==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TELOMERE BINDING 20-JUN-01 1H6O . COMPND 2 MOLECULE: TELOMERIC REPEAT BINDING FACTOR 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.FAIRALL,L.CHAPMAN,D.RHODES . 195 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11006.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 148 75.9 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 . 11 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 59.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.1 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 0 0 0 1 0 2 0 1 0 0 0 0 2 0 1 0 0 1 0 0 0 0 1 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 62 A E 0 0 147 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 45.1 1.7 17.6 68.3 2 63 A D + 0 0 91 1,-0.1 2,-0.3 2,-0.1 0, 0.0 0.194 360.0 170.7 -26.9 143.0 4.1 15.8 65.9 3 64 A A + 0 0 85 3,-0.0 2,-0.4 0, 0.0 -1,-0.1 -0.899 47.2 5.6-168.6 137.2 7.7 16.9 66.3 4 65 A G S > S+ 0 0 57 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 -0.085 111.8 72.3 85.0 -38.2 11.3 16.1 65.2 5 66 A L H > S+ 0 0 75 -2,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.741 94.3 59.4 -76.0 -25.0 10.2 13.4 62.8 6 67 A V H > S+ 0 0 75 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.938 102.4 49.2 -66.3 -49.6 9.0 16.4 60.8 7 68 A A H > S+ 0 0 57 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.947 112.8 48.5 -54.9 -48.2 12.6 17.8 60.7 8 69 A E H X S+ 0 0 62 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.805 107.0 56.5 -62.0 -31.8 13.7 14.4 59.5 9 70 A A H X S+ 0 0 56 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.928 104.7 52.6 -65.0 -44.7 10.9 14.3 56.9 10 71 A E H X S+ 0 0 130 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.892 103.9 55.7 -58.2 -43.5 12.2 17.6 55.4 11 72 A A H X S+ 0 0 62 -4,-1.7 4,-2.9 2,-0.2 -1,-0.2 0.883 109.5 46.8 -57.8 -40.0 15.7 16.2 55.1 12 73 A V H X S+ 0 0 50 -4,-1.4 4,-1.4 -3,-0.2 -1,-0.2 0.928 114.9 45.9 -67.5 -44.8 14.3 13.3 53.0 13 74 A A H X S+ 0 0 35 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.770 112.5 54.0 -68.5 -24.9 12.3 15.8 51.0 14 75 A A H X S+ 0 0 13 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.992 107.0 47.4 -70.1 -62.7 15.5 17.9 50.8 15 76 A G H X S+ 0 0 8 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.773 110.6 55.9 -48.5 -28.7 17.6 15.1 49.4 16 77 A W H X S+ 0 0 109 -4,-1.4 4,-2.5 -5,-0.2 3,-0.3 0.980 109.0 44.3 -67.9 -53.9 14.8 14.4 46.9 17 78 A M H X S+ 0 0 80 -4,-1.9 4,-3.3 1,-0.2 5,-0.3 0.891 109.1 