==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 04-OCT-04 1XN8 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN YQBG; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR G.LIU,L.MA,Y.SHEN,T.ACTON,H.S.ATREYA,R.XIAO,A.JOACHIMIAK, . 131 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9172.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 66 50.4 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 . 2 1.5 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 . 1 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 . 7 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 34.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 1 1 1 0 0 0 0 0 0 0 0 1 0 0 1 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 . 1 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 1 A M 0 0 107 0, 0.0 30,-0.0 0, 0.0 43,-0.0 0.000 360.0 360.0 360.0 144.2 -1.1 -10.3 -6.2 2 2 A L - 0 0 15 1,-0.1 2,-0.1 29,-0.1 29,-0.1 -0.048 360.0-165.9 -40.8 138.3 0.4 -7.8 -3.8 3 3 A L + 0 0 107 2,-0.1 2,-0.5 28,-0.0 -1,-0.1 -0.530 33.6 135.9-132.3 64.7 -2.0 -7.3 -0.9 4 4 A I - 0 0 18 -2,-0.1 26,-0.1 23,-0.1 5,-0.1 -0.967 55.0-117.1-118.5 124.8 -0.7 -4.1 0.8 5 5 A T > - 0 0 83 -2,-0.5 4,-0.6 1,-0.1 -2,-0.1 -0.196 13.4-135.9 -56.5 147.2 -3.1 -1.4 2.0 6 6 A P H > S+ 0 0 10 0, 0.0 4,-1.3 0, 0.0 3,-0.3 0.797 105.3 56.4 -75.0 -30.6 -2.7 2.0 0.3 7 7 A D H > S+ 0 0 81 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.865 99.0 60.3 -67.6 -37.4 -3.0 3.7 3.7 8 8 A E H > S+ 0 0 69 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.808 101.3 55.7 -59.2 -31.0 -0.1 1.7 5.0 9 9 A L H X S+ 0 0 0 -4,-0.6 4,-2.1 -3,-0.3 3,-0.3 0.927 110.8 41.7 -67.2 -46.7 1.9 3.3 2.2 10 10 A K H < S+ 0 0 70 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.799 107.1 64.8 -69.6 -29.6 1.1 6.8 3.4 11 11 A S H < S+ 0 0 86 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.866 115.9 28.5 -60.2 -37.9 1.5 5.6 7.0 12 12 A Y H < S+ 0 0 114 -4,-1.3 2,-0.6 -3,-0.3 -2,-0.2 0.680 113.8 74.9 -94.4 -23.6 5.2 5.0 6.2 13 13 A S < - 0 0 0 -4,-2.1 -1,-0.1 -5,-0.2 50,-0.0 -0.837 59.0-167.5 -96.6 119.7 5.4 7.7 3.5 14 14 A V + 0 0 127 -2,-0.6 2,-0.5 4,-0.0 -1,-0.1 -0.130 50.2 123.4 -94.8 35.5 5.5 11.2 4.9 15 15 A F > - 0 0 77 1,-0.1 4,-2.3 -5,-0.1 5,-0.1 -0.858 57.5-150.6-103.2 131.7 4.9 12.6 1.4 16 16 A E H > S+ 0 0 150 -2,-0.5 4,-4.0 1,-0.2 