==== 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 2VDE . 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) . 60504.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1059 82.5 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 . 164 12.8 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 . 38 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 725 56.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 0.9 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 2 1 0 1 1 0 3 4 0 0 0 1 0 0 0 0 0 5 0 0 0 1 0 0 0 0 11 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 3 1 7 1 1 2 0 1 0 3 1 0 0 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 0 0 0 1 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 79 0, 0.0 193,-1.8 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-174.6 1.2 65.6 3.0 2 24 A N > - 0 0 25 191,-0.2 4,-3.1 417,-0.1 5,-0.2 -0.449 360.0 -95.7-104.4 173.8 4.8 66.5 3.4 3 25 A L H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.912 124.0 48.5 -52.0 -51.3 8.1 64.7 4.2 4 26 A M H > S+ 0 0 24 408,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.929 114.1 45.5 -55.3 -51.0 7.9 65.5 7.9 5 27 A Q H > S+ 0 0 86 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.896 108.1 56.1 -63.3 -44.1 4.3 64.3 8.1 6 28 A V H X S+ 0 0 0 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.875 106.4 52.2 -58.1 -38.4 4.8 61.1 6.1 7 29 A Y H X S+ 0 0 12 -4,-1.8 4,-3.7 -5,-0.2 3,-0.4 0.933 105.6 52.7 -62.1 -48.3 7.6 60.1 8.6 8 30 A Q H X S+ 0 0 60 -4,-1.6 4,-0.9 1,-0.3 -1,-0.2 0.797 109.9 50.5 -58.6 -30.9 5.3 60.6 11.7 9 31 A Q H X S+ 0 0 51 -4,-1.5 4,-0.5 2,-0.1 -1,-0.3 0.810 117.5 39.1 -74.8 -32.3 2.7 58.3 10.0 10 32 A A H X S+ 0 0 0 -4,-1.4 4,-2.2 -3,-0.4 -2,-0.2 0.805 103.6 68.7 -86.4 -34.1 5.4 55.7 9.4 11 33 A R H < S+ 0 0 100 -4,-3.7 -3,-0.1 1,-0.2 -2,-0.1 0.896 110.3 33.7 -51.5 -47.5 7.3 56.1 12.7 12 34 A L H < S+ 0 0 105 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.721 125.7 41.2 -82.9 -22.9 4.4 54.6 14.7 13 35 A S H < S+ 0 0 31 -4,-0.5 -2,-0.2 173,-0.1 -1,-0.2 0.495 78.2 119.2-106.8 -6.5 3.1 52.1 12.0 14 36 A N X - 0 0 6 -4,-2.2 4,-1.6 1,-0.1 5,-0.1 -0.497 49.0-155.9 -71.4 123.8 6.3 50.6 10.6 15 37 A P H > S+ 0 0 1 0, 0.0 4,-1.3 0, 0.0 1161,-0.1 0.768 90.0 53.0 -67.5 -29.6 6.5 46.8 11.1 16 38 A E H > S+ 0 0 92 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.928 110.4 43.6 -74.4 -47.2 10.3 46.7 10.9 17 39 A L H > S+ 0 0 12 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.881 115.3 50.7 -66.0 -37.0 11.1 49.3 13.5 18 40 A R H X S+ 0 0 115 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.792 108.6 50.9 -73.0 -30.7 8.5 47.9 15.8 19 41 A K H X S+ 0 0 58 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.872 107.8 54.1 -68.4 -41.1 9.9 44.4 15.4 20 42 A S H X S+ 0 0 6 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.910 105.9 52.9 -57.7 -44.9 13.4 45.8 16.3 21 43 A A H X S+ 0 0 17 -4,-1.9 4,-3.1 1,-0.2 3,-0.2 0.922 106.7 51.8 -55.2 -48.9 11.8 47.3 19.5 22 44 A A H X S+ 0 0 3 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.847 108.3 52.0 -58.4 -37.8 10.5 43.8 20.5 23 45 A D H X S+ 0 0 50 