==== 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 ELECTRON TRANSPORT 12-DEC-08 2W5U . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR N.CREMADES,I.PEREZ-DORADO,J.A.HERMOSO,M.MARTINEZ-JULVEZ, . 326 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14265.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 238 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 53 16.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 4.9 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 25 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 26.7 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+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 4 1 0 0 3 1 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 0 4 2 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 4 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 . 2 2 0 0 2 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 2 A G 0 0 65 0, 0.0 27,-0.2 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0 131.4 -6.0 7.8 41.7 2 3 A K + 0 0 68 25,-0.6 44,-0.5 1,-0.1 2,-0.5 0.919 360.0 66.2 -68.0 -44.6 -7.4 4.6 40.3 3 4 A I E S-ab 28 46A 3 24,-2.5 26,-2.1 23,-0.2 2,-0.5 -0.694 72.2-154.9 -86.5 120.7 -4.2 4.0 38.1 4 5 A G E -ab 29 47A 0 42,-2.1 44,-3.1 -2,-0.5 2,-0.5 -0.827 5.3-165.9 -93.9 131.7 -0.9 3.3 39.9 5 6 A I E -ab 30 48A 0 24,-2.4 26,-2.6 -2,-0.5 2,-0.4 -0.900 7.0-172.5-120.4 101.8 2.3 4.2 38.1 6 7 A F E +ab 31 49A 0 42,-1.2 44,-2.6 -2,-0.5 2,-0.3 -0.785 10.6 167.1 -97.7 133.5 5.4 2.6 39.7 7 8 A F E -ab 32 50A 12 24,-2.2 26,-3.1 -2,-0.4 27,-0.5 -0.979 23.7-156.9-141.3 153.1 8.9 3.6 38.4 8 9 A G - 0 0 0 42,-0.6 2,-0.3 -2,-0.3 6,-0.1 -0.962 24.5-179.1-126.0 147.4 12.5 3.2 39.5 9 10 A T - 0 0 26 -2,-0.4 53,-0.1 5,-0.1 -2,-0.0 -0.997 34.9-173.4-152.0 151.1 15.2 5.6 38.2 10 11 A D S S+ 0 0 113 -2,-0.3 -1,-0.1 51,-0.0 0, 0.0 0.537 100.9 15.9-116.1 -18.3 18.8 6.5 38.3 11 12 A S S S- 0 0 104 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.304 108.2-104.0-137.0 0.6 18.7 9.8 36.4 12 13 A G S > S+ 0 0 15 3,-0.0 4,-2.1 4,-0.0 5,-0.2 0.592 85.8 120.2 85.2 9.2 15.0 10.6 36.5 13 14 A N H > S+ 0 0 60 2,-0.2 4,-2.8 3,-0.2 5,-0.2 0.981 82.6 42.6 -61.8 -55.1 14.2 9.7 32.9 14 15 A A H > S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.911 114.3 51.7 -57.2 -47.4 11.7 