==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/DNA 09-SEP-10 3OSF . COMPND 2 MOLECULE: MYB21; . SOURCE 2 ORGANISM_SCIENTIFIC: TRICHOMONAS VAGINALIS; . AUTHOR I.JIANG,C.K.TSAI,S.C.CHEN,S.H.WANG,I.AMIRASLANOV,C.F.CHANG,W . 206 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13475.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 65.0 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 . 7 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 48.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.4 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 4 0 0 0 0 2 0 0 0 6 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 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 48 A K 0 0 268 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -13.3 12.6 -3.2 19.6 2 49 A K - 0 0 189 2,-0.0 2,-1.0 0, 0.0 0, 0.0 -0.932 360.0-166.4-110.2 119.8 9.5 -0.8 19.5 3 50 A Q - 0 0 78 -2,-0.5 2,-0.1 2,-0.0 0, 0.0 -0.743 18.8-165.9-101.2 84.2 10.0 2.8 18.5 4 51 A K - 0 0 177 -2,-1.0 2,-0.2 1,-0.1 -2,-0.0 -0.446 23.6-108.1 -75.4 143.0 6.6 4.3 19.6 5 52 A F - 0 0 30 -2,-0.1 -1,-0.1 4,-0.1 -2,-0.0 -0.457 30.9-144.7 -69.4 134.2 5.6 7.8 18.4 6 53 A T > - 0 0 56 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.524 29.3-104.3 -90.0 165.7 5.7 10.6 21.0 7 54 A P H > S+ 0 0 94 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.890 124.1 54.6 -56.2 -37.5 3.2 13.4 21.1 8 55 A E H > S+ 0 0 116 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.945 108.5 46.7 -60.4 -49.8 6.0 15.6 19.7 9 56 A E H > S+ 0 0 25 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.893 108.8 55.8 -59.9 -42.0 6.5 13.3 16.8 10 57 A D H X S+ 0 0 23 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.939 107.0 49.2 -56.8 -48.0 2.8 13.1 16.1 11 58 A E H X S+ 0 0 85 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.921 112.8 47.3 -59.1 -44.2 2.5 16.9 15.9 12 59 A M H X S+ 0 0 93 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.916 109.8 53.2 -61.0 -44.3 5.5 17.0 13.4 13 60 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.935 109.0 50.3 -55.9 -48.4 3.9 14.2 11.4 14 61 A K H X S+ 0 0 89 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.961 112.5 45.4 -54.2 -56.2 0.7 16.2 11.2 15 62 A R H X S+ 0 0 156 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.920 112.3 52.3 -51.6 -47.6 2.6 19.3 10.0 16 63 A A H X S+ 0 0 6 -4,-3.2 4,-3.5 1,-0.2 5,-0.2 0.884 111.8 45.7 -60.2 -39.9 4.6 17.2 7.5 17 64 A V H X S+ 0 0 18 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.906 109.7 53.9 -70.7 -40.6 1.4 15.7 6.1 18 65 A A H < S+ 0 0 91 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.857 119.1 38.0 -57.7 -33.2 -0.3 19.2 6.0 19 66 