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.846 113.5 44.1 -67.1 -35.6 14.0 42.4 20.0 24 46 A R H X S+ 0 0 49 -4,-1.8 4,-2.0 -3,-0.2 -2,-0.2 0.881 112.1 51.9 -74.6 -40.7 15.4 45.0 22.2 25 47 A D H X S+ 0 0 47 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.848 110.0 48.9 -67.9 -35.6 12.7 44.7 24.8 26 48 A A H X S+ 0 0 22 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.918 109.2 54.3 -64.7 -44.4 13.2 41.0 25.1 27 49 A A H < S+ 0 0 13 -4,-1.4 4,-0.4 1,-0.2 64,-0.2 0.861 110.9 44.0 -58.5 -42.7 16.9 41.5 25.4 28 50 A F H >< S+ 0 0 95 -4,-2.0 3,-1.3 1,-0.2 4,-0.3 0.878 109.6 56.0 -71.2 -36.8 16.5 43.9 28.4 29 51 A E H >X S+ 0 0 22 -4,-1.7 3,-1.5 1,-0.3 4,-0.7 0.807 96.6 66.9 -65.7 -27.3 13.9 41.6 30.0 30 52 A K H 3X S+ 0 0 72 -4,-1.6 4,-3.0 1,-0.3 -1,-0.3 0.719 78.7 78.5 -66.2 -22.7 16.5 38.8 29.9 31 53 A I H <> S+ 0 0 18 -3,-1.3 4,-1.1 -4,-0.4 -1,-0.3 0.771 94.0 53.0 -59.2 -22.8 18.7 40.6 32.4 32 54 A N H <> S+ 0 0 51 -3,-1.5 4,-1.8 -4,-0.3 -1,-0.2 0.916 106.9 48.2 -75.6 -48.2 16.1 39.2 34.9 33 55 A E H < S+ 0 0 41 -4,-0.7 3,-0.4 1,-0.2 -2,-0.2 0.949 114.0 49.2 -53.0 -47.8 16.5 35.7 33.7 34 56 A A H < S+ 0 0 14 -4,-3.0 50,-0.2 1,-0.2 -1,-0.2 0.815 113.0 46.4 -63.4 -32.6 20.3 36.2 33.9 35 57 A R H >< S+ 0 0 95 -4,-1.1 3,-1.8 -5,-0.2 4,-0.3 0.732 93.5 82.6 -79.3 -24.2 20.0 37.7 37.5 36 58 A S G >< S+ 0 0 3 -4,-1.8 3,-1.6 -3,-0.4 -1,-0.2 0.773 78.7 61.7 -59.2 -37.0 17.7 34.9 38.7 37 59 A P G 3 S+ 0 0 47 0, 0.0 37,-0.4 0, 0.0 -1,-0.3 0.658 97.5 61.6 -65.1 -14.1 20.4 32.2 39.6 38 60 A L G < S+ 0 0 21 -3,-1.8 -2,-0.2 42,-0.1 3,-0.1 0.577 97.4 73.5 -84.7 -10.2 21.9 34.6 42.1 39 61 A L S < S- 0 0 66 -3,-1.6 35,-0.3 -4,-0.3 33,-0.1 -0.596 100.6 -72.7-101.2 164.4 18.6 34.6 44.1 40 62 A P - 0 0 47 0, 0.0 1113,-1.5 0, 0.0 2,-0.4 -0.124 37.5-149.4 -57.2 151.2 17.1 31.8 46.3 41 63 A Q E -AB 721152A 42 31,-1.6 31,-1.1 1111,-0.2 2,-0.3 -0.770 16.3-172.8-128.9 84.0 15.7 28.8 44.6 42 64 A L E +AB 711151A 54 1109,-2.0 1108,-1.4 -2,-0.4 1109,-1.3 -0.583 9.1 170.8 -83.5 138.0 12.8 27.3 46.7 43 65 A G E -AB 701149A 19 27,-2.9 27,-2.5 -2,-0.3 2,-0.4 -0.985 23.4-146.4-152.0 137.0 11.2 23.9 45.6 44 66 A L E -AB 691148A 67 1104,-2.9 1104,-2.5 -2,-0.3 2,-0.3 -0.819 22.8-180.0-102.7 142.7 8.8 21.4 47.0 45 67 A G E -AB 681147A 9 23,-1.9 23,-1.9 -2,-0.4 2,-0.3 -0.979 11.7-170.4-143.9 153.8 9.1 17.6 46.4 46 68 A A E -AB 671146A 33 1100,-2.2 1100,-2.5 -2,-0.3 2,-0.3 -0.998 6.0-172.9-147.9 141.0 7.3 14.3 47.2 47 69 A D E -AB 661145A 73 19,-2.6 19,-1.8 -2,-0.3 2,-0.3 -0.907 11.8-172.6-131.6 156.9 8.1 10.6 46.8 48 70 A Y E +AB 651144A 81 1096,-1.3 1096,-2.3 -2,-0.3 2,-0.4 -0.874 13.9 178.4-147.6 121.6 6.6 7.2 47.2 49 71 A T E -AB 641143A 52 15,-2.8 15,-2.4 -2,-0.3 2,-0.5 -0.962 16.3-162.0-125.1 139.2 8.5 3.9 46.8 50 72 A Y E -AB 631142A 79 1092,-2.6 1092,-1.1 -2,-0.4 2,-0.4 -0.960 15.2-167.2-116.0 112.2 7.5 0.3 47.2 51 73 A S E -AB 621141A 15 11,-1.5 11,-2.1 -2,-0.5 2,-0.4 -0.807 1.5-165.0 -99.9 141.1 10.5 -2.1 47.6 52 74 A N E - B 01140A 42 1088,-1.1 1088,-0.8 -2,-0.4 9,-0.2 -0.980 21.2-108.9-130.3 138.9 10.1 -5.9 47.3 53 75 A G + 0 0 8 -2,-0.4 5,-0.2 7,-0.3 1086,-0.2 -0.139 34.7 164.1 -68.8 