==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 04-OCT-07 2VDD . COMPND 2 MOLECULE: OUTER MEMBRANE PROTEIN TOLC; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR V.N.BAVRO,Z.PIETRAS,N.FURNHAM,L.PEREZ-CANO, . 1284 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 60542.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1078 84.0 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 . 187 14.6 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 . 44 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 729 56.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.6 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 3 0 1 0 3 0 3 0 0 0 0 0 1 1 0 0 6 0 0 0 0 0 0 0 1 10 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 . 2 0 0 5 1 1 0 0 0 2 0 0 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 23 A E 0 0 58 0, 0.0 193,-1.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -18.8 -48.2 46.6 62.8 2 24 A N > - 0 0 19 191,-0.2 4,-3.2 1,-0.1 5,-0.2 -0.994 360.0-112.2-144.8 141.0 -48.7 42.8 62.4 3 25 A L H > S+ 0 0 0 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.821 118.7 41.9 -42.0 -50.3 -46.6 40.2 60.6 4 26 A M H > S+ 0 0 18 408,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.954 115.8 48.4 -62.4 -52.6 -49.1 39.7 57.9 5 27 A Q H > S+ 0 0 104 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.846 113.7 49.5 -55.5 -38.6 -50.0 43.4 57.5 6 28 A V H >X S+ 0 0 0 -4,-3.2 4,-2.3 2,-0.2 3,-0.6 0.974 111.0 47.1 -64.3 -57.3 -46.2 44.1 57.3 7 29 A Y H 3X S+ 0 0 14 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.842 104.7 63.1 -52.1 -40.1 -45.5 41.4 54.7 8 30 A Q H 3X S+ 0 0 71 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.912 109.3 39.0 -52.0 -48.6 -48.5 42.7 52.6 9 31 A Q H << S+ 0 0 76 -4,-1.3 4,-0.5 -3,-0.6 3,-0.3 0.903 115.3 53.9 -69.2 -43.2 -46.7 46.1 52.2 10 32 A A H >X S+ 0 0 0 -4,-2.3 3,-0.9 1,-0.2 4,-0.8 0.877 103.8 55.9 -58.0 -43.6 -43.3 44.4 51.7 11 33 A R H 3< S+ 0 0 95 -4,-3.0 3,-0.4 1,-0.2 -1,-0.2 0.839 100.1 56.3 -62.5 -39.2 -44.5 42.1 48.9 12 34 A L T 3< S+ 0 0 124 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.594 123.5 20.2 -76.7 -9.8 -45.8 44.7 46.5 13 35 A S T <4 S+ 0 0 30 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.245 77.2 135.7-145.0 16.1 -42.6 46.7 46.3 14 36 A N X - 0 0 4 -4,-0.8 4,-2.2 -3,-0.4 3,-0.2 -0.600 40.9-155.7 -70.7 117.1 -39.6 44.5 47.3 15 37 A P H > S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.775 90.0 58.0 -71.7 -26.9 -36.9 45.2 44.7 16 38 A E H > S+ 0 0 82 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.917 112.4 40.5 -64.3 -45.0 -35.2 41.8 45.3 17 39 A L H > S+ 0 0 13 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.846 