58.0 -54.7 -45.9 14.8 18.0 45.6 18 79 A L H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.904 112.3 39.5 -53.0 -46.8 18.6 18.0 45.4 19 80 A D H X S+ 0 0 28 -4,-1.6 4,-1.9 -3,-0.3 -1,-0.2 0.847 114.3 53.9 -75.1 -33.6 18.7 15.0 43.1 20 81 A F H X S+ 0 0 54 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.909 113.3 42.8 -65.7 -43.4 15.7 16.2 41.1 21 82 A L H X S+ 0 0 19 -4,-3.3 4,-3.6 2,-0.2 5,-0.2 0.858 109.7 56.0 -71.9 -34.3 17.3 19.5 40.5 22 83 A C H X S+ 0 0 6 -4,-1.9 4,-1.5 -5,-0.3 -1,-0.2 0.916 110.7 47.1 -61.9 -38.2 20.7 17.9 39.7 23 84 A L H X S+ 0 0 2 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.902 113.8 46.8 -66.0 -44.3 18.8 15.9 37.1 24 85 A S H X S+ 0 0 31 -4,-2.1 4,-2.3 1,-0.2 5,-0.3 0.966 109.3 53.2 -62.6 -53.1 17.1 19.1 35.8 25 86 A L H X S+ 0 0 0 -4,-3.6 4,-1.4 1,-0.2 -1,-0.2 0.818 108.9 52.9 -51.7 -34.4 20.4 21.1 35.8 26 87 A C H X S+ 0 0 1 -4,-1.5 4,-2.7 -5,-0.2 5,-0.2 0.940 108.2 46.5 -70.1 -49.1 21.9 18.2 33.6 27 88 A R H X S+ 0 0 59 -4,-1.9 4,-3.5 2,-0.2 5,-0.2 0.950 112.7 49.2 -58.9 -51.2 19.2 18.2 30.9 28 89 A A H <>S+ 0 0 1 -4,-2.3 5,-3.0 1,-0.2 -1,-0.2 0.879 112.6 52.1 -55.2 -37.2 19.2 21.9 30.5 29 90 A F H ><5S+ 0 0 16 -4,-1.4 3,-1.1 -5,-0.3 -2,-0.2 0.947 113.8 39.0 -64.7 -52.3 22.9 21.7 30.3 30 91 A R H 3<5S+ 0 0 87 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.921 119.1 48.7 -65.3 -42.8 23.0 19.0 27.6 31 92 A D T 3<5S- 0 0 72 -4,-3.5 -1,-0.3 -5,-0.2 -2,-0.2 0.350 110.1-125.7 -79.7 6.7 20.1 20.6 25.8 32 93 A G T < 5 + 0 0 54 -3,-1.1 2,-1.0 -5,-0.2 -3,-0.2 0.876 49.8 159.9 50.3 48.3 21.8 24.0 26.0 33 94 A R >< + 0 0 93 -5,-3.0 4,-2.1 1,-0.2 5,-0.2 -0.589 10.6 175.6-100.3 70.8 18.9 25.8 27.7 34 95 A S H > S+ 0 0 94 -2,-1.0 2,-2.5 1,-0.2 4,-2.2 0.876 72.3 52.8 -36.9 -69.7 20.8 28.8 29.2 35 96 A E H 4 S+ 0 0 119 1,-0.2 -1,-0.2 2,-0.2 0, 0.0 -0.548 118.0 39.5 -74.4 81.1 18.0 30.8 30.6 36 97 A D H > S+ 0 0 72 -2,-2.5 4,-2.7 -11,-0.0 -1,-0.2 -0.152 105.2 60.2 170.6 -52.6 16.8 27.7 32.5 37 98 A F H X S+ 0 0 15 -4,-2.1 4,-2.5 -3,-0.5 5,-0.2 0.934 108.5 49.9 -59.9 -45.2 20.0 26.1 33.6 38 99 A R H X S+ 0 0 104 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.898 110.2 49.8 -59.2 -42.8 20.5 29.4 35.5 39 100 A R H > S+ 0 0 44 -5,-0.3 4,-1.3 1,-0.2 -2,-0.2 0.889 112.2 46.5 -63.4 -43.7 17.0 29.1 37.0 40 101 A T H X S+ 0 0 17 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.850 108.5 55.6 -68.3 -39.7 17.5 25.5 38.2 41 102 A R H X S+ 0 0 81 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.822 102.7 56.6 -63.8 -32.8 20.9 26.3 39.6 42 103 A N H X S+ 0 0 72 -4,-1.3 4,-2.2 -5,-0.2 -1,-0.2 0.947 111.4 42.8 -63.2 -47.3 19.4 29.1 41.7 43 104 A S H X S+ 0 0 52 -4,-1.3 4,-3.1 2,-0.2 5,-0.3 0.891 114.1 51.4 -65.5 -41.5 17.0 26.5 43.2 44 105 A A H X S+ 0 0 4 -4,-2.8 4,-3.7 2,-0.2 5,-0.2 0.983 112.0 46.1 -58.3 -57.5 19.8 24.0 43.6 45 106 A E H X S+ 0 0 92 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.856 114.9 48.0 -52.8 -41.3 22.0 26.5 45.4 46 107 A A H X S+ 0 0 63 -4,-2.2 4,-0.9 -5,-0.2 -1,-0.2 0.930 114.5 44.6 -67.4 -46.2 19.1 27.5 47.6 47 108 A I H < S+ 0 0 42 -4,-3.1 3,-0.4 1,-0.2 -2,-0.2 0.893 110.6 56.7 -64.8 -39.1 18.1 23.9 48.4 48 109 A I H >< S+ 0 0 34 -4,-3.7 3,-1.8 1,-0.3 -1,-0.2 0.908 100.0 55.9 -62.2 -41.6 21.8 23.1 49.0 49 110 A H H 3< S+ 0 0 160 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.848 95.9 71.8 -58.2 -27.4 22.2 25.8 51.7 50 111 A G T 3< S+ 0 0 58 -4,-0.9 2,-0.4 -3,-0.4 -1,-0.3 0.283 89.4 73.5 -73.4 17.1 19.3 23.9 53.3 51 112 A L < + 0 0 34 -3,-1.8 3,-0.1 1,-0.1 -1,-0.0 -0.995 46.9 176.0-135.5 129.8 21.6 21.1 54.2 52 113 A S S S+ 0 0 135 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.428 75.9 36.0-108.3 -2.7 24.3 21.0 56.9 53 114 A S - 0 0 98 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.982 69.9-164.7-147.7 148.3 25.3 17.3 56.5 54 115 A L - 0 0 51 -2,-0.3 -3,-0.0 -3,-0.1 0, 0.0 -0.996 16.6-129.8-147.9 142.1 25.7 15.2 53.4 55 116 A T > - 0 0 76 -2,-0.3 4,-1.7 1,-0.1 5,-0.2 -0.074 41.5-101.7 -71.2 177.9 26.0 11.5 52.3 56 117 A A H > S+ 0 0 87 2,-0.2 4,-1.5 1,-0.2 44,-0.1 0.889 123.8 51.5 -72.3 -36.8 28.7 10.5 49.9 57 118 A C H > S+ 0 0 71 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.889 108.9 51.6 -64.4 -40.1 26.2 10.4 47.0 58 119 A Q H > S+ 0 0 31 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.878 106.7 51.2 -65.1 -42.1 25.0 13.9 47.8 59 120 A L H X S+ 0 0 61 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.860 108.3 54.5 -64.7 -33.1 28.5 15.4 47.8 60 121 A R H X S+ 0 0 68 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.961 110.1 46.9 -63.3 -46.9 28.9 13.7 44.5 61 122 A T H >X S+ 0 0 4 -4,-2.1 4,-2.1 2,-0.2 3,-0.6 0.972 110.4 50.5 -55.7 -62.5 25.8 15.5 43.3 62 123 A I H 3X S+ 0 0 14 -4,-2.9 4,-3.0 1,-0.3 3,-0.2 0.889 110.7 49.2 -43.3 -53.2 26.7 18.9 44.7 63 124 A Y H 3X S+ 0 0 91 -4,-2.1 4,-3.7 1,-0.2 -1,-0.3 0.853 107.6 53.6 -59.7 -37.5 30.1 18.9 43.0 64 125 A I H X S+ 0 0 46 -4,-1.9 3,-2.7 -5,-0.3 4,-0.5 0.985 110.6 40.4 -63.1 -61.8 31.6 26.6 36.3 71 132 A I H >< S+ 0 0 0 -4,-1.9 3,-0.8 