158.6 12.5 -8.7 48.4 54 76 A Y - 0 0 89 1084,-0.4 -1,-0.1 4,-0.0 1085,-0.1 0.502 64.9 -17.6-133.2 -82.1 14.6 -11.0 46.2 55 77 A R S > S+ 0 0 136 1083,-0.1 3,-1.2 3,-0.1 1082,-0.2 0.710 139.5 3.5-104.0 -93.6 17.5 -13.1 47.5 56 78 A D T 3 S+ 0 0 84 1080,-1.1 1081,-0.2 1,-0.3 -3,-0.1 0.493 137.4 55.7 -73.5 -2.4 18.9 -12.0 50.9 57 79 A A T > S+ 0 0 9 1079,-0.1 3,-1.9 -5,-0.1 -1,-0.3 0.504 79.3 135.4 -99.1 -10.4 16.0 -9.5 50.8 58 80 A N T < S+ 0 0 115 -3,-1.2 3,-0.1 1,-0.3 -3,-0.1 -0.135 71.7 18.0 -50.1 118.3 13.5 -12.3 50.3 59 81 A G T 3 S+ 0 0 15 1,-0.2 2,-0.5 203,-0.0 -1,-0.3 0.534 99.0 109.7 94.2 9.3 10.4 -11.7 52.5 60 82 A I < + 0 0 40 -3,-1.9 -7,-0.3 203,-0.2 2,-0.3 -0.965 38.4 168.4-120.6 116.8 11.1 -8.0 53.2 61 83 A N E - C 0 262A 35 201,-2.1 201,-2.0 -2,-0.5 2,-0.3 -0.862 11.2-163.7-120.2 157.4 8.8 -5.3 51.6 62 84 A S E -AC 51 261A 21 -11,-2.1 -11,-1.5 -2,-0.3 2,-0.5 -0.999 17.0-159.7-146.2 144.8 8.5 -1.6 52.3 63 85 A N E +AC 50 260A 74 197,-1.9 197,-1.5 -2,-0.3 2,-0.5 -0.921 25.8 174.3-123.5 103.7 6.2 1.4 51.7 64 86 A A E +AC 49 259A 22 -15,-2.4 -15,-2.8 -2,-0.5 2,-0.3 -0.944 10.7 178.7-119.5 124.0 7.9 4.7 52.0 65 87 A T E -AC 48 258A 62 193,-1.5 193,-2.2 -2,-0.5 2,-0.3 -0.891 8.0-177.9-113.0 153.1 6.6 8.2 51.4 66 88 A S E -AC 47 257A 41 -19,-1.8 -19,-2.6 -2,-0.3 2,-0.3 -0.996 12.0-171.1-149.4 146.3 8.6 11.5 51.8 67 89 A A E +AC 46 256A 45 189,-3.1 189,-1.0 -2,-0.3 2,-0.3 -0.970 13.7 176.3-142.6 126.2 8.0 15.3 51.4 68 90 A S E -AC 45 255A 32 -23,-1.9 -23,-1.9 -2,-0.3 2,-0.5 -0.835 28.7-142.5-127.7 161.8 10.6 18.0 51.6 69 91 A L E -AC 44 254A 76 185,-1.3 185,-1.4 -2,-0.3 -25,-0.2 -0.884 33.2-170.1-125.4 95.3 10.9 21.8 51.2 70 92 A Q E -AC 43 253A 100 -27,-2.5 -27,-2.9 -2,-0.5 2,-0.3 -0.549 11.4-177.4 -92.7 152.5 14.3 22.4 49.5 71 93 A L E -AC 42 252A 41 181,-1.6 181,-2.1 -29,-0.2 2,-0.4 -0.976 7.3-164.5-148.8 130.4 16.1 25.7 48.9 72 94 A T E -AC 41 251A 68 -31,-1.1 -31,-1.6 -2,-0.3 2,-0.4 -0.977 7.1-179.5-118.8 132.4 19.4 26.5 47.1 73 95 A Q E - C 0 250A 50 177,-3.2 177,-0.8 -2,-0.4 2,-0.2 -0.926 22.6-137.2-135.2 108.8 21.3 29.7 47.5 74 96 A S E + C 0 249A 13 -37,-0.4 175,-0.2 -2,-0.4 3,-0.1 -0.422 22.3 178.9 -62.7 127.5 24.5 30.4 45.6 75 97 A I E + 0 0 76 173,-2.1 2,-0.6 1,-0.3 174,-0.2 0.827 68.6 6.1 -92.3 -81.0 27.2 32.0 47.8 76 98 A F E S+ C 0 248A 81 172,-1.1 172,-1.7 4,-0.0 -1,-0.3 -0.923 74.4 135.7-111.5 115.8 30.4 32.4 45.7 77 99 A D > - 0 0 13 -2,-0.6 4,-1.3 170,-0.2 3,-0.3 -0.731 28.2-170.1-157.1 99.9 30.2 31.6 42.0 78 100 A M H > S+ 0 0 71 168,-0.4 4,-3.1 1,-0.2 5,-0.2 0.865 86.0 60.7 -61.9 -38.5 31.8 34.0 39.5 79 101 A S H > S+ 0 0 55 163,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.889 104.8 48.4 -56.6 -43.2 30.3 32.3 36.5 80 102 A K H > S+ 0 0 58 -3,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.819 114.8 46.0 -68.3 -31.6 26.7 33.0 37.7 81 103 A W H X S+ 0 0 136 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.849 111.2 53.5 -72.7 -36.7 27.8 36.6 38.3 82 104 A R H X S+ 0 0 40 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.816 100.8 59.8 -67.8 -34.2 29.4 36.6 34.9 83 105 A A H X S+ 0 0 44 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.864 