1,-0.1 -3,-0.2 0.621 88.4 115.6 60.5 14.8 -24.5 -31.7 7.1 52 110 A R >>< + 0 0 96 -5,-2.6 4,-1.3 -6,-0.2 3,-0.9 -0.402 33.5 153.0-104.6 50.8 -27.2 -29.0 7.1 53 111 A T H 3> + 0 0 22 -5,-0.3 4,-1.8 1,-0.3 3,-0.3 0.853 64.2 56.4 -49.9 -46.8 -29.2 -31.2 4.7 54 112 A D H 3> S+ 0 0 94 1,-0.3 4,-1.3 2,-0.2 -1,-0.3 0.871 106.5 52.7 -57.9 -34.2 -32.7 -29.9 5.7 55 113 A D H <> S+ 0 0 58 -3,-0.9 4,-1.0 1,-0.2 -1,-0.3 0.853 104.5 56.9 -66.4 -35.1 -31.4 -26.4 4.8 56 114 A A H X S+ 0 0 0 -4,-1.3 4,-2.5 -3,-0.3 -2,-0.2 0.895 104.7 51.3 -63.0 -40.7 -30.3 -27.7 1.4 57 115 A I H X S+ 0 0 26 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.810 105.8 52.7 -68.9 -32.6 -33.9 -28.9 0.7 58 116 A D H X S+ 0 0 92 -4,-1.3 4,-1.3 2,-0.2 -1,-0.2 0.751 112.5 48.6 -74.7 -21.2 -35.4 -25.5 1.5 59 117 A T H X S+ 0 0 8 -4,-1.0 4,-3.0 2,-0.2 -2,-0.2 0.894 108.9 49.3 -83.6 -42.4 -32.9 -24.1 -0.9 60 118 A Y H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.897 114.2 49.1 -61.0 -35.5 -33.6 -26.6 -3.7 61 119 A A H X S+ 0 0 32 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.871 110.0 48.7 -71.7 -36.9 -37.3 -25.7 -3.1 62 120 A Q H X S+ 0 0 93 -4,-1.3 4,-1.7 2,-0.2 3,-0.3 0.889 112.8 50.5 -66.8 -39.3 -36.6 -22.0 -3.3 63 121 A G H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.901 105.4 54.7 -65.0 -42.3 -34.7 -22.7 -6.5 64 122 A I H X S+ 0 0 18 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.761 105.7 54.1 -64.7 -24.7 -37.5 -24.7 -8.0 65 123 A E H X S+ 0 0 119 -4,-1.0 4,-1.6 -3,-0.3 -1,-0.2 0.934 113.8 39.3 -75.2 -45.2 -39.9 -21.8 -7.4 66 124 A V H X S+ 0 0 26 -4,-1.7 4,-5.0 1,-0.2 5,-0.4 0.898 112.9 57.5 -70.5 -36.2 -37.7 -19.2 -9.2 67 125 A A H X S+ 0 0 3 -4,-2.9 4,-1.6 3,-0.2 9,-0.2 0.847 104.8 49.6 -64.3 -34.8 -36.7 -21.8 -11.9 68 126 A R H < S+ 0 0 148 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.997 124.6 31.3 -63.1 -60.3 -40.3 -22.5 -13.0 69 127 A E H < S+ 0 0 150 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.2 0.906 143.1 9.6 -62.2 -48.2 -41.0 -18.7 -13.2 70 128 A E H < S+ 0 0 130 -4,-5.0 -33,-0.3 -5,-0.2 -3,-0.2 0.192 111.2 77.2-125.0 18.2 -37.5 -17.4 -14.3 71 129 A G S < S- 0 0 32 -4,-1.6 2,-0.3 -5,-0.4 -4,-0.1 -0.440 70.7-104.8-117.1-166.7 -35.4 -20.4 -15.1 72 130 A T >> - 0 0 65 -2,-0.1 4,-2.7 1,-0.1 3,-0.6 -0.867 33.4-108.6-121.3 150.8 -34.7 -22.9 -17.9 73 131 A Q H 3> S+ 0 0 104 -2,-0.3 4,-2.9 1,-0.3 5,-0.2 0.847 121.5 57.0 -46.7 -40.4 -35.7 -26.7 -18.0 74 132 A K H 3> S+ 0 0 27 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.963 112.3 41.8 -55.9 -49.5 -32.0 -27.5 -17.6 75 133 A D H <> S+ 0 0 40 -3,-0.6 4,-1.6 1,-0.2 -2,-0.2 0.934 114.4 50.0 -63.7 -47.6 -32.1 -25.5 -14.3 