A Q H < S+ 0 0 145 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.913 131.7 21.4 -86.4 -46.1 2.8 20.2 4.0 20 67 A H H >< S- 0 0 52 -4,-3.5 3,-1.2 1,-0.3 2,-0.3 0.346 84.8-154.9-112.2 4.7 3.6 17.2 1.8 21 68 A G T 3< S- 0 0 37 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.1 -0.397 71.0 -11.0 63.5-116.6 0.3 15.3 1.7 22 69 A S T 3 S+ 0 0 96 -2,-0.3 2,-1.4 1,-0.1 -1,-0.2 -0.009 93.5 120.6-110.8 28.3 0.8 11.6 1.0 23 70 A D <> + 0 0 70 -3,-1.2 4,-2.6 1,-0.2 5,-0.2 -0.674 35.5 175.8 -91.5 83.8 4.5 11.7 -0.0 24 71 A W H > S+ 0 0 41 -2,-1.4 4,-3.2 1,-0.2 5,-0.2 0.866 73.0 55.8 -65.1 -39.2 5.7 9.4 2.7 25 72 A K H > S+ 0 0 175 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.938 114.1 42.0 -53.7 -47.3 9.3 9.2 1.6 26 73 A M H 4 S+ 0 0 79 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.890 114.6 49.6 -70.3 -40.8 9.5 13.0 1.8 27 74 A I H >< S+ 0 0 0 -4,-2.6 3,-1.1 1,-0.2 4,-0.3 0.914 109.9 52.5 -63.9 -42.7 7.6 13.2 5.1 28 75 A A H >< S+ 0 0 7 -4,-3.2 3,-2.6 1,-0.2 6,-0.4 0.899 99.7 62.1 -57.8 -43.9 9.8 10.5 6.6 29 76 A A T 3< S+ 0 0 83 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.654 89.1 70.7 -63.2 -14.0 13.0 12.4 5.6 30 77 A T T < S+ 0 0 74 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.665 94.7 67.2 -75.6 -14.9 11.8 15.2 7.9 31 78 A F < - 0 0 16 -3,-2.6 3,-0.1 -4,-0.3 -22,-0.0 -0.802 68.6-155.7-100.3 146.8 12.6 12.9 10.8 32 79 A P S S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.696 98.6 40.0 -81.5 -13.2 16.1 11.8 11.6 33 80 A N S S+ 0 0 96 -5,-0.1 2,-0.4 2,-0.1 -4,-0.1 0.219 101.1 69.3-125.1 -0.8 14.5 8.8 13.2 34 81 A R - 0 0 18 -6,-0.4 -3,-0.3 -3,-0.1 2,-0.2 -0.974 55.3-144.2-139.0 142.0 11.6 7.4 11.1 35 82 A N > - 0 0 84 -2,-0.4 4,-2.0 1,-0.1 5,-0.2 -0.476 36.5 -99.8 -98.6 174.0 11.0 5.7 7.8 36 83 A A H > S+ 0 0 27 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.919 120.9 52.3 -59.5 -46.9 8.2 6.0 5.3 37 84 A R H > S+ 0 0 157 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.908 108.6 51.7 -56.7 -43.7 6.3 2.9 6.6 38 85 A Q H > S+ 0 0 47 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.912 115.0 40.3 -62.0 -46.0 6.4 4.2 10.2 39 86 A C H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.892 115.0 52.3 -68.6 -42.7 4.9 7.6 9.3 40 87 A R H X S+ 0 0 103 -4,-3.1 4,-2.6 -5,-0.2 -2,-0.2 0.943 113.8 43.5 -59.4 -48.8 2.4 6.1 6.8 41 88 A D H X S+ 0 0 52 -4,-2.8 4,-2.2 -5,-0.2 5,-0.3 0.891 112.4 52.2 -60.0 -44.6 1.2 3.6 9.5 42 89 A R H X>S+ 0 0 59 -4,-2.0 5,-1.7 -5,-0.2 4,-1.5 0.904 115.6 40.9 -65.3 -41.1 1.1 6.2 12.3 43 90 A W H <>S+ 0 0 59 -4,-2.4 5,-2.6 3,-0.2 4,-0.3 0.966 116.6 47.9 -66.9 -54.9 -1.0 8.6 10.2 44 91 A K H <5S+ 0 0 111 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.780 