106.8 47.7 -60.1 -39.2 26.2 35.4 33.2 84 106 A L H X S+ 0 0 16 -4,-0.8 4,-1.6 -50,-0.2 -2,-0.2 0.883 109.6 50.7 -70.5 -45.0 24.4 38.5 34.4 85 107 A T H X S+ 0 0 45 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.909 111.7 50.5 -58.2 -41.6 27.1 41.0 33.4 86 108 A L H X S+ 0 0 18 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.895 105.9 53.1 -67.2 -42.2 27.0 39.4 29.9 87 109 A Q H X S+ 0 0 36 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.850 109.2 50.3 -63.0 -35.3 23.3 39.6 29.5 88 110 A E H X S+ 0 0 88 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.944 110.9 47.4 -66.6 -49.8 23.4 43.4 30.3 89 111 A K H X S+ 0 0 68 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.805 111.0 54.5 -59.3 -32.1 26.1 44.0 27.7 90 112 A A H X S+ 0 0 32 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.913 107.8 48.1 -64.1 -46.4 24.0 41.9 25.3 91 113 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 -64,-0.2 -2,-0.2 0.824 110.2 53.5 -64.0 -33.2 21.0 44.2 26.0 92 114 A G H X S+ 0 0 25 -4,-2.1 4,-1.9 2,-0.2 5,-0.2 0.942 107.5 47.9 -66.7 -49.3 23.2 47.2 25.4 93 115 A I H X S+ 0 0 22 -4,-2.0 4,-1.3 1,-0.3 -2,-0.2 0.841 111.2 53.7 -62.0 -31.6 24.5 46.0 22.0 94 116 A Q H X S+ 0 0 58 -4,-1.7 4,-2.1 2,-0.2 -1,-0.3 0.874 104.2 55.5 -66.5 -36.9 20.8 45.4 21.2 95 117 A D H X S+ 0 0 53 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.892 106.2 49.0 -64.9 -41.8 20.0 49.0 22.2 96 118 A V H X S+ 0 0 6 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.820 107.8 56.3 -67.1 -31.5 22.5 50.4 19.7 97 119 A T H X S+ 0 0 40 -4,-1.3 4,-1.9 -5,-0.2 -2,-0.2 0.936 108.1 48.1 -62.0 -44.7 21.0 48.0 17.1 98 120 A Y H X S+ 0 0 40 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.922 109.0 51.6 -60.9 -48.5 17.6 49.7 17.8 99 121 A Q H X S+ 0 0 69 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.896 109.3 52.0 -53.3 -42.9 19.0 53.2 17.5 100 122 A T H X S+ 0 0 35 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.883 108.7 50.8 -62.7 -38.9 20.5 52.2 14.2 101 123 A D H X S+ 0 0 56 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.824 102.4 59.0 -68.9 -34.9 17.1 51.0 13.1 102 124 A Q H X S+ 0 0 77 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.938 109.8 45.9 -55.7 -46.7 15.4 54.2 14.1 103 125 A Q H X S+ 0 0 19 -4,-1.6 4,-2.8 1,-0.2 5,-0.3 0.911 104.6 58.4 -61.8 -49.7 17.7 56.0 11.6 104 126 A T H X S+ 0 0 53 -4,-2.0 4,-3.4 1,-0.2 -1,-0.2 0.861 104.8 52.7 -54.5 -38.5 17.3 53.6 8.7 105 127 A L H X S+ 0 0 8 -4,-1.6 4,-3.3 2,-0.2 -1,-0.2 0.960 109.6 48.2 -60.7 -51.2 13.5 54.3 8.8 106 128 A I H X S+ 0 0 6 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.944 117.3 42.0 -51.1 -54.5 14.2 58.1 8.6 107 129 A L H X S+ 0 0 29 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.890 115.7 49.8 -61.8 -42.1 16.7 57.5 5.7 108 130 A N H X S+ 0 0 76 -4,-3.4 4,-1.9 -5,-0.3 -2,-0.2 0.874 109.3 51.5 -66.2 -38.5 14.4 55.0 4.0 109 131 A T H >X S+ 0 0 0 -4,-3.3 4,-2.4 2,-0.2 3,-0.7 0.995 108.8 49.5 -59.7 -65.2 11.4 57.2 4.2 110 132 A A H 3X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.3 -1,-0.2 0.816 110.6 51.7 -39.0 -46.2 13.1 60.2 2.6 111 133 