1,-0.3 4,-0.3 0.788 106.9 68.1 -60.2 -22.3 32.1 25.5 32.7 72 133 A A T 3< S+ 0 0 50 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.578 107.2 38.7 -70.9 -8.1 28.8 27.1 32.0 73 134 A A T X4 S+ 0 0 29 -3,-2.7 3,-3.2 -4,-0.1 -1,-0.3 0.366 82.3 117.5-119.6 -1.7 30.5 30.3 32.7 74 135 A G T << S+ 0 0 2 -3,-0.8 15,-0.3 -4,-0.5 -2,-0.1 0.770 79.5 42.2 -34.0 -54.9 33.8 29.5 31.0 75 136 A K T 3 S+ 0 0 96 -4,-0.3 2,-1.2 1,-0.1 -1,-0.3 0.474 92.8 100.3 -77.1 -3.2 33.7 32.2 28.3 76 137 A T < 0 0 82 -3,-3.2 -1,-0.1 3,-0.0 -3,-0.0 -0.711 360.0 360.0 -88.4 92.4 32.4 34.6 31.0 77 138 A L 0 0 51 -2,-1.2 -2,-0.0 3,-0.1 10,-0.0 -0.775 360.0 360.0-116.0 360.0 35.6 36.6 31.9 78 ! 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 79 141 A Q 0 0 113 0, 0.0 3,-0.2 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 126.5 34.4 39.5 35.2 80 142 A F - 0 0 29 1,-0.2 2,-0.7 2,-0.1 7,-0.1 0.202 360.0 -42.2 -66.6-163.0 34.9 36.0 36.4 81 143 A E > > - 0 0 43 5,-0.4 3,-1.2 1,-0.1 5,-0.5 -0.584 52.9-155.8 -76.0 109.6 33.9 34.8 39.9 82 144 A N T 3 5S+ 0 0 152 -2,-0.7 -1,-0.1 1,-0.2 3,-0.1 0.759 82.3 69.8 -50.0 -44.5 34.9 37.5 42.4 83 145 A D T 3 5S+ 0 0 129 1,-0.2 2,-0.4 2,-0.1 -1,-0.2 0.779 113.6 28.8 -51.3 -29.6 35.2 35.4 45.6 84 146 A E T < 5S- 0 0 77 -3,-1.2 2,-2.8 2,-0.2 -1,-0.2 -0.979 79.7-136.4-136.8 118.8 38.3 33.7 44.1 85 147 A R T 5S+ 0 0 99 -2,-0.4 2,-0.3 -3,-0.1 -3,-0.1 -0.267 73.0 106.5 -73.9 57.2 40.6 35.5 41.6 86 148 A I S - 0 0 5 -2,-0.3 4,-2.1 -7,-0.1 3,-0.3 -0.581 30.7-113.2 -86.6 151.3 39.0 31.9 36.0 88 150 A P H > S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.891 117.3 45.7 -45.6 -54.6 35.8 29.7 35.8 89 151 A L H > S+ 0 0 2 -15,-0.3 4,-2.1 1,-0.2 5,-0.1 0.870 110.4 56.0 -62.4 -32.8 37.3 26.9 33.7 90 152 A E H > S+ 0 0 9 -3,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.917 110.7 44.4 -62.3 -41.3 40.3 27.0 36.1 91 153 A S H X S+ 0 0 4 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.808 110.8 53.5 -70.9 -33.5 37.9 26.4 39.0 92 154 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.846 106.0 55.1 -71.1 -30.5 36.1 23.8 37.0 93 155 A L H X S+ 0 0 25 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.911 105.6 51.7 -67.9 -40.2 39.4 22.1 36.6 94 156 A M H < S+ 0 0 98 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.914 112.1 44.6 -62.3 -45.4 40.0 22.0 40.3 95 157 A I H >X S+ 0 0 22 -4,-1.8 3,-2.0 1,-0.2 4,-1.4 0.948 108.6 57.9 -64.8 -47.8 36.6 20.4 41.1 96 158 A W H >< S+ 0 0 0 -4,-2.2 3,-0.6 1,-0.3 -1,-0.2 0.882 102.7 52.5 -48.6 -50.3 