124.2 29.0 -60.6 -34.0 -3.3 5.9 8.6 45 92 A N H <5S+ 0 0 11 -4,-2.2 -1,-0.2 -5,-0.2 41,-0.2 0.646 137.3 10.8-107.1 -15.5 -4.1 4.1 11.9 46 93 A Y T <5S+ 0 0 81 -4,-1.5 -3,-0.2 -5,-0.3 -2,-0.1 0.681 123.4 38.6-131.5 -37.7 -3.8 6.9 14.5 47 94 A L T - 0 0 61 -2,-0.1 4,-2.1 -3,-0.1 3,-0.2 -0.459 20.8-112.5 -81.2 159.5 -19.6 0.9 22.2 58 105 A A H > S+ 0 0 47 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.877 120.6 54.4 -54.1 -37.8 -21.6 -2.2 23.1 59 106 A E H > S+ 0 0 141 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.852 104.7 52.4 -71.7 -32.4 -23.1 -2.0 19.6 60 107 A E H > S+ 0 0 36 2,-0.2 4,-2.8 -3,-0.2 -1,-0.2 0.925 108.6 50.3 -65.2 -47.7 -19.7 -2.0 18.0 61 108 A D H X S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.918 110.6 50.5 -51.8 -45.2 -18.7 -5.1 19.8 62 109 A A H X S+ 0 0 21 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.925 110.4 48.9 -63.3 -44.3 -21.9 -6.7 18.7 63 110 A L H X S+ 0 0 46 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.907 110.2 52.2 -61.3 -41.4 -21.2 -5.7 15.1 64 111 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.959 110.3 46.2 -60.9 -49.7 -17.7 -7.1 15.4 65 112 A V H X S+ 0 0 8 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.928 115.3 48.7 -60.4 -42.3 -18.9 -10.5 16.7 66 113 A Q H X S+ 0 0 86 -4,-2.5 4,-1.4 -5,-0.2 -1,-0.2 0.923 111.8 48.3 -56.9 -48.1 -21.5 -10.6 13.9 67 114 A K H X S+ 0 0 18 -4,-2.9 4,-3.4 1,-0.2 5,-0.3 0.824 108.4 53.6 -70.0 -29.8 -19.0 -9.7 11.2 68 115 A I H X S+ 0 0 6 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.924 106.9 51.0 -71.2 -41.7 -16.5 -12.3 12.3 69 116 A Q H < S+ 0 0 49 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.852 118.5 42.3 -57.6 -32.4 -19.1 -15.0 12.1 70 117 A E H < S+ 0 0 108 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.912 132.2 14.8 -83.3 -46.0 -19.8 -13.6 8.6 71 118 A Y H < S- 0 0 71 -4,-3.4 3,-0.3 1,-0.3 -3,-0.2 0.480 88.2-141.7-112.2 -6.1 -16.3 -13.0 7.2 72 119 A G S < S- 0 0 32 -4,-2.6 -1,-0.3 -5,-0.3 2,-0.3 -0.499 70.1 -19.6 70.9-145.4 -13.9 -14.8 9.5 73 120 A R S S+ 0 0 166 -2,-0.2 2,-1.4 1,-0.1 -1,-0.2 -0.098 90.2 129.3 -92.7 36.9 -10.6 -13.1 10.2 74 121 A Q > + 0 0 100 -3,-0.3 4,-2.6 -2,-0.3 5,-0.2 -0.648 31.1 174.8 -90.4 81.1 -10.7 -10.7 7.3 75 122 A W H > S+ 0 0 33 -2,-1.4 4,-2.8 1,-0.2 -1,-0.2 0.828 71.4 49.7 -64.0 -39.8 -10.0 -7.5 9.3 76 123 A A H > S+ 0 0 63 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.944 113.5 47.6 -66.8 -45.4 -9.8 -5.0 6.5 77 124 A I H >4 S+ 0 0 69 1,-0.2 3,-0.8 2,-0.2 4,-0.2 0.941 115.0 46.5 -56.8 -47.0 -13.0 -6.2 5.0 78 125 A I H >< S+ 0 0 0 -4,-2.6 3,-2.0 1,-0.2 -2,-0.2 0.879 103.2 62.9 -63.9 -37.2 -14.6 -6.1 8.4 