115.0 52.3 -72.1 -35.1 -38.4 40.0 44.4 18 40 A R H X S+ 0 0 100 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.852 106.9 51.5 -73.2 -36.5 -39.3 42.4 41.6 19 41 A K H X S+ 0 0 53 -4,-2.3 4,-1.7 2,-0.2 3,-0.3 0.941 110.7 50.5 -58.3 -48.6 -35.8 42.0 40.0 20 42 A S H X S+ 0 0 6 -4,-1.6 4,-1.9 1,-0.2 3,-0.3 0.907 108.9 51.1 -55.0 -45.6 -36.4 38.2 40.2 21 43 A A H X S+ 0 0 17 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.809 108.3 51.8 -63.3 -32.8 -39.9 38.7 38.5 22 44 A A H X S+ 0 0 4 -4,-1.6 4,-1.9 -3,-0.3 -1,-0.2 0.772 106.4 54.5 -75.1 -28.2 -38.3 40.7 35.7 23 45 A D H X S+ 0 0 49 -4,-1.7 4,-2.2 -3,-0.3 -2,-0.2 0.893 107.5 50.0 -69.0 -42.5 -35.8 37.8 35.2 24 46 A R H X S+ 0 0 62 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.881 110.9 49.9 -60.5 -41.9 -38.6 35.4 34.8 25 47 A D H X S+ 0 0 41 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.916 111.4 46.5 -66.2 -46.3 -40.4 37.6 32.2 26 48 A A H X S+ 0 0 19 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.916 110.8 53.9 -61.4 -44.7 -37.3 38.1 30.1 27 49 A A H < S+ 0 0 12 -4,-2.2 4,-0.3 1,-0.2 64,-0.3 0.922 112.8 43.6 -53.0 -49.8 -36.6 34.4 30.2 28 50 A F H >< S+ 0 0 82 -4,-2.1 3,-0.9 1,-0.2 4,-0.3 0.831 112.1 52.9 -66.9 -35.7 -40.1 33.7 28.9 29 51 A E H >X S+ 0 0 30 -4,-2.4 3,-1.8 1,-0.2 4,-0.6 0.817 95.6 69.0 -69.4 -30.7 -39.8 36.5 26.3 30 52 A K H 3X S+ 0 0 75 -4,-2.3 4,-1.9 1,-0.3 -1,-0.2 0.654 81.2 77.9 -62.3 -16.5 -36.6 35.0 25.0 31 53 A I H <> S+ 0 0 21 -3,-0.9 4,-1.5 -4,-0.3 -1,-0.3 0.837 90.0 54.3 -60.5 -33.9 -38.7 32.1 23.7 32 54 A N H <> S+ 0 0 63 -3,-1.8 4,-1.2 -4,-0.3 -1,-0.2 0.823 107.6 48.6 -70.8 -32.8 -39.8 34.4 20.8 33 55 A E H < S+ 0 0 41 -4,-0.6 -2,-0.2 2,-0.2 -1,-0.2 0.838 111.0 51.8 -70.8 -34.6 -36.2 35.0 19.9 34 56 A A H < S+ 0 0 18 -4,-1.9 -2,-0.2 1,-0.2 50,-0.2 0.792 111.7 44.9 -73.1 -30.7 -35.5 31.3 20.0 35 57 A R H >X S+ 0 0 93 -4,-1.5 3,-2.7 1,-0.2 4,-0.5 0.776 92.3 90.3 -78.0 -28.7 -38.4 30.5 17.7 36 58 A S G >< S+ 0 0 0 -4,-1.2 3,-1.8 1,-0.3 -1,-0.2 0.770 77.4 57.5 -36.3 -52.9 -37.3 33.4 15.4 37 59 A P G 34 S+ 0 0 46 0, 0.0 37,-0.3 0, 0.0 -1,-0.3 0.674 101.0 59.1 -59.7 -19.3 -35.0 31.2 13.2 38 60 A L G <4 S+ 0 0 14 -3,-2.7 -2,-0.2 42,-0.2 36,-0.1 0.653 97.0 73.4 -83.1 -17.7 -37.9 28.9 12.3 39 61 A L S << S- 0 0 57 -3,-1.8 35,-0.2 -4,-0.5 33,-0.0 -0.432 97.3 -75.1 -94.4 168.7 -40.0 31.8 10.8 40 62 A P - 0 0 47 0, 0.0 1113,-0.8 0, 0.0 2,-0.5 -0.239 36.6-143.7 -66.0 153.1 -39.5 33.6 7.5 41 63 A Q E -AB 721152A 39 31,-2.4 31,-1.2 1111,-0.2 2,-0.4 -0.955 16.4-172.1-121.6 112.9 -36.8 36.3 7.0 42 64 A L E +AB 711151A 60 1109,-3.7 1108,-2.9 -2,-0.5 1109,-1.0 -0.877 14.5 154.3-109.7 133.9 -37.6 39.3 4.8 43 65 A G E -AB 