A T H 3< S+ 0 0 51 -4,-1.8 4,-0.5 2,-0.2 -1,-0.3 0.922 111.8 45.3 -62.0 -44.8 14.4 58.0 -0.2 112 134 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 3,-0.8 0.959 111.9 46.5 -62.2 -56.9 9.3 60.1 -0.8 114 136 A F H 3X S+ 0 0 8 -4,-2.5 4,-0.7 1,-0.3 -1,-0.2 0.542 108.6 59.5 -68.3 -7.6 11.8 61.8 -3.1 115 137 A N H 3> S+ 0 0 79 -4,-0.5 4,-1.8 2,-0.2 -1,-0.3 0.778 105.7 45.8 -82.9 -35.1 11.4 58.8 -5.4 116 138 A V H X S+ 0 0 123 -4,-3.1 4,-2.1 2,-0.2 3,-0.8 0.867 108.9 56.5 -76.2 -36.9 3.1 68.0 -26.2 132 154 A A H 3X S+ 0 0 9 -4,-1.0 4,-2.3 1,-0.2 -1,-0.2 0.896 110.4 45.3 -59.2 -41.1 5.9 70.2 -27.6 133 155 A I H 3X S+ 0 0 6 -4,-0.8 4,-1.3 2,-0.2 -1,-0.2 0.456 107.2 59.1 -88.0 -1.1 6.4 67.7 -30.4 134 156 A Y H <> S+ 0 0 111 -3,-0.8 4,-3.6 -4,-0.2 5,-0.2 0.851 108.5 43.2 -86.9 -45.2 2.7 67.5 -31.1 135 157 A R H X S+ 0 0 174 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.991 113.9 55.1 -52.9 -57.1 2.5 71.1 -31.8 136 158 A Q H < S+ 0 0 10 -4,-2.3 -2,-0.2 -5,-0.2 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43.6-147.0 -56.7 143.9 41.2 12.1 33.1 470 63 B Q E -GH 294 501A 36 31,-2.8 31,-2.2 -176,-0.2 2,-0.8 -0.947 13.6-169.2-119.6 109.3 38.9 14.5 35.0 471 64 B L E +GH 293 500A 53 -178,-3.5 -179,-2.6 -2,-0.5 -178,-1.8 -0.822 13.0 166.2-110.8 97.9 40.1 15.5 38.5 472 65 B G E -GH 291 499A 24 27,-2.3 27,-3.0 -2,-0.8 2,-0.3 -0.552 14.8-162.0 -99.6 169.5 37.7 17.3 40.8 473 66 B L E +GH 290 498A 62 -183,-0.8 -183,-2.9 25,-0.2 2,-0.3 -0.982 12.1 169.4-147.3 150.1 37.8 18.1 44.5 474 67 B G - 0 0 14 23,-1.6 -185,-0.2 -2,-0.3 2,-0.2 -0.852 20.9-154.6-169.3 131.6 35.1 19.1 47.0 475 68 B A - 0 0 42 -2,-0.3 -187,-0.5 21,-0.2 21,-0.3 -0.547 15.5-165.4 -93.4 167.1 34.4 19.6 50.7 476 69 B D E - I 0 495A 69 19,-1.8 19,-0.7 -189,-0.2 2,-0.2 -0.651 7.9-176.5-163.7 94.0 30.9 19.4 52.2 477 70 B Y E + I 0 494A 93 17,-0.2 -191,-0.6 -2,-0.2 2,-0.3 -0.641 15.4 170.4 -85.2 151.9 29.7 20.6 55.6 478 71 B T E -FI 285 493A 48 15,-1.3 15,-1.1 -2,-0.2 2,-0.4 -0.977 21.3-148.5-160.3 156.3 26.1 19.9 56.7 479 72 B Y E -FI 284 492A 68 -195,-1.6 -195,-1.5 -2,-0.3 13,-0.2 -0.991 12.1-161.6-136.0 125.6 23.9 20.1 59.8 480 73 B S - 0 0 16 11,-2.1 2,-0.3 -2,-0.4 -197,-0.2 -0.558 1.6-160.8-103.4 167.4 20.9 18.0 60.8 481 74 B N - 0 0 57 -2,-0.2 2,-1.5 9,-0.2 -199,-0.8 -0.996 28.8-114.0-149.3 143.8 18.0 18.4 63.3 482 75 B G B +E 281 0A 5 -2,-0.3 6,-0.2 1,-0.2 -201,-0.2 -0.600 42.0 165.1 -78.4 85.9 15.5 16.2 65.0 483 76 B Y S S- 0 0 112 -2,-1.5 -202,-0.2 -203,-1.3 -1,-0.2 0.807 71.4 -16.2 -78.0 -31.4 12.3 17.4 63.4 484 77 B R S > S- 0 0 156 -204,-1.1 3,-1.4 -3,-0.2 -205,-0.2 0.167 136.8 -4.4-132.8-103.4 10.1 14.5 64.5 485 78 B D T 3 S+ 0 0 104 -207,-0.4 -206,-0.1 1,-0.3 -3,-0.1 0.704 121.9 74.1 -70.7 -20.3 11.2 11.0 65.9 486 79 B A T > S+ 0 0 11 -206,-0.4 3,-2.4 -5,-0.1 -1,-0.3 0.566 72.8 143.9 -65.3 -10.2 14.8 12.2 65.2 487 80 B N T < + 0 0 102 -3,-1.4 206,-0.1 1,-0.3 -4,-0.1 0.059 68.0 14.2 -32.9 130.6 14.2 14.4 68.3 488 81 B G T 3 S+ 0 0 21 -6,-0.2 205,-4.4 204,-0.1 2,-0.5 0.489 107.5 99.3 72.0 1.6 17.4 14.8 70.4 489 82 B I < + 0 0 36 -3,-2.4 2,-0.4 203,-0.3 203,-0.1 -0.957 44.7 156.1-117.2 106.3 19.4 