76 134 A L H X S+ 0 0 19 -4,-2.7 4,-2.2 -9,-0.2 -1,-0.2 0.893 111.3 51.6 -58.7 -40.5 -35.4 -26.8 -13.2 77 135 A S H X S+ 0 0 15 -4,-2.9 4,-2.6 -5,-0.3 5,-0.2 0.914 105.9 49.5 -64.6 -48.7 -34.3 -30.3 -13.8 78 136 A E H X S+ 0 0 15 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.867 114.3 47.2 -61.8 -35.6 -31.0 -30.4 -11.8 79 137 A L H X S+ 0 0 2 -4,-1.6 4,-3.1 2,-0.2 5,-0.2 0.940 111.5 49.4 -68.3 -52.8 -32.8 -28.9 -8.8 80 138 A Q H X S+ 0 0 63 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.913 114.2 46.9 -53.2 -45.7 -35.7 -31.3 -9.0 81 139 A D H X S+ 0 0 84 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.899 113.2 48.3 -63.0 -43.8 -33.2 -34.2 -9.2 82 140 A A H X S+ 0 0 3 -4,-2.1 4,-2.2 -5,-0.2 3,-0.2 0.928 111.2 49.7 -63.0 -48.4 -31.1 -32.8 -6.4 83 141 A K H X S+ 0 0 50 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.932 109.4 50.6 -57.1 -52.8 -34.1 -32.3 -4.1 84 142 A L H X S+ 0 0 113 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.788 111.9 48.3 -59.4 -29.4 -35.5 -35.8 -4.6 85 143 A K H < S+ 0 0 139 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.888 107.3 53.4 -80.2 -39.3 -32.2 -37.4 -3.9 86 144 A A H >< S+ 0 0 0 -4,-2.2 3,-0.8 1,-0.2 4,-0.4 0.943 110.3 50.5 -57.9 -45.6 -31.6 -35.4 -0.7 87 145 A E H >< S+ 0 0 77 -4,-2.3 2,-1.0 1,-0.3 3,-0.6 0.869 98.9 64.9 -60.9 -38.4 -35.0 -36.6 0.4 88 146 A G T 3< S+ 0 0 65 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.1 -0.061 88.9 75.7 -78.2 38.6 -34.1 -40.2 -0.3 89 147 A L T < 0 0 111 -2,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.757 360.0 360.0-112.5 -47.7 -31.4 -40.2 2.4 90 148 A E < 0 0 159 -3,-0.6 -1,-0.2 -4,-0.4 0, 0.0 -0.527 360.0 360.0-137.1 360.0 -33.3 -40.4 5.7 91 !* 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 92 59 B E 0 0 123 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 2.8 4.2 -27.1 29.7 93 60 B D > - 0 0 86 1,-0.1 4,-1.7 2,-0.0 5,-0.2 -0.590 360.0-121.2 -89.4 155.3 2.3 -24.0 28.6 94 61 B P H > S+ 0 0 33 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.902 110.9 32.6 -62.4 -52.0 -0.5 -24.5 25.9 95 62 B F H > S+ 0 0 108 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.882 113.6 62.3 -76.5 -39.6 0.9 -22.1 23.3 96 63 B T H > S+ 0 0 75 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.923 111.8 37.6 -49.1 -50.2 4.5 -22.9 24.3 97 64 B R H >X S+ 0 0 30 -4,-1.7 4,-2.0 2,-0.2 3,-0.9 0.962 114.4 55.9 -65.5 -54.1 4.0 -26.5 23.3 98 65 B Y H >X S+ 0 0 5 -4,-1.9 4,-1.5 1,-0.3 3,-1.0 0.928 106.2 49.3 -41.3 -65.0 1.8 -25.6 20.3 99 66 B A H 3X S+ 0 0 31 -4,-3.0 4,-1.4 1,-0.3 -1,-0.3 0.790 110.4 53.6 -47.0 -34.1 4.5 -23.4 18.7 100 67 B L H S+ 0 0 38 -4,-2.5 5,-2.8 2,-0.2 -2,-0.2 0.954 110.5 51.4 -60.8 -44.1 9.1 -29.7 14.6 105 72 B L H ><5S+ 0 0 37 -4,-1.8 3,-1.9 1,-0.2 -2,-0.2 0.921 108.5 48.5 -56.6 -50.2 6.8 -29.8 11.6 106 73 B K H 3<5S+ 0 0 136 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.892 113.1 51.3 -57.4 -38.1 8.8 -27.2 9.7 107 74 B H T 3<5S- 0 0 127 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.324 121.5-106.4 -84.8 12.6 11.9 -29.2 10.6 108 75 B D T < 5S+ 0 0 139 -3,-1.9 2,-1.3 1,-0.1 3,-0.2 0.590 78.6 130.7 74.6 12.3 10.5 -32.5 9.4 109 76 B N >< + 0 0 77 -5,-2.8 4,-2.2 1,-0.2 5,-0.2 -0.626 22.3 158.5 -93.9 75.2 9.8 -34.1 12.8 110 77 B A H > + 0 0 26 -2,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.903 68.4 49.0 -66.2 -44.6 6.2 -35.1 11.9 111 78 B S H > S+ 0 0 95 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.897 111.5 50.8 -63.7 -40.8 5.8 -37.9 14.5 112 79 B R H >> S+ 0 0 130 1,-0.2 4,-2.2 2,-0.2 3,-0.7 0.993 109.9 48.6 -59.6 -59.5 7.1 -35.7 17.2 113 80 B A H 3X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.3 -1,-0.2 0.834 108.1 56.5 -49.4 -36.3 4.6 -32.9 16.2 114 81 B L H 3X S+ 0 0 18 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.939 106.9 48.6 -61.1 -45.4 1.9 -35.5 16.2 115 82 B A H X S+ 0 0 70 -4,-1.3 3,-3.3 -5,-0.3 4,-1.2 0.994 102.5 51.5 -69.0 -68.6 -1.5 -34.2 23.6 120 87 B L H 3X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.3 7,-0.3 0.752 107.9 56.9 -39.5 -31.4 -2.8 -30.6 23.5 121 88 B V H 3< S+ 0 0 35 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.822 112.2 40.5 -72.5 -31.3 -6.1 -32.1 22.4 122 89 B E H << S+ 0 0 144 -3,-3.3 -2,-0.2 -4,-0.7 -1,-0.2 0.472 128.3 29.4 -97.1 -4.0 -6.1 -34.3 25.5 123 90 B T H < S+ 0 0 64 -4,-1.2 -3,-0.2 -3,-0.1 -2,-0.2 0.634 135.4 24.2-121.4 -34.4 -4.9 -31.7 28.0 124 91 B D >< + 0 0 44 -4,-2.1 3,-1.8 -5,-0.4 -2,-0.1 -0.601 65.0 161.2-130.0 68.9 -6.1 -28.5 26.5 125 92 B P T 3 S+ 0 0 51 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.704 74.7 63.3 -61.8 -17.2 -9.1 -29.5 24.3 126 93 B D T 3 S+ 0 0 98 -3,-0.1 2,-0.6 -6,-0.1 -5,-0.1 0.533 75.1 100.2 -86.7 -5.4 -10.2 -25.9 24.4 127 94 B Y < - 0 0 64 -3,-1.8 4,-0.4 -7,-0.3 3,-0.2 -0.729 58.2-164.4 -81.4 119.1 -7.2 -24.6 22.6 128 95 B V S >> S+ 0 0 22 -2,-0.6 4,-0.6 1,-0.2 3,-0.6 0.790 72.9 69.8 -79.4 -33.0 -8.4 -24.1 19.0 129 96 B G H >> S+ 0 0 23 1,-0.2 4,-1.0 2,-0.1 3,-0.6 0.881 91.9 67.0 -52.9 -38.7 -5.2 -23.7 16.9 130 97 B T H 3> S+ 0 0 0 1,-0.2 4,-2.5 -3,-0.2 5,-0.2 0.839 87.8 60.7 -49.8 -51.0 -4.5 -27.4 17.5 131 98 B Y H <> S+ 0 0 2 -3,-0.6 4,-2.0 -4,-0.4 -1,-0.2 0.801 101.0 51.0 -56.5 -37.1 -7.3 -29.1 15.6 132 99 B Y H S+ 0 0 19 -4,-3.5 5,-3.1 1,-0.2 -1,-0.2 0.880 108.4 50.8 -55.3 -39.4 -3.4 -36.9 10.4 