5,-0.3 0.856 100.6 56.1 -64.2 -36.5 1.9 14.8 0.6 17 17 A S H > S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.901 112.0 41.5 -61.8 -43.0 1.8 13.5 -2.9 18 18 A V H 4 S+ 0 0 0 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.827 116.8 50.4 -72.9 -33.3 1.5 9.9 -1.6 19 19 A K H < S+ 0 0 97 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.952 111.7 45.9 -68.5 -51.8 -0.9 11.1 1.0 20 20 A T H < S+ 0 0 80 -4,-4.0 -2,-0.2 53,-0.2 -3,-0.2 0.924 89.5 103.1 -56.1 -48.6 -3.1 13.0 -1.4 21 21 A R S < S- 0 0 31 -4,-2.2 2,-0.1 -5,-0.3 -11,-0.1 -0.061 79.7-118.4 -39.6 128.9 -3.1 10.0 -3.8 22 22 A P >> - 0 0 45 0, 0.0 4,-4.0 0, 0.0 3,-0.7 -0.410 13.4-119.7 -75.0 150.9 -6.4 8.2 -3.5 23 23 A D H 3> S+ 0 0 76 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.868 115.5 61.2 -55.4 -38.6 -6.5 4.6 -2.4 24 24 A E H 3> S+ 0 0 130 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.888 115.2 32.5 -55.3 -42.6 -8.1 3.8 -5.7 25 25 A L H <> S+ 0 0 54 -3,-0.7 4,-3.3 2,-0.2 5,-0.3 0.928 110.5 62.7 -79.5 -50.4 -5.0 5.1 -7.4 26 26 A L H X S+ 0 0 3 -4,-4.0 4,-3.6 1,-0.3 -2,-0.2 0.813 104.5 53.5 -43.2 -34.4 -2.5 4.0 -4.7 27 27 A K H X S+ 0 0 121 -4,-2.1 4,-3.3 -5,-0.3 -1,-0.3 0.965 109.2 44.3 -66.4 -54.7 -3.8 0.5 -5.6 28 28 A Q H X S+ 0 0 106 -4,-1.1 4,-1.8 1,-0.2 -2,-0.2 0.862 119.4 45.0 -57.5 -38.0 -3.0 0.9 -9.3 29 29 A D H X S+ 0 0 3 -4,-3.3 4,-1.7 2,-0.2 -2,-0.2 0.943 111.5 50.9 -70.9 -50.2 0.3 2.4 -8.4 30 30 A I H X S+ 0 0 4 -4,-3.6 4,-2.2 -5,-0.3 3,-0.5 0.918 112.9 46.7 -52.4 -48.3 1.1 -0.1 -5.8 31 31 A L H X S+ 0 0 69 -4,-3.3 4,-2.2 1,-0.3 -1,-0.3 0.886 108.8 55.3 -61.3 -40.4 0.4 -2.9 -8.3 32 32 A E H < S+ 0 0 81 -4,-1.8 4,-0.5 -5,-0.3 -1,-0.3 0.773 107.6 51.3 -63.1 -26.8 2.5 -1.0 -10.8 33 33 A A H >X S+ 0 0 0 -4,-1.7 4,-1.6 -3,-0.5 3,-1.2 0.913 108.3 48.8 -75.7 -45.9 5.3 -1.1 -8.2 34 34 A T H 3X S+ 0 0 5 -4,-2.2 4,-4.6 1,-0.3 5,-0.4 0.839 98.5 69.5 -61.9 -34.6 5.0 -4.9 -7.7 35 35 A A H 3X S+ 0 0 44 -4,-2.2 4,-1.0 1,-0.2 -1,-0.3 0.824 104.2 44.0 -52.3 -33.1 5.0 -5.3 -11.4 36 36 A D H <> S+ 0 0 32 -3,-1.2 4,-3.0 -4,-0.5 6,-0.3 0.939 114.9 45.7 -76.9 -51.4 8.6 -4.3 -11.2 37 37 A I H X S+ 0 0 1 -4,-1.6 4,-2.7 1,-0.3 5,-0.3 0.909 112.6 52.1 -57.3 -44.6 9.5 -6.4 -8.2 38 38 A I H X>S+ 0 0 28 -4,-4.6 5,-2.2 1,-0.2 4,-0.7 0.858 113.3 44.7 -59.7 -36.5 7.7 -9.3 -9.8 39 39 A L H <5S+ 0 0 139 -4,-1.0 -2,-0.2 -5,-0.4 -1,-0.2 0.838 109.5 55.9 -75.4 -35.0 9.8 -8.7 -12.9 40 40 A K H <5S+ 0 0 62 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.895 121.5 28.9 -63.1 -41.5 12.9 -8.3 -10.7 41 41 A V H <5S- 0 0 7 -4,-2.7 72,-0.3 2,-0.2 -1,-0.2 0.536 105.1-133.2 -93.8 -10.8 12.3 -11.7 -9.2 42 42 A G T <5S+ 0 0 45 -4,-0.7 2,-0.3 -5,-0.3 -3,-0.2 0.856 72.2 102.4 59.6 37.3 10.6 -12.9 -12.4 43 43 A H < - 0 0 85 -5,-2.2 2,-0.5 -6,-0.2 -2,-0.2 -0.990 59.8-148.2-151.5 142.6 7.8 -14.3 -10.3 44 44 A D - 0 0 85 -2,-0.3 2,-1.6 -3,-0.1 3,-0.4 -0.961 25.5-125.1-117.7 117.7 4.3 -13.2 -9.4 45 45 A F + 0 0 7 -2,-0.5 6,-0.1 1,-0.2 3,-0.0 -0.409 63.9 129.5 -61.9 88.7 2.9 -14.2 -6.0 46 46 A S + 0 0 66 -2,-1.6 -1,-0.2 4,-0.1 4,-0.1 0.802 38.8 87.0-106.8 -58.4 -0.3 -16.0 -7.3 47 47 A D > - 0 0 98 -3,-0.4 3,-2.3 1,-0.2 -1,-0.0 -0.265 68.7-147.7 -50.0 115.7 -0.3 -19.3 -5.6 48 48 A A T 3 S+ 0 0 94 1,-0.3 3,-0.5 2,-0.1 -1,-0.2 0.688 99.0 67.5 -60.5 -17.4 -2.1 -18.6 -2.3 49 49 A E T 3 S+ 0 0 127 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.246 109.5 35.5 -86.4 12.2 0.1 -21.4 -1.0 50 50 A Y S < S+ 0 0 111 -3,-2.3 -1,-0.3 -4,-0.1 -3,-0.1 -0.307 72.7 123.1-163.7 67.3 3.1 -19.0 -1.5 51 51 A I + 0 0 52 -3,-0.5 2,-0.1 -6,-0.1 -3,-0.1 -0.566 34.7 173.2-132.2 67.6 2.2 -15.4 -0.9 52 52 A P - 0 0 40 0, 0.0 -7,-0.1 0, 0.0 -2,-0.0 -0.346 20.0-160.4 -75.0 157.4 4.8 -14.3 1.8 53 53 A L + 0 0 57 -2,-0.1 -2,-0.0 4,-0.1 2,-0.0 -0.595 19.4 175.4-140.8 73.9 5.0 -10.7 2.9 54 54 A P > - 0 0 26 0, 0.0 4,-2.6 0, 0.0 5,-0.2 -0.206 47.3-105.0 -75.0 169.6 8.4 -10.1 4.5 55 55 A E H > S+ 0 0 162 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.748 120.4 59.2 -65.7 -24.2 9.7 -6.8 5.7 56 56 A T H > S+ 0 0 32 2,-0.2 4,-3.6 3,-0.2 -1,-0.2 0.967 111.3 36.0 -68.4 -55.6 12.0 -6.8 2.7 57 57 A V H > S+ 0 0 2 2,-0.2 4,-4.4 1,-0.2 5,-0.4 0.964 118.8 50.3 -61.8 -55.0 9.2 -7.0 0.1 58 58 A R H X S+ 0 0 88 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.876 117.8 41.1 -50.2 -42.4 6.9 -4.8 2.1 59 59 A L H X S+ 0 0 34 -4,-1.8 4,-3.2 -5,-0.2 -1,-0.2 0.894 114.8 51.1 -72.9 -42.1 9.7 -2.3 2.4 60 60 A A H X S+ 0 0 0 -4,-3.6 4,-2.7 2,-0.2 -2,-0.2 0.903 118.2 38.6 -60.8 -43.1 10.8 -2.8 -1.2 61 61 A L H X S+ 0 0 0 -4,-4.4 4,-4.1 2,-0.2 5,-0.3 0.871 114.7 54.2 -74.3 -39.0 7.2 -2.2 -2.3 62 62 A L H X S+ 0 0 14 -4,-2.6 4,-1.9 -5,-0.4 -2,-0.2 0.892 114.6 41.5 -61.1 -41.1 6.7 0.5 0.3 63 63 A K H X S+ 0 0 79 -4,-3.2 4,-2.7 2,-0.2 -2,-0.2 0.953 118.7 44.2 -70.6 -52.3 9.8 2.3 -1.1 64 64 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 -5,-0.2 5,-0.3 0.942 117.7 45.3 -56.8 -51.3 9.0 1.6 -4.7 65 65 A S H X S+ 0 0 0 -4,-4.1 4,-2.6 1,-0.2 5,-0.2 0.877 113.9 50.2 -59.8 -39.5 5.3 2.6 -4.1 66 66 A Q H X S+ 0 0 40 -4,-1.9 4,-0.7 -5,-0.3 -1,-0.2 0.834 111.8 49.4 -67.5 -33.9 6.5 5.6 -2.1 67 67 A F H X S+ 0 0 12 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.966 117.8 36.7 -69.1 -55.9 8.8 6.5 -5.0 68 68 A Y H < S+ 0 0 8 -4,-3.0 3,-0.4 2,-0.2 -2,-0.2 0.965 116.6 51.1 -61.3 -56.2 6.3 6.3 -7.8 69 69 A A H >X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.3 3,-0.7 0.774 110.2 54.7 -52.5 -26.6 3.4 7.7 -5.8 70 70 A L H 3< S+ 0 0 21 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.904 114.3 36.8 -73.6 -43.8 5.8 10.4 -5.0 71 71 A I T 3< S+ 0 0 10 -4,-1.9 -1,-0.2 -3,-0.4 -2,-0.2 -0.031 112.6 66.6 -97.2 28.4 6.5 11.2 -8.7 72 72 A N T <4 S+ 0 0 43 -3,-0.7 2,-0.3 -5,-0.1 -2,-0.2 0.768 111.3 20.0-110.2 -56.0 2.9 10.4 -9.4 73 73 A G S < S+ 0 0 32 -4,-1.4 2,-0.2 -5,-0.1 -53,-0.2 -0.572 93.4 127.0-118.5 66.2 0.9 13.2 -7.8 74 74 A D S S- 0 0 63 -2,-0.3 -3,-0.1 3,-0.1 3,-0.1 -0.472 74.8 -74.0-110.4-177.1 3.5 15.9 -7.2 75 75 A E S S- 0 0 178 1,-0.2 18,-0.0 -2,-0.2 -1,-0.0 0.912 101.8 -42.7 -39.3 -86.0 3.6 19.6 -8.1 76 76 A S S S+ 0 0 117 16,-0.1 -1,-0.2 -3,-0.0 2,-0.2 -0.364 73.2 176.3-152.0 61.7 4.2 19.4 -11.9 77 77 A I - 0 0 34 1,-0.1 16,-0.1 14,-0.1 2,-0.1 -0.475 32.2-116.2 -72.2 140.2 6.8 16.6 -12.5 78 78 A I + 0 0 109 14,-0.7 13,-0.9 -2,-0.2 14,-0.3 -0.405 46.0 151.6 -75.6 153.4 7.5 15.9 -16.2 79 79 A K - 0 0 49 11,-0.2 6,-0.1 12,-0.1 4,-0.1 -0.942 58.6 -44.1-174.9 158.1 6.7 12.6 -17.6 80 80 A G > - 0 0 21 -2,-0.3 3,-1.9 4,-0.3 10,-0.0 -0.017 50.1-156.1 -34.2 95.0 5.7 10.8 -20.9 81 81 A Y T 3 S+ 0 0 219 1,-0.3 -1,-0.2 3,-0.0 -3,-0.0 0.764 98.2 18.6 -50.0 -27.4 3.2 13.4 -22.0 82 82 A T T 3 S+ 0 0 111 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.057 118.7 85.2-131.5 21.0 1.7 10.5 -24.0 83 83 A T S < S- 0 0 73 -3,-1.9 2,-0.1 1,-0.1 3,-0.1 -0.704 70.7-116.2-119.5 171.7 3.3 7.6 -22.1 84 84 A E - 0 0 135 -2,-0.2 2,-0.4 1,-0.1 -4,-0.3 -0.276 51.8 -61.0 -97.1-174.8 2.5 5.6 -19.1 85 85 A K S S+ 0 0 89 -2,-0.1 2,-0.1 -6,-0.1 -1,-0.1 -0.565 70.3 147.4 -72.8 