7.1 34.1 15 16 A E H > S+ 0 0 100 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.886 111.0 46.5 -58.1 -45.2 10.3 9.5 36.8 16 17 A A H X S+ 0 0 48 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.939 114.5 49.6 -61.5 -46.3 9.8 12.3 34.2 17 18 A I H X S+ 0 0 2 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.905 110.7 48.0 -57.5 -46.7 8.1 9.7 31.9 18 19 A A H X S+ 0 0 0 -4,-3.2 4,-1.3 2,-0.2 -1,-0.2 0.869 111.7 51.4 -65.1 -37.8 5.8 8.4 34.7 19 20 A E H X S+ 0 0 83 -4,-2.1 4,-2.6 -5,-0.2 3,-0.3 0.952 112.7 45.0 -60.4 -53.6 4.9 11.9 35.6 20 21 A K H X S+ 0 0 70 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.922 110.9 53.0 -52.8 -51.3 4.1 12.7 31.9 21 22 A I H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.3 5,-0.3 0.772 111.7 47.2 -63.6 -25.1 2.2 9.4 31.6 22 23 A S H X S+ 0 0 15 -4,-1.3 4,-1.8 -3,-0.3 -1,-0.3 0.872 107.6 55.3 -80.3 -39.2 0.2 10.5 34.6 23 24 A K H < S+ 0 0 156 -4,-2.6 -2,-0.2 2,-0.1 -3,-0.2 0.930 118.3 35.5 -53.1 -47.1 -0.3 14.0 33.2 24 25 A A H < S+ 0 0 55 -4,-2.6 -2,-0.2 1,-0.1 -3,-0.2 0.949 122.9 37.4 -78.7 -55.7 -1.9 12.4 30.1 25 26 A I H < S- 0 0 27 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.1 0.842 96.8-166.3 -66.4 -35.6 -3.8 9.3 31.3 26 27 A G < + 0 0 24 -4,-1.8 -23,-0.2 -5,-0.3 3,-0.1 0.261 55.6 74.3 68.3 167.1 -5.0 11.1 34.4 27 28 A N S S+ 0 0 95 1,-0.2 -24,-2.5 -25,-0.1 -25,-0.6 0.905 80.0 129.7 60.9 44.3 -6.5 9.7 37.6 28 29 A A E -a 3 0A 27 -27,-0.2 2,-0.4 -26,-0.2 -1,-0.2 -0.865 53.8-145.0-133.3 159.6 -3.2 8.3 38.7 29 30 A E E -a 4 0A 85 -26,-2.1 -24,-2.4 -2,-0.3 2,-0.5 -0.994 20.5-142.2-128.1 121.5 -0.7 8.2 41.6 30 31 A V E -a 5 0A 49 -2,-0.4 2,-0.4 -26,-0.2 -24,-0.2 -0.744 22.0-177.2 -90.8 124.6 3.0 8.1 40.9 31 32 A V E -a 6 0A 12 -26,-2.6 -24,-2.2 -2,-0.5 2,-0.5 -0.976 27.9-133.1-126.2 131.3 5.2 5.9 43.1 32 33 A D E > -a 7 0A 32 -2,-0.4 3,-1.5 -26,-0.2 -24,-0.2 -0.672 17.2-146.3 -69.3 124.1 9.0 5.4 43.3 33 34 A V G > S+ 0 0 1 -26,-3.1 3,-0.9 -2,-0.5 -25,-0.2 0.697 96.4 69.6 -64.2 -18.2 9.3 1.6 43.4 34 35 A A G 3 S+ 0 0 17 -27,-0.5 -1,-0.2 1,-0.2 252,-0.2 0.630 105.6 36.3 -76.0 -16.5 12.3 2.3 45.6 35 36 A K G < S+ 0 0 91 -3,-1.5 -1,-0.2 250,-0.2 2,-0.2 -0.030 109.8 78.4-124.9 29.2 10.1 3.6 48.5 36 37 A A < - 0 0 4 -3,-0.9 2,-0.3 250,-0.2 -3,-0.1 -0.664 56.5-145.1-132.1 178.7 7.2 