139 106 B E H ><5S+ 0 0 30 -4,-2.2 3,-1.5 3,-0.2 -1,-0.2 0.891 107.5 50.7 -66.4 -42.3 -4.2 -36.7 6.7 140 107 B R H 3<5S+ 0 0 172 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.880 107.3 55.6 -64.8 -34.7 -0.5 -36.8 5.6 141 108 B L T 3<5S- 0 0 66 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.166 122.8-106.6 -84.2 21.1 -0.1 -39.8 7.8 142 109 B D T < 5S+ 0 0 147 -3,-1.5 -3,-0.2 1,-0.1 3,-0.2 0.772 85.2 125.7 61.4 30.0 -2.9 -41.6 6.0 143 110 B R >< + 0 0 84 -5,-3.1 4,-2.2 -6,-0.2 5,-0.2 -0.423 19.3 152.6-112.3 53.1 -5.2 -41.2 8.9 144 111 B T H > S+ 0 0 40 -5,-0.2 4,-3.1 2,-0.2 5,-0.2 0.864 71.5 52.7 -53.8 -39.7 -8.1 -39.5 7.1 145 112 B D H > S+ 0 0 121 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.982 111.7 44.8 -59.0 -57.2 -10.8 -40.9 9.5 146 113 B D H > S+ 0 0 56 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.818 113.5 53.1 -55.1 -33.1 -8.9 -39.5 12.5 147 114 B A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.964 109.0 46.6 -67.5 -51.9 -8.4 -36.3 10.6 148 115 B I H X S+ 0 0 42 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.893 113.5 51.2 -56.2 -42.5 -12.1 -35.9 9.8 149 116 B D H X S+ 0 0 112 -4,-2.8 4,-2.5 -5,-0.2 5,-0.2 0.934 107.5 51.6 -58.2 -51.9 -12.8 -36.7 13.5 150 117 B T H X S+ 0 0 15 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.829 107.9 52.4 -55.8 -38.0 -10.4 -34.1 14.7 151 118 B Y H X S+ 0 0 0 -4,-2.0 4,-4.2 2,-0.2 -1,-0.2 0.885 108.3 51.0 -68.8 -38.0 -12.0 -31.5 12.5 152 119 B A H X S+ 0 0 35 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.971 112.7 44.5 -62.0 -53.2 -15.4 -32.3 14.0 153 120 B Q H X S+ 0 0 80 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.841 118.3 46.5 -59.5 -33.1 -14.1 -32.0 17.5 154 121 B G H X S+ 0 0 0 -4,-1.9 4,-2.7 -5,-0.2 -2,-0.2 0.957 108.3 52.9 -72.0 -52.5 -12.4 -28.8 16.4 155 122 B I H X S+ 0 0 13 -4,-4.2 4,-1.7 1,-0.2 -2,-0.2 0.817 111.1 52.3 -50.3 -33.5 -15.4 -27.4 14.6 156 123 B E H < S+ 0 0 118 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.950 109.4 41.5 -76.0 -48.6 -17.2 -28.0 17.8 157 124 B V H >X>S+ 0 0 12 -4,-1.9 4,-2.8 1,-0.2 5,-1.3 0.855 112.2 64.8 -66.1 -26.7 -15.0 -26.2 20.3 158 125 B A H 3X5S+ 0 0 2 -4,-2.7 4,-0.7 1,-0.3 -2,-0.2 0.943 93.8 53.0 -59.6 -54.5 -14.8 -23.5 17.5 159 126 B R H 3<5S+ 0 0 151 -4,-1.7 -1,-0.3 1,-0.1 -2,-0.1 0.335 123.1 32.3 -69.1 14.2 -18.4 -22.4 17.5 160 127 B E H <45S+ 0 0 167 -3,-1.3 -2,-0.2 -4,-0.1 -1,-0.1 0.551 140.7 8.5-124.9 -66.0 -18.1 -21.8 21.2 161 128 B E H <5S+ 0 0 124 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.1 0.686 119.6 68.4 -94.0 -26.8 -14.6 -20.7 22.0 162 129 B G S <> - 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