79 126 A A H >< S+ 0 0 11 -4,-2.8 3,-2.3 1,-0.3 6,-0.3 0.718 82.8 79.1 -66.0 -20.4 -13.3 -2.6 9.2 80 127 A K T << S+ 0 0 178 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.758 90.9 55.1 -54.7 -24.5 -15.2 -1.2 6.2 81 128 A F T < S+ 0 0 85 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.363 95.1 72.9 -93.9 5.3 -18.3 -1.3 8.6 82 129 A F S X S- 0 0 3 -3,-2.3 3,-2.3 3,-0.2 -1,-0.2 -0.845 72.2-154.3-123.3 94.5 -16.6 0.8 11.3 83 130 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.2 0, 0.0 -33,-0.0 0.745 88.4 23.7 -40.5 -53.9 -16.4 4.4 10.2 84 131 A G T 3 S+ 0 0 10 -33,-0.1 -32,-2.9 2,-0.0 2,-0.3 0.005 108.2 85.4-106.6 27.8 -13.3 5.6 12.3 85 132 A R < - 0 0 25 -3,-2.3 -3,-0.2 -6,-0.3 2,-0.2 -0.951 57.4-154.6-127.7 149.0 -11.6 2.3 12.9 86 133 A T >> - 0 0 15 -2,-0.3 4,-2.2 -41,-0.2 3,-0.6 -0.625 42.2 -89.0-112.7 177.8 -9.1 0.4 10.8 87 134 A D H 3> S+ 0 0 49 1,-0.3 4,-2.6 -2,-0.2 5,-0.3 0.853 126.1 60.4 -55.4 -33.4 -8.1 -3.3 10.5 88 135 A I H 3> S+ 0 0 36 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.923 108.0 41.3 -59.5 -49.2 -5.6 -2.7 13.2 89 136 A H H <> S+ 0 0 25 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.886 114.5 52.4 -64.8 -42.1 -8.2 -1.6 15.8 90 137 A I H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.908 112.4 43.7 -64.2 -44.7 -10.7 -4.3 14.7 91 138 A K H X S+ 0 0 81 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.891 114.0 50.4 -72.9 -37.3 -8.1 -7.2 15.2 92 139 A N H X S+ 0 0 83 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.911 109.9 51.5 -61.4 -44.1 -6.8 -5.7 18.5 93 140 A R H X S+ 0 0 55 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.896 108.2 51.6 -61.8 -39.4 -10.3 -5.5 19.8 94 141 A W H X S+ 0 0 15 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.865 105.6 54.3 -69.1 -36.7 -11.0 -9.1 18.9 95 142 A V H X S+ 0 0 73 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.936 114.1 43.2 -58.4 -43.3 -7.9 -10.3 20.7 96 143 A T H X S+ 0 0 69 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.919 115.4 46.3 -70.7 -44.7 -9.2 -8.6 23.8 97 144 A I H X S+ 0 0 0 -4,-2.8 4,-1.3 2,-0.2 -2,-0.2 0.969 113.9 47.6 -62.2 -53.0 -12.8 -9.6 23.5 98 145 A S H < S+ 0 0 10 -4,-2.6 4,-0.2 1,-0.2 -1,-0.2 0.857 110.2 54.7 -59.0 -35.4 -12.0 -13.3 22.8 99 146 A N H >< S+ 0 0 98 -4,-1.7 3,-1.6 -5,-0.3 4,-0.3 0.953 110.1 44.3 -58.9 -52.3 -9.6 -13.2 25.7 100 147 A K H 3< S+ 0 0 119 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.652 113.2 53.7 -66.1 -17.2 -12.3 -12.0 28.1 101 148 A L T 3< S- 0 0 24 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.431 128.0 -98.3 -92.8 -1.0 -14.7 -14.5 26.5 102 149 A G < 0 0 56 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.925 360.0 360.0 69.3 86.0 -12.2 -17.4 27.2 103 150 A I 0 0 118 -4,-0.3 -4,-0.2 -8,-0.1 -1,-0.2 0.477 360.0 360.0 -19.8 360.0 -10.7 -17.5 23.7 104 !