36.9 17.8 38.3 97 159 A G T 3< S+ 0 0 38 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.1 0.109 115.8 43.0 -78.0 24.6 40.1 16.4 39.6 98 160 A S T <4 S+ 0 0 87 -3,-2.0 -1,-0.2 -5,-0.0 -2,-0.2 0.447 77.6 112.6-140.5 -18.4 38.5 15.9 43.0 99 161 A I S << S- 0 0 4 -4,-1.4 2,-1.7 -3,-0.6 -39,-0.1 -0.419 81.6-108.9 -62.3 137.0 35.0 14.5 42.3 100 162 A E S S+ 0 0 169 -44,-0.1 2,-0.3 -2,-0.0 -1,-0.1 -0.540 77.3 120.5 -69.6 89.1 34.9 10.9 43.7 101 163 A K - 0 0 35 -2,-1.7 2,-0.0 -5,-0.1 -2,-0.0 -0.995 69.5 -87.7-155.6 151.6 34.8 9.3 40.2 102 164 A E - 0 0 64 -2,-0.3 2,-1.6 1,-0.1 5,-0.1 -0.306 33.1-131.6 -60.7 136.0 36.7 6.9 38.1 103 165 A H + 0 0 109 4,-0.1 -1,-0.1 3,-0.1 -6,-0.0 -0.563 44.6 169.3 -89.4 71.9 39.5 8.5 36.0 104 166 A D > - 0 0 88 -2,-1.6 4,-1.5 1,-0.1 5,-0.1 0.191 55.4 -88.7 -67.1-166.5 38.4 6.8 32.7 105 167 A K H > S+ 0 0 76 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.902 132.3 52.7 -73.1 -41.4 39.7 7.6 29.2 106 168 A L H > S+ 0 0 24 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.915 103.4 56.6 -59.2 -45.3 36.9 10.2 29.1 107 169 A H H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.945 108.6 46.4 -51.6 -53.0 37.9 11.7 32.4 108 170 A E H X S+ 0 0 79 -4,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.869 111.7 52.1 -59.1 -37.7 41.4 12.4 31.0 109 171 A E H X S+ 0 0 82 -4,-1.9 4,-1.9 1,-0.2 3,-0.5 0.953 109.6 48.1 -63.6 -50.2 40.0 13.8 27.8 110 172 A I H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.841 109.7 55.1 -60.0 -33.4 37.7 16.2 29.7 111 173 A Q H X S+ 0 0 39 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.819 109.4 44.0 -71.0 -32.7 40.7 17.3 31.8 112 174 A N H X S+ 0 0 57 -4,-1.5 4,-2.4 -3,-0.5 5,-0.2 0.790 112.2 52.8 -83.3 -29.1 43.0 18.2 28.9 113 175 A L H X S+ 0 0 10 -4,-1.9 4,-3.7 2,-0.2 5,-0.3 0.975 113.7 42.8 -67.2 -54.3 40.3 20.0 27.0 114 176 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.940 113.0 53.8 -54.1 -51.7 39.4 22.1 30.1 115 177 A K H < S+ 0 0 46 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.938 117.9 35.6 -48.2 -54.7 43.1 22.7 30.8 116 178 A I H >X S+ 0 0 20 -4,-2.4 3,-2.2 1,-0.2 4,-1.7 0.946 114.3 53.5 -69.6 -49.1 43.7 23.9 27.3 117 179 A Q H 3X S+ 0 0 14 -4,-3.7 4,-2.9 1,-0.3 5,-0.3 0.822 95.6 70.7 -56.5 -31.3 40.5 25.8 26.7 118 180 A A H 3X S+ 0 0 2 -4,-2.6 4,-0.5 -5,-0.3 -1,-0.3 0.778 106.6 38.7 -57.1 -24.9 41.1 27.7 29.9 119 181 A I H <> S+ 0 0 5 -3,-2.2 4,-2.0 -4,-0.4 3,-0.5 0.891 113.2 55.0 -88.3 -48.1 43.9 29.5 28.0 120 182 A A H X S+ 0 0 19 