701149A 20 27,-2.0 27,-3.3 -2,-0.4 2,-0.4 -0.960 30.0-144.1-162.1 138.6 -35.0 41.9 3.7 44 66 A L E +AB 691148A 64 1104,-3.0 1104,-3.0 -2,-0.3 2,-0.3 -0.901 23.1 177.3-109.8 131.7 -34.4 44.4 0.9 45 67 A G E -AB 681147A 14 23,-2.6 23,-2.8 -2,-0.4 2,-0.3 -0.951 8.5-171.7-134.5 151.3 -30.9 45.1 -0.4 46 68 A A E -AB 671146A 29 1100,-2.6 1100,-1.5 -2,-0.3 2,-0.3 -0.977 5.2-164.8-143.8 154.8 -29.4 47.2 -3.2 47 69 A D E -AB 661145A 68 19,-2.5 19,-1.9 -2,-0.3 2,-0.4 -0.998 10.9-170.1-146.9 138.8 -26.0 47.6 -4.7 48 70 A Y E +AB 651144A 82 1096,-1.8 1096,-2.1 -2,-0.3 2,-0.4 -1.000 11.2 178.5-128.5 136.0 -24.0 49.9 -6.9 49 71 A T E -AB 641143A 48 15,-2.7 15,-3.4 -2,-0.4 2,-0.7 -0.966 12.9-169.7-138.4 119.1 -20.6 49.1 -8.3 50 72 A Y E -AB 631142A 89 1092,-3.1 1092,-2.7 -2,-0.4 13,-0.3 -0.938 19.1-176.7-102.8 109.7 -18.4 51.2 -10.6 51 73 A S E - B 01141A 13 11,-3.0 2,-0.4 -2,-0.7 1090,-0.3 -0.680 12.2-156.8-101.2 160.7 -15.5 49.1 -11.8 52 74 A N E - B 01140A 55 1088,-1.6 1088,-2.5 -2,-0.2 9,-0.2 -0.919 15.4-139.4-145.4 113.0 -12.7 50.3 -14.0 53 75 A G E + B 01139A 4 7,-0.4 2,-0.3 -2,-0.4 1086,-0.2 -0.205 20.1 174.9 -80.0 157.7 -10.7 47.9 -16.2 54 76 A Y + 0 0 63 1084,-2.1 1084,-0.3 3,-0.5 4,-0.2 -0.950 50.9 28.3-155.3 145.5 -7.0 47.5 -17.2 55 77 A R S S- 0 0 125 -2,-0.3 2,-0.8 1,-0.2 -1,-0.3 0.907 129.5 -19.4 70.9 106.7 -4.9 45.0 -19.2 56 78 A D S S+ 0 0 82 1,-0.2 -1,-0.2 1081,-0.1 1081,-0.1 0.294 147.9 53.7 36.4 -6.4 -6.7 43.2 -22.1 57 79 A A S S+ 0 0 2 -2,-0.8 -3,-0.5 1079,-0.3 1081,-0.3 -0.480 89.2 117.1-124.0 57.2 -9.8 44.2 -20.2 58 80 A N + 0 0 91 -5,-0.2 -5,-0.3 -4,-0.2 206,-0.1 0.931 68.4 29.3 -90.7 -86.4 -8.6 47.8 -20.3 59 81 A G S S+ 0 0 7 204,-0.1 207,-1.2 -7,-0.1 2,-0.6 0.542 106.1 90.7 -59.5 -7.0 -10.6 50.4 -22.2 60 82 A I + 0 0 57 205,-0.2 -7,-0.4 204,-0.1 2,-0.3 -0.847 54.9 146.1 -90.4 121.2 -13.6 48.3 -21.3 61 83 A N - 0 0 23 -2,-0.6 201,-2.0 -9,-0.2 2,-0.3 -0.985 20.5-171.2-157.1 152.9 -15.1 49.4 -17.9 62 84 A S E - C 0 261A 10 -2,-0.3 -11,-3.0 199,-0.2 2,-0.4 -0.966 21.8-142.9-146.9 152.2 -18.6 49.6 -16.3 63 85 A N E -AC 50 260A 56 197,-1.2 197,-1.4 -2,-0.3 2,-0.4 -0.982 27.3-167.3-117.0 138.7 -20.8 50.7 -13.5 64 86 A A E -AC 49 259A 25 -15,-3.4 -15,-2.7 -2,-0.4 2,-0.3 -0.961 8.6-166.6-132.6 140.0 -23.7 48.5 -12.4 65 87 A T E +AC 48 258A 79 193,-2.3 193,-2.2 -2,-0.4 2,-0.3 -0.890 12.6 163.9-123.6 151.7 -26.8 48.8 -10.2 66 88 A S E -AC 47 257A 38 -19,-1.9 -19,-2.5 -2,-0.3 2,-0.3 -0.976 12.9-171.7-158.5 159.8 -29.2 46.3 -8.7 67 89 A A E +AC 46 256A 35 189,-1.7 189,-2.1 -2,-0.3 2,-0.3 -0.969 12.5 173.0-150.2 150.4 -31.9 45.9 -6.0 68 90 A S E -AC 45 255A 30 -23,-2.8 -23,-2.6 -2,-0.3 2,-0.6 -0.974 28.9-135.1-162.1 148.3 -33.7 