* 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 0.0 105 48 D K 0 0 265 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 9.7 -32.6 -42.7 23.9 106 49 D K - 0 0 178 2,-0.0 2,-1.0 0, 0.0 0, 0.0 -0.890 360.0-166.7-137.5 112.1 -34.1 -39.2 23.3 107 50 D Q - 0 0 81 -2,-0.4 2,-0.1 0, 0.0 0, 0.0 -0.740 13.2-163.0-100.5 84.9 -37.9 -38.9 23.5 108 51 D K - 0 0 167 -2,-1.0 2,-0.3 1,-0.1 -2,-0.0 -0.352 25.2-106.3 -71.6 147.4 -38.8 -35.5 22.0 109 52 D F - 0 0 32 -2,-0.1 -1,-0.1 4,-0.1 0, 0.0 -0.576 30.3-142.5 -75.1 132.4 -42.2 -33.9 22.7 110 53 D T > - 0 0 58 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.494 27.3-108.4 -82.5 162.2 -44.7 -34.0 19.8 111 54 D P H > S+ 0 0 84 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.881 123.2 52.9 -58.3 -35.7 -47.0 -31.0 19.2 112 55 D E H > S+ 0 0 125 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.921 108.0 49.1 -65.3 -45.3 -49.9 -33.3 20.4 113 56 D E H > S+ 0 0 28 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.845 108.4 55.3 -60.5 -35.2 -47.9 -34.1 23.6 114 57 D D H X S+ 0 0 20 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.901 108.8 46.6 -63.9 -40.9 -47.4 -30.3 24.0 115 58 D E H X S+ 0 0 108 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.936 112.2 50.8 -67.9 -43.2 -51.1 -29.7 23.9 116 59 D M H X S+ 0 0 80 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.881 109.6 51.6 -55.0 -40.4 -51.6 -32.6 26.3 117 60 D L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.940 109.4 48.1 -66.5 -47.6 -49.0 -31.0 28.6 118 61 D K H X S+ 0 0 85 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.930 113.2 48.8 -59.2 -44.6 -50.7 -27.6 28.6 119 62 D R H X S+ 0 0 204 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.927 111.9 48.8 -63.0 -42.7 -54.1 -29.2 29.3 120 63 D A H X S+ 0 0 6 -4,-2.6 4,-3.4 2,-0.2 5,-0.3 0.876 110.0 50.5 -65.3 -39.7 -52.6 -31.2 32.1 121 64 D V H X S+ 0 0 20 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.912 106.8 56.6 -63.9 -38.1 -50.9 -28.2 33.7 122 65 D A H < S+ 0 0 90 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.916 117.6 33.9 -57.6 -43.6 -54.3 -26.4 33.5 123 66 D Q H < S+ 0 0 143 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.897 132.3 26.0 -79.4 -43.6 -55.9 -29.2 35.5 124 67 D H H >< S- 0 0 49 -4,-3.4 3,-1.5 1,-0.2 2,-0.4 0.438 83.8-156.7-108.5 -0.5 -53.1 -30.2 37.9 125 68 D G T 3< S- 0 0 38 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.1 -0.448 72.1 -14.1 69.6-115.6 -51.0 -27.1 38.2 126 69 D S T 3 S+ 0 0 91 -2,-0.4 2,-1.8 1,-0.1 -1,-0.2 0.074 94.9 