125.2 4.3 5.2 -15.8 86 86 A I - 0 0 80 -2,-0.4 -1,-0.1 -3,-0.1 -3,-0.0 -0.349 52.4-106.5-131.9-148.5 7.8 3.7 -16.3 87 87 A G + 0 0 25 -2,-0.1 14,-0.1 13,-0.0 -2,-0.1 -0.240 65.7 122.0-150.4 51.3 11.2 4.0 -14.7 88 88 A D S S- 0 0 108 12,-0.1 13,-0.2 1,-0.0 -2,-0.0 -0.003 83.4 -72.8 -96.0-156.7 13.4 6.0 -17.1 89 89 A Y S S+ 0 0 164 11,-0.1 10,-0.1 -2,-0.1 11,-0.1 0.055 101.6 102.2 -90.6 24.3 15.3 9.2 -16.5 90 90 A S + 0 0 24 1,-0.1 3,-0.2 8,-0.1 -11,-0.2 0.300 29.3 89.7 -82.7-146.8 12.1 11.1 -16.5 91 91 A Y - 0 0 1 -13,-0.9 8,-0.8 1,-0.2 2,-0.3 0.940 66.2-156.0 52.6 54.8 10.2 12.4 -13.4 92 92 A T B -A 98 0A 56 -14,-0.3 -14,-0.7 6,-0.2 -1,-0.2 -0.475 7.3-140.6 -65.7 120.8 12.1 15.7 -13.5 93 93 A L - 0 0 45 4,-1.9 3,-0.5 -2,-0.3 -1,-0.1 -0.329 24.4-106.5 -78.7 164.4 12.1 17.2 -10.0 94 94 A G S S+ 0 0 84 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.725 125.5 50.6 -62.3 -22.1 11.6 20.9 -9.4 95 95 A D S S- 0 0 157 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.735 125.1-104.8 -85.8 -26.6 15.3 21.0 -8.5 96 96 A G + 0 0 57 -3,-0.5 2,-0.4 1,-0.3 -2,-0.1 0.723 68.5 148.2 105.2 33.9 16.2 19.2 -11.8 97 97 A S - 0 0 56 -6,-0.1 -4,-1.9 1,-0.0 2,-1.9 -0.822 52.1-130.2-103.3 140.0 16.9 15.8 -10.4 98 98 A S B -A 92 0A 65 -2,-0.4 -6,-0.2 -6,-0.2 2,-0.1 -0.465 29.2-158.3 -85.5 64.6 16.3 12.6 -12.4 99 99 A L - 0 0 34 -2,-1.9 2,-0.2 -8,-0.8 -9,-0.0 -0.243 19.6-177.3 -48.0 109.4 14.4 10.9 -9.5 100 100 A Q - 0 0 82 1,-0.2 -11,-0.1 -2,-0.1 -12,-0.1 -0.618 35.2 -61.4-109.7 170.4 14.8 7.3 -10.5 101 101 A K - 0 0 51 -2,-0.2 -1,-0.2 -13,-0.2 -37,-0.1 -0.002 61.8-108.2 -45.6 155.2 13.4 4.1 -9.0 102 102 A P - 0 0 35 0, 0.0 2,-0.5 0, 0.0 3,-0.1 0.090 30.2 -98.2 -75.0-168.0 14.6 3.3 -5.4 103 103 A D + 0 0 151 1,-0.1 3,-0.1 2,-0.1 4,-0.0 -0.772 68.7 128.7-120.3 83.8 17.1 0.7 -4.3 104 104 A V > + 0 0 0 -2,-0.5 4,-2.2 2,-0.1 5,-0.3 0.188 41.6 103.0-117.2 10.7 15.1 -2.3 -3.1 105 105 A Y H > S+ 0 0 147 1,-0.3 4,-1.9 2,-0.2 -1,-0.1 0.876 82.8 49.4 -60.7 -39.9 17.0 -4.8 -5.2 106 106 A A H 4 S+ 0 0 71 2,-0.2 4,-0.4 1,-0.2 -1,-0.3 0.775 107.9 56.6 -69.7 -27.0 18.9 -5.9 -2.2 107 107 A L H >4 S+ 0 0 43 1,-0.2 3,-0.6 2,-0.2 -2,-0.2 0.926 117.0 32.2 -69.3 -46.7 15.6 -6.2 -0.4 108 108 A I H >< S+ 0 0 1 -4,-2.2 3,-2.0 1,-0.2 4,-0.3 0.670 99.2 85.5 -82.4 -19.3 14.2 -8.6 -2.9 109 109 A K T 3< S+ 0 0 125 -4,-1.9 3,-0.5 1,-0.3 -1,-0.2 0.760 86.2 58.0 -51.9 -24.9 17.6 -10.0 -3.5 110 110 A D T < S+ 0 0 116 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.802 117.3 30.7 -75.0 -30.9 16.8 -12.2 -0.6 111 111 A Y S < S+ 0 0 90 -3,-2.0 -2,-0.2 -4,-0.2 2,-0.2 0.045 94.6 127.4-114.1 22.1 13.7 -13.5 -2.5 112 112 A V S S- 0 0 32 -3,-0.5 -71,-0.1 -4,-0.3 -70,-0.1 -0.570 82.8 -76.1 -82.1 144.3 15.3 -13.1 -5.9 113 113 A K - 0 0 142 -72,-0.3 -1,-0.2 -2,-0.2 -2,-0.1 -0.143 63.6-155.0 -41.6 101.7 15.2 -16.1 -8.2 114 114 A P - 0 0 98 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.060 22.9-102.9 -75.0-178.9 18.1 -18.1 -6.6 115 115 A A + 0 0 113 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.626 67.8 136.9-108.6 70.2 20.3 -20.7 -8.2 116 116 A D - 0 0 85 -2,-0.7 0, 0.0 1,-0.1 0, 0.0 -0.926 44.6-133.7-119.5 143.2 18.7 -23.9 -6.9 117 117 A P > - 0 0 88 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.172 46.1 -77.9 -75.0-162.1 18.0 -27.1 -8.8 118 118 A D T 3 S+ 0 0 133 1,-0.2 4,-0.2 4,-0.0 -2,-0.0 -0.100 100.4 107.2 -92.6 34.0 14.8 -29.1 -8.7 119 119 A L T 3 + 0 0 120 2,-0.1 3,-0.3 0, 0.0 -1,-0.2 0.709 49.1 114.9 -82.0 -22.8 15.9 -30.6 -5.4 120 120 A E S < S- 0 0 131 -3,-0.7 2,-1.9 1,-0.2 -2,-0.0 0.085 95.4 -67.1 -42.8 160.5 13.3 -28.5 -3.6 121 121 A G S S+ 0 0 69 2,-0.1 4,-0.3 3,-0.0 2,-0.3 -0.333 82.8 154.3 -57.5 84.5 10.4 -30.3 -1.9 122 122 A I + 0 0 77 -2,-1.9 -4,-0.0 -3,-0.3 0, 0.0 -0.816 52.3 23.6-116.6 157.2 8.9 -31.6 -5.1 123 123 A E S S+ 0 0 144 -2,-0.3 4,-0.2 1,-0.1 -1,-0.2 0.574 105.5 89.4 66.8 8.4 6.8 -34.7 -5.7 124 124 A A S > S+ 0 0 40 -3,-0.2 4,-1.4 2,-0.1 5,-0.1 0.866 84.8 40.4 -97.4 -56.7 5.9 -34.4 -2.0 125 125 A K H >> S+ 0 0 142 -4,-0.3 4,-4.3 2,-0.2 3,-0.8 0.957 120.1 46.3 -57.2 -54.5 2.9 -32.2 -2.0 126 126 A V H 3> S+ 0 0 102 1,-0.3 4,-3.4 2,-0.3 5,-0.4 0.961 105.7 58.3 -51.8 -59.8 1.4 -33.9 -5.1 127 127 A R H 3> S+ 0 0 174 1,-0.2 4,-0.9 -4,-0.2 -1,-0.3 0.799 119.5 33.8 -39.9 -35.3 2.1 -37.3 -3.7 128 128 A M H << S+ 0 0 120 -4,-1.4 3,-0.5 -3,-0.8 -2,-0.3 0.937 113.5 53.8 -86.3 -59.2 -0.1 -36.1 -0.8 129 129 A R H < S+ 0 0 206 -4,-4.3 -2,-0.2 1,-0.3 -3,-0.2 0.744 110.9 54.0 -47.8 -24.6 -2.6 -33.9 -2.6 130 130 A S H < 0 0 99 -4,-3.4 -1,-0.3 -5,-0.3 -2,-0.2 0.922 360.0 360.0 -76.4 -47.9 -3.1 -36.9 -4.7 131 131 A I < 0 0 177 -4,-0.9 -3,-0.1 -3,-0.5 0, 0.0 0.100 360.0 360.0 -51.0 360.0 -3.9 -39.3 -1.9