42.9 -4.7 69 91 A L E -AC 44 254A 61 185,-2.5 185,-1.8 -2,-0.3 2,-0.4 -0.921 31.0-158.8-105.7 116.7 -36.2 41.7 -2.0 70 92 A Q E -AC 43 253A 79 -27,-3.3 -27,-2.0 -2,-0.6 2,-0.4 -0.810 13.7-173.1-105.4 136.3 -35.1 38.4 -0.3 71 93 A L E -AC 42 252A 57 181,-3.6 181,-2.5 -2,-0.4 2,-0.3 -0.952 5.9-174.9-114.4 139.9 -37.1 35.8 1.6 72 94 A T E -AC 41 251A 58 -31,-1.2 -31,-2.4 -2,-0.4 2,-0.3 -0.987 2.2-179.5-131.5 148.9 -35.5 32.9 3.4 73 95 A Q E - C 0 250A 48 177,-3.4 177,-3.3 -2,-0.3 2,-1.1 -0.973 23.5-137.7-151.4 127.1 -37.3 30.0 5.2 74 96 A S E - C 0 249A 12 -2,-0.3 175,-0.2 -37,-0.3 3,-0.2 -0.739 18.6-178.3 -96.1 96.2 -35.8 27.0 7.1 75 97 A I E S- 0 0 82 -2,-1.1 2,-0.3 173,-0.5 174,-0.2 0.931 72.2 -1.4 -59.4 -56.2 -37.8 23.9 6.1 76 98 A F E + C 0 248A 87 172,-1.9 172,-2.5 4,-0.0 2,-0.3 -0.940 66.2 142.2-142.9 128.6 -35.9 21.5 8.4 77 99 A D > - 0 0 23 -2,-0.3 4,-1.1 -3,-0.2 3,-0.4 -0.815 29.8-157.1-154.8 114.2 -33.0 22.0 10.8 78 100 A M H > S+ 0 0 95 168,-0.4 4,-2.4 -2,-0.3 5,-0.2 0.790 89.6 62.1 -66.4 -30.1 -33.0 20.1 14.0 79 101 A S H > S+ 0 0 43 163,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.888 101.1 52.7 -61.4 -42.4 -30.6 22.5 15.8 80 102 A K H > S+ 0 0 51 -3,-0.4 4,-1.2 2,-0.2 -1,-0.2 0.845 110.4 47.9 -65.8 -35.5 -33.1 25.4 15.4 81 103 A W H X S+ 0 0 127 -4,-1.1 4,-2.4 2,-0.2 3,-0.4 0.940 112.3 47.9 -67.9 -48.8 -35.9 23.3 17.0 82 104 A R H X S+ 0 0 65 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.857 105.7 60.1 -59.0 -39.4 -33.7 22.2 19.9 83 105 A A H X S+ 0 0 37 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.881 109.1 43.8 -54.1 -43.2 -32.7 25.8 20.4 84 106 A L H >X S+ 0 0 10 -4,-1.2 4,-2.2 -3,-0.4 3,-1.1 0.980 111.5 51.1 -66.1 -59.4 -36.3 26.6 21.0 85 107 A T H 3X S+ 0 0 45 -4,-2.4 4,-2.0 1,-0.3 -2,-0.2 0.859 109.5 54.1 -44.2 -42.4 -37.0 23.6 23.3 86 108 A L H 3X S+ 0 0 17 -4,-2.8 4,-2.3 1,-0.2 -1,-0.3 0.850 106.8 49.2 -65.5 -35.7 -34.0 24.7 25.3 87 109 A Q H X S+ 0 0 0 -4,-3.2 4,-1.9 1,-0.2 3,-0.7 0.979 112.7 43.7 -59.5 -59.1 -39.9 40.9 62.2 114 136 A F H 3X S+ 0 0 2 -4,-3.4 4,-1.8 1,-0.3 -1,-0.2 0.674 108.8 59.2 -66.5 -19.1 -39.1 38.5 64.9 115 137 A N H 3X S+ 0 0 85 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.3 0.858 105.6 48.6 -73.1 -36.7 -35.6 40.0 65.3 116 138 A V H X S+ 0 0 18 -4,-2.7 4,-1.5 2,-0.2 3,-0.7 0.877 112.7 56.8 -73.5 -41.0 -30.2 46.6 90.5 134 156 A Y H 3X S+ 0 0 99 -4,-2.3 4,-2.8 -5,-0.3 3,-0.4 0.910 99.3 56.8 -57.3 -47.4 -31.0 50.3 91.3 135 157 A R H 3X S+ 0 0 120 -4,-2.7 4,-1.7 1,-0.3 -1,-0.2 0.775 106.0 52.8 -58.9 -27.4 -33.4 49.4 94.2 136 158 A Q H <> S+ 0 0 27 -3,-0.7 4,-1.7 -4,-0.5 -1,-0.3 0.863 110.7 46.5 -72.4 -39.9 -30.6 47.5 95.8 137 159 A L H X S+ 0 0 6 -4,-1.5 