13.4 67.5 490 83 B N - 0 0 38 -2,-0.5 201,-0.8 201,-0.5 -9,-0.2 -0.986 20.9-159.2-134.2 127.4 21.0 16.2 65.5 491 84 B S B -U 690 0C 14 -2,-0.4 -11,-2.1 199,-0.2 2,-0.2 -0.464 18.8-168.7 -98.5 162.9 24.2 15.8 63.4 492 85 B N E -I 479 0A 51 197,-1.0 2,-0.4 -13,-0.2 -13,-0.2 -0.720 19.4-180.0-147.0 110.5 27.0 17.8 61.9 493 86 B A E -I 478 0A 23 -15,-1.1 -15,-1.3 -2,-0.2 2,-0.4 -0.871 10.5-166.1-111.0 138.6 29.1 16.0 59.3 494 87 B T E +IJ 477 687A 60 193,-1.6 193,-2.2 -2,-0.4 2,-0.3 -0.963 12.4 176.1-119.3 138.5 32.1 17.3 57.4 495 88 B S E -IJ 476 686A 44 -19,-0.7 -19,-1.8 -2,-0.4 2,-0.3 -0.995 12.0-175.0-145.4 138.9 33.6 15.6 54.3 496 89 B A + 0 0 39 189,-0.7 2,-0.2 -2,-0.3 -21,-0.2 -0.767 14.4 173.8-117.0 169.1 36.4 16.3 51.8 497 90 B S - 0 0 32 -2,-0.3 -23,-1.6 187,-0.2 2,-0.5 -0.788 32.7-133.9-177.3 133.1 37.3 14.2 48.7 498 91 B L E -HK 473 683A 82 185,-1.5 185,-0.6 -2,-0.2 2,-0.5 -0.810 32.2-160.6 -84.6 131.4 39.5 14.0 45.6 499 92 B Q E +HK 472 682A 86 -27,-3.0 -27,-2.3 -2,-0.5 2,-0.4 -0.969 12.6 178.1-120.0 126.4 37.3 12.9 42.7 500 93 B L E -HK 471 681A 51 181,-2.6 181,-2.4 -2,-0.5 2,-0.3 -0.997 3.2-176.9-128.1 132.6 38.7 11.4 39.5 501 94 B T E -HK 470 680A 66 -31,-2.2 -31,-2.8 -2,-0.4 2,-0.3 -0.965 0.9-176.4-123.4 150.3 36.7 10.1 36.5 502 95 B Q E - K 0 679A 49 177,-2.8 177,-2.9 -2,-0.3 2,-0.5 -0.982 22.8-129.3-146.2 129.7 38.1 8.5 33.3 503 96 B S E + K 0 678A 13 -36,-0.4 2,-0.4 -2,-0.3 175,-0.2 -0.664 21.0 179.9 -81.8 124.3 36.3 7.3 30.1 504 97 B I S S- 0 0 72 173,-1.9 173,-0.1 -2,-0.5 -1,-0.0 -0.785 78.2 -15.1-121.3 86.4 37.0 3.8 29.0 505 98 B F S S+ 0 0 106 -2,-0.4 172,-2.3 1,-0.2 2,-0.4 0.954 71.8 154.7 77.2 77.0 34.8 3.4 25.9 506 99 B D >> - 0 0 20 170,-0.2 3,-1.0 -3,-0.1 4,-0.9 -0.923 24.9-166.6-122.2 98.0 32.2 6.2 25.6 507 100 B M H >> S+ 0 0 53 168,-0.5 4,-1.8 -2,-0.4 3,-0.7 0.873 78.5 60.3 -62.2 -42.1 31.8 6.2 21.9 508 101 B S H 3> S+ 0 0 56 163,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.780 101.8 57.2 -57.6 -26.8 29.9 9.5 21.5 509 102 B K H <> S+ 0 0 59 -3,-1.0 4,-1.2 2,-0.2 -1,-0.2 0.868 104.6 48.7 -74.0 -38.5 32.9 11.2 23.0 510 103 B W H S+ 0 0 79 -3,-0.5 4,-2.9 -5,-0.2 5,-0.2 0.880 102.0 49.4 -81.3 -49.4 38.6 50.8 -10.6 545 138 B V H X S+ 0 0 0 -4,-1.4 4,-1.7 62,-0.3 -2,-0.2 0.850 112.5 48.1 -53.3 -41.5 40.9 53.7 -9.8 546 139 B L H X S+ 0 0 1 -4,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.881 112.8 47.1 -72.0 -38.5 42.7 53.3 -13.1 547 140 B N H X S+ 0 0 23 -4,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.869 109.1 54.6 -68.5 -38.2 39.4 53.2 -15.1 548 141 B A H X S+ 0 0 13 -4,-2.9 4,-1.9 1,-0.2 56,-0.2 0.890 107.4 51.9 -58.0 -41.6 38.2 56.2 -13.2 549 142 B I H X S+ 0 0 13 -4,-1.7 4,-3.0 -5,-0.2 -2,-0.2 0.878 108.9 50.1 -63.6 -39.2 41.4 58.0 -14.3 550 143 B D H X S+ 0 0 32 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.877 109.5 49.4 -69.3 -39.3 40.7 57.0 -17.9 551 144 B V H X S+ 0 0 37 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.874 114.5 47.2 -67.4 -35.2 37.1 58.3 -17.8 552 145 B L H >X S+ 0 0 4 -4,-1.9 4,-2.5 48,-0.2 3,-0.5 0.990 113.3 46.7 -66.7 -58.3 38.4 61.5 -16.3 553 146 B S H 3X S+ 0 0 62 -4,-3.0 