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.803 101.0 59.1 -55.4 -36.6 42.0 29.7 24.7 121 183 A V H X S+ 0 0 6 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.935 107.6 45.4 -62.8 -43.5 39.1 31.5 26.3 122 184 A C H X>S+ 0 0 1 -4,-0.5 5,-2.5 -3,-0.5 4,-0.6 0.907 111.3 53.8 -63.1 -42.5 41.3 34.3 27.5 123 185 A M H <5S+ 0 0 19 -4,-2.0 -1,-0.2 3,-0.2 -2,-0.2 0.834 110.6 48.3 -60.1 -34.5 43.0 34.4 24.1 124 186 A E H <5S+ 0 0 103 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.969 105.8 53.3 -70.8 -55.0 39.5 34.8 22.6 125 187 A N H <5S- 0 0 69 -4,-2.8 -1,-0.2 1,-0.1 -2,-0.2 0.626 118.5-115.8 -57.6 -7.9 38.4 37.6 24.9 126 188 A G T <5S+ 0 0 45 -4,-0.6 2,-0.9 -5,-0.2 -3,-0.2 0.667 76.8 130.0 81.9 17.2 41.6 39.2 23.7 127 189 A N >< + 0 0 74 -5,-2.5 4,-2.0 -6,-0.2 -1,-0.2 -0.786 19.1 161.1-106.8 88.9 43.2 39.2 27.1 128 190 A F H > + 0 0 49 -2,-0.9 4,-1.3 2,-0.2 -1,-0.2 0.688 70.0 64.0 -82.3 -18.5 46.6 37.7 26.5 129 191 A K H > S+ 0 0 71 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.871 111.9 38.9 -70.0 -36.4 48.2 39.1 29.8 130 192 A E H > S+ 0 0 36 2,-0.2 4,-3.5 1,-0.2 5,-0.4 0.922 106.3 63.5 -75.7 -46.9 45.7 36.9 31.6 131 193 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.3 -2,-0.2 0.841 108.2 45.6 -43.6 -36.3 46.1 34.1 29.1 132 194 A E H X S+ 0 0 47 -4,-1.3 4,-2.6 2,-0.2 -1,-0.3 0.889 110.1 52.0 -76.0 -41.0 49.7 34.0 30.4 133 195 A E H X S+ 0 0 112 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.954 112.3 46.4 -60.4 -48.8 48.6 34.2 34.0 134 196 A V H X S+ 0 0 0 -4,-3.5 4,-1.8 1,-0.2 5,-0.3 0.960 111.5 51.6 -57.8 -50.9 46.3 31.3 33.5 135 197 A F H X S+ 0 0 24 -4,-2.0 4,-2.4 -5,-0.4 -1,-0.2 0.879 107.3 54.3 -52.7 -41.4 49.0 29.4 31.7 136 198 A E H < S+ 0 0 60 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.943 108.7 47.0 -58.1 -51.5 51.4 30.1 34.6 137 199 A R H < S+ 0 0 116 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.755 117.5 41.8 -63.6 -29.7 49.0 28.6 37.2 138 200 A I H < S+ 0 0 34 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.771 126.9 15.5 -90.5 -29.5 48.2 25.4 35.2 139 201 A F < + 0 0 30 -4,-2.4 7,-0.0 -5,-0.3 0, 0.0 -0.539 62.5 118.1-126.8-166.5 51.8 24.7 33.9 140 202 A G + 0 0 69 -2,-0.2 -1,-0.1 -3,-0.0 -4,-0.0 0.856 57.6 82.5 105.1 56.3 55.4 25.8 34.8 141 203 A D 0 0 156 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.144 360.0 360.0 177.7 68.3 57.5 22.8 35.9 142 204 A P 0 0 180 0, 0.0 4,-0.0 0, 0.0 5,-0.0 0.851 360.0 360.0 -55.5 360.0 59.0 20.7 33.0 143 ! 