4,-2.1 -3,-0.4 -2,-0.2 0.907 110.4 53.3 -67.5 -43.7 -28.3 50.5 95.6 138 160 A D H X S+ 0 0 56 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.941 111.6 44.3 -56.7 -52.6 -31.0 52.9 96.9 139 161 A Q H X S+ 0 0 65 -4,-1.7 4,-3.0 1,-0.2 -1,-0.2 0.886 113.7 50.7 -60.4 -41.8 -31.7 50.8 100.0 140 162 A T H < S+ 0 0 21 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.801 107.5 52.7 -68.8 -31.4 -27.9 50.4 100.7 141 163 A T H X S+ 0 0 55 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.817 113.1 45.2 -73.7 -31.1 -27.3 54.1 100.4 142 164 A Q H X S+ 0 0 114 -4,-1.6 4,-1.0 2,-0.2 3,-0.3 0.953 110.8 52.0 -69.3 -53.6 -30.0 54.7 103.0 143 165 A R H < S+ 0 0 101 -4,-3.0 6,-0.7 1,-0.2 -1,-0.2 0.521 111.0 52.9 -61.0 -6.7 -28.7 51.9 105.2 144 166 A F H >4 S+ 0 0 73 -4,-0.2 3,-0.7 4,-0.2 -1,-0.2 0.843 94.1 63.9 -93.9 -44.7 -25.3 53.6 104.9 145 167 A N H 3< S+ 0 0 126 -4,-1.5 2,-0.4 1,-0.3 -2,-0.2 0.780 110.3 41.7 -53.0 -32.4 -26.2 57.2 106.0 146 168 A V T 3< S- 0 0 119 -4,-1.0 -1,-0.3 1,-0.2 2,-0.1 -0.647 119.5 -99.6-116.6 71.0 -27.1 55.9 109.4 147 169 A G S < S+ 0 0 50 -3,-0.7 2,-3.0 -2,-0.4 -1,-0.2 -0.273 83.6 110.6 62.1-132.7 -24.2 53.4 110.1 148 170 A L S S+ 0 0 155 -3,-0.1 2,-0.3 -2,-0.1 -4,-0.2 -0.148 76.6 42.5 66.6 -49.6 -25.1 49.7 109.5 149 171 A V S S- 0 0 46 -2,-3.0 -2,-0.1 -6,-0.7 5,-0.0 -0.939 72.1-124.8-132.7 156.4 -23.0 49.0 106.4 150 172 A A - 0 0 36 -2,-0.3 4,-0.4 1074,-0.1 3,-0.3 0.049 35.7-104.3 -76.1-170.8 -19.5 49.7 105.0 151 173 A I S > S+ 0 0 82 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.584 115.7 77.2 -90.2 -15.1 -18.5 51.4 101.7 152 174 A T T 4 S+ 0 0 9 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.452 96.5 49.9 -68.4 -0.1 -17.6 47.9 100.5 153 175 A D T > S+ 0 0 36 -3,-0.3 4,-1.3 2,-0.1 -1,-0.2 0.727 108.1 49.7-101.2 -38.8 -21.4 47.5 100.2 154 176 A V H > S+ 0 0 21 -4,-0.4 4,-1.1 1,-0.2 -2,-0.2 0.917 108.8 50.4 -68.6 -45.9 -22.1 50.8 98.3 155 177 A Q H X S+ 0 0 30 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.787 106.5 54.6 -69.8 -31.3 -19.4 50.2 95.5 156 178 A N H > S+ 0 0 38 -5,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.911 113.3 43.1 -62.6 -44.4 -20.6 46.7 94.8 157 179 A A H < S+ 0 0 2 -4,-1.3 -2,-0.2 1,-0.2 4,-0.2 0.648 118.2 47.1 -76.5 -17.3 -24.1 48.1 94.2 158 180 A R H X S+ 0 0 114 -4,-1.1 4,-2.5 2,-0.1 -2,-0.2 0.839 110.6 48.5 -91.0 -40.5 -22.6 51.0 92.3 159 181 A A H X S+ 0 0 5 -4,-3.1 4,-2.6 1049,-0.2 3,-0.2 0.986 114.0 45.5 -61.0 -58.9 -20.3 49.1 90.0 160 182 A Q H X S+ 0 0 77 -4,-1.6 4,-1.4 1,-0.3 -1,-0.2 0.745 114.5 51.5 -57.6 -27.4 -22.9 46.5 88.9 161 183 A Y H > S+ 0 0 41 -4,-0.2 4,-1.4 2,-0.2 -1,-0.3 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