4,-1.4 1,-0.2 5,-0.2 0.926 115.4 45.6 -43.8 -60.7 41.3 61.9 -18.8 554 147 B Y H 3X S+ 0 0 54 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.755 111.4 53.4 -59.6 -30.9 39.0 61.2 -21.8 555 148 B T H S+ 0 0 55 -4,-0.8 5,-2.5 -3,-0.4 6,-0.5 0.777 109.9 49.2 -80.1 -35.7 33.3 82.4 -37.7 573 166 B F H ><5S+ 0 0 74 -4,-2.2 3,-1.3 4,-0.2 -2,-0.2 0.806 103.1 63.4 -69.7 -32.0 29.9 83.6 -36.5 574 167 B N H 3<5S+ 0 0 120 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.855 105.2 44.0 -57.1 -39.4 31.5 86.9 -35.8 575 168 B V T 3<5S- 0 0 108 -4,-0.6 -1,-0.3 -3,-0.1 -2,-0.2 0.268 122.5-108.7 -95.4 10.2 32.3 87.4 -39.5 576 169 B G T < 5S+ 0 0 63 -3,-1.3 -3,-0.2 2,-0.1 -2,-0.1 0.669 86.9 116.9 78.2 21.5 28.7 86.2 -40.4 577 170 B L < + 0 0 121 -5,-2.5 2,-0.4 1,-0.1 -4,-0.2 0.675 67.5 58.1 -89.4 -19.1 29.6 82.8 -41.8 578 171 B V S S- 0 0 26 -6,-0.5 2,-0.2 -9,-0.1 -2,-0.1 -0.941 82.2-123.0-122.4 129.4 27.8 80.7 -39.2 579 172 B A >> - 0 0 53 -2,-0.4 3,-1.5 1,-0.1 4,-0.8 -0.482 30.8-116.7 -67.4 137.3 24.1 80.8 -38.3 580 173 B I H >> S+ 0 0 84 1,-0.3 4,-2.6 2,-0.2 3,-0.5 0.777 110.5 67.2 -47.0 -36.2 23.5 81.6 -34.5 581 174 B T H 3> S+ 0 0 7 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.898 95.2 57.1 -52.6 -45.0 21.9 78.1 -34.0 582 175 B D H <> S+ 0 0 36 -3,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.871 110.8 42.6 -53.4 -42.9 25.2 76.4 -34.7 583 176 B V H > S+ 0 0 33 -4,-0.3 4,-2.0 -3,-0.2 3,-0.6 0.936 107.0 43.4 -83.6 -54.3 31.9 66.5 -12.7 599 192 B T H 3X S+ 0 0 64 -4,-1.5 4,-1.6 1,-0.2 -2,-0.2 0.779 110.7 60.0 -62.0 -24.6 30.6 63.0 -12.2 600 193 B A H 3X S+ 0 0 6 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.861 107.0 43.6 -72.1 -36.9 33.8 61.7 -13.6 601 194 B R H X S+ 0 0 87 -4,-2.0 4,-0.8 2,-0.2 3,-0.5 0.928 107.0 50.0 -65.3 -50.3 37.2 52.2 -2.0 611 204 B L H 3X S+ 0 0 4 -4,-1.8 4,-2.4 1,-0.2 3,-0.3 0.816 109.1 54.0 -59.0 -33.9 40.8 51.2 -2.4 612 205 B R H 3X S+ 0 0 44 -4,-1.8 4,-0.9 1,-0.2 -1,-0.2 0.784 100.5 56.7 -76.0 -28.8 41.6 52.5 1.1 613 206 B Q H << S+ 0 0 50 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.662 115.9 38.6 -81.9 -12.0 39.0 50.5 2.9 614 207 B I H < S+ 0 0 25 -4,-0.8 -2,-0.2 -3,-0.3 -169,-0.2 0.869 131.2 26.2 -85.5 -59.4 40.5 47.3 1.5 615 208 B T H < S- 0 0 0 -4,-2.4 -173,-0.2 2,-0.2 -3,-0.2 0.949 93.2-130.7 -74.4 -55.7 44.2 48.3 1.8 616 209 B G S < S+ 0 0 13 -4,-0.9 2,-0.3 1,-0.3 -4,-0.2 0.256 73.4 84.5 118.6 -7.4 44.3 50.8 4.6 617 210 B N S S- 0 0 61 -6,-0.3 -1,-0.3 -182,-0.1 2,-0.3 -0.921 70.9-124.3-130.8 150.6 46.3 53.5 2.8 618 211 B Y - 0 0 93 -2,-0.3 -9,-0.0 -3,-0.1 -10,-0.0 -0.721 23.8-146.9 -89.6 143.3 45.8 56.4 0.4 619 212 B Y - 0 0 7 -2,-0.3 235,-0.3 1,-0.1 -8,-0.0 -0.899 13.2-168.6-121.4 104.9 47.8 56.3 -2.9 620 213 B P S S+ 0 0 93 0, 0.0 234,-1.4 0, 0.0 235,-0.6 0.720 82.0 10.5 -61.3 -26.0 48.9 59.6 -4.4 621 214 B E E -V 853 0D 97 232,-0.3 2,-0.3 233,-0.1 232,-0.3 -0.973 66.6-162.8-147.7 157.0 49.9 57.7 -7.6 622 215 B L E -V 852 0D 0 230,-2.5 230,-2.7 -2,-0.3 2,-0.6 -0.991 33.6-101.8-140.2 149.6 49.4 54.2 -9.1 623 216 B A E -V 851 0D 12 -193,-1.4 227,-0.2 -2,-0.3 -191,-0.1 -0.601 43.5-149.8 -72.2 112.8 51.1 52.3 -11.9 624 217 B A E -V 850 0D 12 226,-3.7 225,-2.2 -2,-0.6 226,-0.6 -0.431 28.9 -83.0 -82.4 158.3 48.7 52.5 -14.9 625 218 B L E -V 848 0D 12 223,-0.2 2,-0.8 224,-0.1 223,-0.3 -0.455 38.7-137.6 -62.2 116.4 48.4 49.9 -17.7 626 219 B N - 0 0 22 221,-2.0 3,-0.4 -2,-0.4 -1,-0.1 -0.716 17.5-167.6 -77.5 110.9 51.1 50.3 -20.3 627 220 B V S > S+ 0 0 75 -2,-0.8 3,-1.0 1,-0.2 -1,-0.2 0.706 71.9 74.1 -77.4 -21.8 49.2 49.8 -23.5 628 221 B E T 3 S+ 0 0 181 1,-0.3 -1,-0.2 0, 0.0 2,-0.1 0.861 106.3 33.3 -63.0 -40.2 52.2 49.5 -25.9 629 222 B N T 3 S+ 0 0 94 -3,-0.4 2,-0.9 218,-0.2 -1,-0.3 -0.420 81.1 153.4-112.8 55.0 53.1 46.0 -24.7 630 223 B F < - 0 0 39 -3,-1.0 2,-0.3 -2,-0.1 -3,-0.1 -0.745 27.7-159.0 -91.5 103.7 49.6 44.6 -24.0 631 224 B K - 0 0 165 -2,-0.9 -2,-0.1 1,-0.1 216,-0.0 -0.612 13.8-179.4 -83.6 141.2 49.6 40.8 -24.4 632 225 B T + 0 0 49 -2,-0.3 -1,-0.1 135,-0.0 2,-0.1 -0.134 13.6 167.5-135.6 38.0 46.2 39.2 -25.0 633 226 B D - 0 0 107 1,-0.1 -2,-0.0 134,-0.0 134,-0.0 -0.318 37.1-111.4 -64.2 131.5 46.9 35.4 -25.2 634 227 B K - 0 0 150 1,-0.1 2,-0.2 -2,-0.1 -1,-0.1 0.221 32.6-103.7 -52.6 178.2 43.8 33.2 -25.1 635 228 B P - 0 0 31 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.486 41.1 -80.2 -97.9 175.7 43.0 30.9 -22.2 636 229 B Q - 0 0 129 -2,-0.2 5,-0.1 1,-0.1 0, 0.0 -0.398 68.6 -79.4 -65.3 151.5 43.2 27.1 -21.9 637 230 B P > - 0 0 82 0, 0.0 4,-1.2 0, 0.0 3,-0.2 -0.005 44.5-100.9 -55.2 162.5 40.3 25.2 -23.5 638 231 B V H > S+ 0 0 32 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.870 119.6 45.0 -50.6 -44.5 36.9 24.9 -21.8 639 232 B N H > S+ 0 0 104 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.836 101.8 62.4 -75.8 -36.1 37.5 21.3 -20.6 640 233 B A H > S+ 0 0 45 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.816 110.8 43.2 -58.5 -32.1 41.1 21.7 -19.3 641 234 B L H X S+ 0 0 10 -4,-1.2 4,-3.2 -3,-0.3 -2,-0.2 0.939 109.4 54.7 -78.3 -52.3 39.7 24.2 -16.8 642 235 B L H < S+ 0 0 21 -4,-1.8 -2,-0.2 2,-0.2 -3,-0.1 0.845 114.8 43.0 -48.0 -36.7 36.6 22.1 -15.9 643 236 B K H >X S+ 0 0 146 -4,-2.4 3,-2.4 1,-0.2 4,-0.5 0.985 114.8 46.8 -71.9 -60.9 38.9 19.3 -15.0 644 237 B E H >X S+ 0 0 61 -4,-1.9 4,-1.2 1,-0.3 3,-0.7 0.778 109.2 57.5 -55.5 -26.9 41.4 21.4 -13.2 645 238 B A H 3< S+ 0 0 0 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.074 99.1 59.8 -93.7 22.4 38.5 23.1 -11.3 646 239 B E H <4 S+ 0 0 69 -3,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.384 114.5 31.6-122.6 -5.0 37.2 19.8 -10.0 647 240 B K H << S+ 0 0 159 -3,-0.7 -2,-0.2 -4,-0.5 -3,-0.1 0.573 131.1 32.2-115.0 -24.6 40.4 18.8 -8.1 648 241 B R S < S+ 0 0 116 -4,-1.2 -3,-0.2 -5,-0.2 -4,-0.1 0.639 85.3 115.5-114.7 -23.6 41.6 22.3 -7.2 649 242 B N > - 0 0 11 -5,-0.2 4,-1.5 1,-0.1 185,-0.1 -0.285 51.1-152.0 -61.4 134.5 38.5 24.4 -6.7 650 243 B L H > S+ 0 0 7 181,-0.4 4,-1.1 2,-0.2 -121,-0.1 0.799 87.9 50.7 -81.5 -35.0 37.9 25.7 -3.1 651 244 B S H > S+ 0 0 59 2,-0.2 4,-1.2 1,-0.1 -1,-0.2 0.781 114.2 45.5 -78.2 -24.7 34.1 26.0 -2.9 652 245 B L H > S+ 0 0 2 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.922 105.8 58.2 -80.7 -48.5 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