121.6-113.4 23.1 -47.5 -28.0 39.3 127 70 D D <> + 0 0 85 -3,-1.5 4,-2.5 1,-0.2 3,-0.3 -0.601 37.0 175.9 -82.5 80.0 -48.2 -31.6 40.4 128 71 D W H > S+ 0 0 42 -2,-1.8 4,-3.0 1,-0.2 -1,-0.2 0.802 71.3 57.8 -62.7 -34.2 -45.7 -33.1 37.9 129 72 D K H > S+ 0 0 173 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.948 112.6 41.6 -60.0 -46.5 -46.1 -36.7 39.0 130 73 D M H 4 S+ 0 0 73 -3,-0.3 4,-0.3 2,-0.2 -2,-0.2 0.887 113.9 52.6 -69.0 -36.8 -49.8 -36.5 38.2 131 74 D I H >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.944 107.7 51.6 -61.9 -43.1 -49.1 -34.5 35.1 132 75 D A H >< S+ 0 0 7 -4,-3.0 3,-1.6 1,-0.3 6,-0.6 0.844 100.2 63.7 -64.2 -33.7 -46.6 -37.2 33.9 133 76 D A T 3< S+ 0 0 72 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.509 87.5 71.8 -69.4 -7.4 -49.2 -40.0 34.5 134 77 D T T < S+ 0 0 51 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.362 92.2 69.5 -87.5 3.6 -51.4 -38.4 31.8 135 78 D F S < S- 0 0 14 -3,-1.6 3,-0.4 3,-0.2 -22,-0.0 -0.875 88.3-121.7-114.0 156.1 -49.0 -39.7 29.2 136 79 D P S S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.880 104.2 0.8 -61.5 -36.1 -48.3 -43.3 28.2 137 80 D N S S+ 0 0 119 2,-0.1 2,-0.3 -3,-0.0 -4,-0.1 -0.369 93.3 117.0-157.0 68.0 -44.6 -43.0 29.1 138 81 D R - 0 0 20 -6,-0.6 2,-0.2 -3,-0.4 -3,-0.2 -0.922 44.1-143.1-127.0 155.4 -43.4 -39.7 30.5 139 82 D N > - 0 0 80 -2,-0.3 4,-1.7 1,-0.1 5,-0.2 -0.741 31.0-102.7-113.4 168.9 -41.9 -38.9 33.9 140 83 D A H > S+ 0 0 23 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.879 118.5 54.4 -55.9 -41.8 -42.3 -35.8 36.1 141 84 D R H > S+ 0 0 151 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.912 106.1 50.9 -64.5 -41.7 -38.9 -34.4 35.2 142 85 D Q H > S+ 0 0 44 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.891 114.9 42.9 -60.6 -42.7 -39.5 -34.5 31.5 143 86 D C H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.901 113.3 51.4 -71.3 -42.5 -42.9 -32.7 31.8 144 87 D R H X S+ 0 0 108 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.912 114.3 44.8 -58.0 -47.5 -41.5 -30.1 34.3 145 88 D D H X S+ 0 0 52 -4,-2.6 4,-2.4 -5,-0.2 5,-0.3 0.901 110.7 52.1 -64.4 -46.0 -38.6 -29.4 31.9 146 89 D R H X>S+ 0 0 58 -4,-2.0 5,-1.5 -5,-0.2 4,-1.4 0.918 115.7 42.2 -61.2 -41.0 -40.7 -29.2 28.8 147 90 D W H <>S+ 0 0 57 -4,-2.4 5,-2.6 3,-0.2 4,-0.4 0.974 114.4 49.5 -66.7 -56.2 -43.0 -26.7 30.6 148 91 D K H <5S+ 0 0 112 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.851 124.4 27.5 -51.9 -41.5 -40.2 -24.6 32.2 149 92 D N H <5S+ 0 0 12 -4,-2.4 -1,-0.2 -5,-0.2 41,-0.2 0.603 136.4 12.5-105.4 -12.8 -38.1 -24.2 29.1 150 93 D Y T <5S+ 0 0 87 -4,-1.4 -3,-0.2 -5,-0.3 -2,-0.1 0.684 123.4 33.9-133.8 -39.2 -40.6 -24.3 26.2 151 