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 0.0 144 212 A S 0 0 126 0, 0.0 -32,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 91.1 51.5 18.0 28.9 145 213 A K + 0 0 51 1,-0.2 4,-0.1 2,-0.1 0, 0.0 -0.108 360.0 133.0 -41.0 105.5 52.1 20.3 25.8 146 214 A L > + 0 0 28 2,-0.1 4,-2.2 3,-0.1 5,-0.3 0.703 55.8 58.0-124.2 -62.1 53.7 23.4 27.4 147 215 A L T 4 S+ 0 0 87 1,-0.2 4,-0.3 2,-0.2 -2,-0.1 0.765 115.3 49.4 -47.0 -24.8 56.8 24.8 25.5 148 216 A M T >> S+ 0 0 95 2,-0.2 3,-1.9 1,-0.1 4,-1.1 0.955 104.9 52.4 -79.7 -58.1 54.3 25.0 22.7 149 217 A I H 3> S+ 0 0 7 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.816 102.7 59.1 -51.2 -37.5 51.4 26.8 24.4 150 218 A I H 3X S+ 0 0 87 -4,-2.2 4,-1.7 1,-0.2 -1,-0.3 0.813 101.4 58.1 -63.1 -25.8 53.7 29.6 25.6 151 219 A S H <> S+ 0 0 69 -3,-1.9 4,-2.4 -4,-0.3 6,-0.3 0.887 106.0 48.3 -68.6 -41.0 54.5 30.1 21.9 152 220 A Q H X>S+ 0 0 12 -4,-1.1 5,-1.7 -3,-0.2 4,-1.2 0.960 110.7 47.2 -63.9 -56.6 50.7 30.7 21.1 153 221 A K H ><5S+ 0 0 13 -4,-2.0 3,-0.7 1,-0.2 -1,-0.2 0.930 114.8 50.4 -52.3 -43.4 50.1 33.2 23.9 154 222 A D H 3<5S+ 0 0 74 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.919 118.2 35.8 -60.0 -48.7 53.3 35.0 22.8 155 223 A T H 3<5S- 0 0 92 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.396 101.7-127.0 -87.1 2.1 52.3 35.2 19.1 156 224 A F T <<5 + 0 0 121 -4,-1.2 2,-2.6 -3,-0.7 -3,-0.2 0.866 51.5 163.5 50.6 30.6 48.6 35.7 19.9 157 225 A H < + 0 0 92 -5,-1.7 -1,-0.2 -6,-0.3 -4,-0.1 -0.434 7.0 171.1 -80.2 63.3 48.4 32.7 17.5 158 226 A S + 0 0 28 -2,-2.6 2,-0.2 -3,-0.2 -1,-0.2 0.231 49.0 65.9 -63.7 11.0 44.9 32.2 18.7 159 227 A F + 0 0 161 1,-0.1 -1,-0.1 -7,-0.1 0, 0.0 -0.680 64.4 73.8-144.7 94.1 44.0 29.5 16.1 160 228 A F + 0 0 107 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.539 58.8 86.6-176.6 16.0 45.3 25.9 15.6 161 229 A Q - 0 0 73 2,-0.1 -1,-0.2 1,-0.0 0, 0.0 -0.909 60.5-132.1-126.8 153.8 44.5 22.9 17.8 162 230 A H S S+ 0 0 126 -2,-0.3 2,-0.9 1,-0.2 -1,-0.0 0.194 86.2 98.2 -82.8 10.3 41.7 20.3 18.0 163 231 A F + 0 0 57 4,-0.1 -1,-0.2 -51,-0.0 -2,-0.1 -0.425 66.7 169.2 -94.0 56.1 41.3 20.9 21.8 164 232 A S > - 0 0 33 -2,-0.9 4,-1.5 1,-0.1 -47,-0.1 -0.228 50.6-114.2 -70.1 158.3 38.4 23.1 20.7 165 233 A Y H > S+ 0 0 41 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.911 118.2 49.1 -59.2 -42.9 35.8 24.7 22.9 166 234 A N H > S+ 0 0 105 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.849 105.2 55.0 -69.0 -33.1 33.1 22.6 21.3 167 235 A H H > S+ 0 0 72 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.844 109.1 52.8 -66.1 -27.8 35.1 19.3 21.6 168 236 A M H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.952 108.9 45.6 -70.8 -49.3 35.2 20.3 25.3 169 237 A M H X S+ 0 0 28 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.896 112.2 53.6 -61.8 -39.2 31.4 20.7 25.6 170 238 A E H X S+ 0 0 112 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.983 109.4 45.4 -58.5 -60.2 30.8 17.5 23.7 171 239 A K H X S+ 0 0 63 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.873 116.6 47.1 -51.4 -40.5 33.0 15.4 26.0 172 240 A I H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.908 111.2 50.6 -70.6 -38.8 31.4 17.0 29.0 173 241 A K H X S+ 0 0 74 -4,-3.1 4,-1.0 1,-0.2 -2,-0.2 0.863 107.5 54.1 -65.7 -34.3 27.9 16.6 27.6 174 242 A S H X S+ 0 0 43 -4,-2.7 4,-0.6 1,-0.2 3,-0.2 0.869 109.2 48.4 -66.9 -35.6 28.6 12.9 27.0 175 243 A Y H >X S+ 0 0 17 -4,-1.5 4,-1.6 -5,-0.2 3,-0.9 0.862 103.6 60.6 -70.9 -37.2 29.6 12.5 30.6 176 244 A V H 3X S+ 0 0 1 -4,-2.0 4,-4.1 1,-0.2 -1,-0.2 0.797 96.4 63.7 -60.7 -27.3 26.5 14.3 31.7 177 245 A N H 3X S+ 0 0 80 -4,-1.0 4,-2.3 -3,-0.2 -1,-0.2 0.815 100.6 48.4 -67.6 -35.1 24.5 11.5 30.1 178 246 A Y H < S+ 0 0 75 -4,-2.3 3,-2.4 -3,-0.2 4,-0.4 0.966 107.4 62.0 -71.4 -53.1 20.7 8.4 33.3 182 250 A E H 3< S+ 0 0 122 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.726 114.8 36.4 -44.1 -28.0 22.0 7.2 36.7 183 251 A K T 3< S+ 0 0 19 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 -0.142 87.0 96.9-122.3 38.2 19.6 9.6 38.4 184 252 A S S < S+ 0 0 39 -3,-2.4 -2,-0.1 1,-0.1 -1,-0.1 0.576 86.3 49.3 -98.1 -16.4 16.5 9.5 36.1 185 253 A S S S+ 0 0 82 -4,-0.4 -1,-0.1 -3,-0.2 -2,-0.1 0.313 81.6 132.9-100.6 1.9 14.7 7.0 38.2 186 254 A T S >> S- 0 0 31 -167,-0.1 4,-1.8 4,-0.1 3,-0.5 -0.306 72.2-103.2 -54.6 136.6 15.5 9.1 41.3 187 255 A F H >> S+ 0 0 94 1,-0.2 4,-2.2 2,-0.2 3,-0.9 0.808 109.1 48.6 -26.4 -90.6 12.2 9.4 43.2 188 256 A L H 3> S+ 0 0 57 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.692 115.9 41.6 -26.1 -55.5 10.8 12.9 42.5 189 257 A M H <> S+ 0 0 42 -3,-0.5 4,-2.2 2,-0.2 -1,-0.3 0.908 114.3 50.5 -68.0 -44.2 11.1 12.9 38.7 190 258 A K H < S+ 0 0 71 -4,-1.7 3,-0.6 1,-0.3 -1,-0.2 0.879 104.1 48.3 -53.4 -39.7 3.6 9.0 36.5 195 263 A V H 3< S+ 0 0 124 -4,-1.3 2,-0.7 1,-0.3 -1,-0.3 0.829 94.6 73.0 -70.7 -31.4 1.2 11.9 37.1 196 264 A V T 3< 0 0 118 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.1 0.097 360.0 360.0 -73.1 31.3 1.8 13.2 33.6 197 265 A E < 0 0 202 -2,-0.7 -2,-0.1 -3,-0.6 -3,-0.1 -0.126 360.0 360.0-154.2 360.0 -0.3 10.2 32.6