94 D L T - 0 0 57 -2,-0.2 4,-2.0 -3,-0.2 5,-0.1 -0.304 22.3-115.0 -70.2 165.7 -32.7 -10.5 18.2 162 105 D A H > S+ 0 0 47 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.760 119.8 62.0 -72.2 -24.6 -29.3 -8.9 17.5 163 106 D E H > S+ 0 0 143 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.847 104.2 46.1 -68.5 -37.0 -30.0 -6.9 20.6 164 107 D E H > S+ 0 0 31 2,-0.2 4,-3.2 1,-0.2 -2,-0.2 0.947 111.5 50.9 -68.6 -48.6 -30.1 -10.1 22.7 165 108 D D H X S+ 0 0 28 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.869 110.1 52.1 -53.3 -39.3 -26.9 -11.4 21.0 166 109 D A H X S+ 0 0 22 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.968 111.5 44.8 -64.8 -51.6 -25.4 -8.1 21.8 167 110 D L H X S+ 0 0 60 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.901 110.5 55.4 -57.3 -41.9 -26.4 -8.4 25.5 168 111 D L H X S+ 0 0 0 -4,-3.2 4,-1.9 2,-0.2 -1,-0.2 0.851 106.3 50.4 -62.9 -41.8 -25.2 -12.1 25.6 169 112 D V H X S+ 0 0 5 -4,-2.0 4,-1.7 -5,-0.2 3,-0.4 0.977 112.6 45.6 -57.5 -58.6 -21.7 -11.3 24.4 170 113 D Q H X S+ 0 0 67 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.917 113.6 51.6 -52.1 -44.4 -21.3 -8.5 27.0 171 114 D K H X S+ 0 0 33 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.828 104.8 53.7 -66.6 -34.3 -22.7 -10.8 29.7 172 115 D I H X S+ 0 0 6 -4,-1.9 4,-2.1 -3,-0.4 -1,-0.2 0.863 105.6 53.2 -71.3 -34.6 -20.5 -13.7 29.1 173 116 D Q H < S+ 0 0 29 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.918 113.5 47.6 -62.0 -39.0 -17.3 -11.6 29.4 174 117 D E H < S+ 0 0 112 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.946 131.0 10.6 -66.9 -50.1 -18.8 -10.5 32.8 175 118 D Y H < S- 0 0 72 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.549 84.3-147.2-113.6 -12.0 -19.8 -13.9 34.3 176 119 D G S < S- 0 0 32 -4,-2.1 2,-0.3 -5,-0.3 -1,-0.3 -0.575 71.3 -10.6 75.3-138.0 -18.3 -16.7 32.2 177 120 D R S S+ 0 0 203 -2,-0.3 2,-1.3 1,-0.1 -1,-0.2 -0.118 90.3 124.1 -94.0 36.3 -20.3 -19.9 32.0 178 121 D Q > + 0 0 97 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 -0.644 32.8 173.1 -96.5 79.2 -22.9 -19.1 34.7 179 122 D W H > S+ 0 0 45 -2,-1.3 4,-2.7 1,-0.2 -1,-0.2 0.826 71.8 49.6 -61.6 -42.3 -25.9 -19.6 32.5 180 123 D A H > S+ 0 0 63 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.900 112.9 47.6 -64.7 -42.9 -28.6 -19.3 35.2 181 124 D I H >4 S+ 0 0 70 1,-0.2 3,-0.9 2,-0.2 -2,-0.2 0.958 115.3 46.7 -61.6 -47.6 -27.0 -16.1 36.6 182 125 D I H >< S+ 0 0 0 -4,-2.8 3,-2.3 1,-0.2 -2,-0.2 0.892 101.0 64.9 -59.7 -42.0 -26.8 -14.7 33.0 183 126 D A H >< S+ 0 0 12 -4,-2.7 3,-2.4 1,-0.3 6,-0.3 0.722 82.9 76.7 -62.4 -21.0 -30.3 -15.7 32.0 184 127 D K T << S+ 0 0 181 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.703 90.6 58.0 -61.9 -15.8 -31.8 -13.2 34.5 185 128 D F T < S+ 0 0 80 -3,-2.3 -1,-0.3 -4,-0.2 -2,-0.2 0.402 97.2 69.8 -93.2 3.1 -30.9 -10.5 32.1 186 129 D F S X S- 0 0 5 -3,-2.4 3,-2.0 3,-0.2 -1,-0.2 -0.806 74.6-149.5-125.1 93.1 -33.0 -12.1 29.3 187 130 D P T 3 S+ 0 0 117 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.338 86.8 18.1 -55.7 134.1 -36.8 -11.9 29.8 188 131 D G T 3 S+ 0 0 21 1,-0.2 -32,-2.6 -34,-0.1 2,-0.3 0.440 108.4 96.1 83.1 0.2 -38.4 -15.0 28.2 189 132 D R < - 0 0 22 -3,-2.0 -1,-0.2 -6,-0.3 -3,-0.2 -0.938 55.8-156.1-121.0 146.7 -35.2 -17.0 28.0 190 133 D T > - 0 0 15 -2,-0.3 4,-2.4 -41,-0.2 3,-0.3 -0.602 40.7 -91.8-109.8 175.8 -33.9 -19.7 30.4 191 134 D D H > S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.826 126.0 58.5 -52.4 -35.6 -30.4 -21.0 31.2 192 135 D I H > S+ 0 0 38 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.930 108.8 43.0 -61.7 -45.9 -31.0 -23.7 28.5 193 136 D H H > S+ 0 0 27 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.896 113.2 52.1 -70.5 -39.1 -31.6 -21.0 25.8 194 137 D I H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.967 113.2 43.8 -58.0 -54.2 -28.7 -18.9 26.9 195 138 D K H X S+ 0 0 75 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.906 113.8 50.4 -60.5 -46.0 -26.2 -21.8 26.8 196 139 D N H X S+ 0 0 76 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.890 109.2 51.6 -59.6 -42.5 -27.5 -23.1 23.5 197 140 D R H X S+ 0 0 45 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.921 109.7 48.9 -63.0 -43.2 -27.2 -19.7 21.9 198 141 D W H X S+ 0 0 36 -4,-2.1 4,-3.2 2,-0.2 5,-0.3 0.866 107.6 55.1 -64.7 -37.7 -23.6 -19.3 23.0 199 142 D V H X S+ 0 0 68 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.918 111.7 44.8 -59.8 -42.9 -22.8 -22.7 21.7 200 143 D T H X S+ 0 0 55 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.965 115.7 45.7 -64.9 -54.4 -24.1 -21.6 18.3 201 144 D I H X S+ 0 0 2 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.934 112.9 49.4 -54.2 -49.6 -22.4 -18.2 18.3 202 145 D S H <>S+ 0 0 13 -4,-3.2 5,-2.7 1,-0.2 -1,-0.2 0.855 111.3 50.5 -65.0 -32.9 -19.0 -19.7 19.5 203 146 D N H ><5S+ 0 0 106 -4,-1.7 3,-2.4 -5,-0.3 -1,-0.2 0.969 110.8 47.2 -64.4 -52.8 -19.2 -22.3 16.8 204 147 D K H 3<5S+ 0 0 124 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.701 108.3 59.0 -59.6 -21.4 -19.9 -19.7 14.1 205 148 D L T 3<5S- 0 0 18 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.481 116.8-116.2 -84.0 -5.4 -17.1 -17.8 15.6 206 149 D G T < 5 0 0 71 -3,-2.4 -3,-0.2 1,-0.2 -2,-0.1 0.883 360.0 360.0 67.4 40.6 -14.7 -20.7 14.9 207 150 D I < 0 0 78 -5,-2.7 -1,-0.2 -6,-0.1 -104,-0.1 -0.307 360.0 360.0-140.6 360.0 -14.2 -21.1 18.7