1.2 48.1 37 38 A S >> - 0 0 8 -2,-0.2 4,-2.2 216,-0.1 3,-1.1 -0.953 37.8-102.8-144.8 160.7 5.9 -2.3 48.9 38 39 A K H 3> S+ 0 0 74 -2,-0.3 4,-2.6 1,-0.3 5,-0.1 0.805 120.9 66.2 -52.0 -28.9 3.7 -5.0 47.4 39 40 A E H 34 S+ 0 0 90 1,-0.2 -1,-0.3 2,-0.2 215,-0.0 0.904 107.4 37.9 -62.6 -39.6 1.2 -3.8 50.0 40 41 A Q H X4 S+ 0 0 52 -3,-1.1 3,-0.8 2,-0.2 -2,-0.2 0.789 112.4 58.4 -79.2 -32.2 1.1 -0.5 48.1 41 42 A F H >< S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.898 106.1 49.5 -60.4 -43.6 1.3 -2.3 44.7 42 43 A N T 3< S+ 0 0 59 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.385 86.0 85.2 -82.1 2.0 -1.9 -4.3 45.5 43 44 A S T < S+ 0 0 62 -3,-0.8 2,-0.3 -5,-0.1 -1,-0.3 0.483 92.4 61.3 -72.8 -3.0 -3.8 -1.2 46.5 44 45 A F < - 0 0 20 -3,-1.0 3,-0.1 1,-0.1 -41,-0.1 -0.905 53.1-172.8-128.6 150.7 -4.5 -1.0 42.8 45 46 A T S S+ 0 0 74 -43,-0.4 34,-2.3 -2,-0.3 2,-0.6 0.734 86.1 54.4-103.0 -43.2 -6.2 -3.0 40.1 46 47 A K E S+bc 3 79A 40 -44,-0.5 -42,-2.1 32,-0.2 2,-0.3 -0.839 76.4 173.4 -97.6 116.5 -5.1 -0.9 37.2 47 48 A V E -bc 4 80A 0 32,-3.9 34,-1.0 -2,-0.6 2,-0.4 -0.947 26.6-163.7-131.1 148.4 -1.3 -0.4 37.0 48 49 A I E -bc 5 81A 0 -44,-3.1 -42,-1.2 -2,-0.3 2,-0.7 -0.989 14.5-158.8-127.4 118.7 1.3 1.1 34.7 49 50 A L E -bc 6 82A 0 32,-4.3 34,-2.5 -2,-0.4 2,-0.5 -0.864 6.2-170.8-105.6 111.4 4.9 0.0 35.3 50 51 A V E +bc 7 83A 0 -44,-2.6 -42,-0.6 -2,-0.7 34,-0.2 -0.872 16.6 168.5-102.9 134.1 7.6 2.3 33.9 51 52 A A E - c 0 84A 0 32,-1.7 34,-1.0 -2,-0.5 48,-0.3 -0.948 27.9-139.4-156.4 127.1 11.1 0.9 34.1 52 53 A P - 0 0 21 0, 0.0 8,-1.5 0, 0.0 2,-0.4 -0.372 29.9-113.6 -79.4 160.9 14.6 1.7 32.8 53 54 A T E -F 59 0B 41 6,-0.2 6,-0.2 32,-0.1 2,-0.1 -0.809 32.6-175.9-100.0 136.5 17.0 -1.0 31.6 54 55 A A E >> -F 58 0B 41 4,-3.9 3,-1.0 -2,-0.4 4,-0.6 -0.434 45.2 -24.6-111.6-169.1 20.3 -1.9 33.4 55 56 A G G >4 S+ 0 0 61 1,-0.2 3,-2.1 2,-0.2 -1,-0.3 0.021 128.5 6.5 -36.7 135.2 23.4 -4.2 32.8 56 57 A A G 34 S- 0 0 86 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 0.812 132.3 -63.2 54.8 36.0 22.7 -7.2 30.5 57 58 A G G <4 S+ 0 0 0 -3,-1.0 -1,-0.3 37,-0.2 44,-0.2 0.655 103.3 141.1 64.3 14.3 19.1 -6.0 29.8 58 59 A D E << -F 54 0B 65 -3,-2.1 -4,-3.9 -4,-0.6 40,-0.4 -0.116 55.2 -82.0 -78.1-177.4 18.3 -6.3 33.4 59 60 A L E -F 53 0B 5 -6,-0.2 -6,-0.2 39,-0.2 -1,-0.1 -0.571 46.8 -92.9 -89.2 146.4 16.2 -4.0 35.6 60 61 A Q >> - 0 0 2 -8,-1.5 4,-2.0 -2,-0.2 3,-1.2 -0.372 51.9-105.0 -50.0 130.3 17.3 -0.7 37.3 61 62 A T H 3> S+ 0 0 82 1,-0.3 4,-2.0 2,-0.2 3,-0.3 0.782 118.0 49.4 -29.7 -60.5 18.4 -1.8 40.8 62 63 A D H 3> S+ 0 0 40 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.870 111.8 47.2 -54.7 -43.6 15.3 -0.5 42.6 63 64 A W H <> S+ 0 0 0 -3,-1.2 4,-2.5 1,-0.2 -1,-0.3 0.827 110.3 57.1 -64.5 -31.1 12.8 -2.1 40.2 64 65 A E H X S+ 0 0 74 -4,-2.0 4,-0.8 -3,-0.3 -2,-0.2 0.883 108.5 43.3 -68.8 -40.7 14.9 -5.2 40.7 65 66 A D H X S+ 0 0 90 -4,-2.0 4,-0.7 -5,-0.2 -2,-0.2 0.928 115.1 51.1 -69.2 -43.7 14.5 -5.2 44.4 66 67 A F H >< S+ 0 0 8 -4,-2.3 3,-2.9 1,-0.2 4,-0.4 0.971 108.5 47.6 -57.0 -65.1 10.7 -4.4 44.1 67 68 A L H >< S+ 0 0 7 -4,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.744 101.3 69.4 -50.4 -26.9 9.8 -7.2 41.6 68 69 A G H 3< S+ 0 0 46 -4,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.841 98.1 50.3 -60.8 -32.4 11.7 -9.5 43.9 69 70 A T T << S+ 0 0 72 -3,-2.9 2,-0.3 -4,-0.7 -1,-0.3 0.464 105.5 69.4 -85.7 -4.8 9.0 -9.1 46.4 70 71 A L < - 0 0 0 -3,-1.3 2,-0.3 -4,-0.4 3,-0.0 -0.818 60.3-168.3-113.4 157.2 6.2 -9.8 43.9 71 72 A E >> - 0 0 99 -2,-0.3 3,-1.0 1,-0.1 4,-0.8 -0.803 47.3 -89.0-132.9 173.5 5.3 -13.0 42.2 72 73 A A H >> S+ 0 0 46 -2,-0.3 3,-1.7 1,-0.3 4,-0.7 0.901 124.0 67.6 -50.7 -40.6 3.0 -13.9 39.3 73 74 A S H >> S+ 0 0 97 1,-0.3 3,-1.3 2,-0.2 4,-0.5 0.864 96.8 52.4 -41.1 -51.5 0.2 -14.2 42.0 74 75 A D H <4 S+ 0 0 17 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.700 109.8 47.5 -65.5 -24.4 0.4 -10.5 42.6 75 76 A F H X< S+ 0 0 0 -3,-1.7 3,-1.1 -4,-0.8 -1,-0.3 0.475 89.9 88.3 -92.9 -3.5 -0.1 -9.6 38.9 76 77 A A H << S+ 0 0 55 -3,-1.3 34,-0.2 -4,-0.7 -2,-0.1 0.939 89.2 40.6 -64.0 -53.7 -3.0 -11.9 38.4 77 78 A N T 3< S+ 0 0 108 -4,-0.5 2,-0.3 32,-0.1 -1,-0.2 0.142 105.0 94.3 -79.9 20.1 -6.0 -9.7 39.4 78 79 A K < - 0 0 8 -3,-1.1 32,-2.0 28,-0.1 2,-0.7 -0.850 69.9-133.9-126.0 147.6 -4.5 -6.6 37.6 79 80 A T E -cd 46 110A 22 -34,-2.3 -32,-3.9 -2,-0.3 2,-0.4 -0.895 40.0-161.4 -90.4 116.3 -4.5 -4.7 34.4 80 81 A I E -cd 47 111A 0 30,-2.9 32,-2.1 -2,-0.7 2,-0.4 -0.820 15.6-166.0-108.8 143.1 -0.8 -4.0 33.7 81 82 A G E -cd 48 112A 0 -34,-1.0 -32,-4.3 -2,-0.4 2,-0.5 -0.993 10.0-153.0-126.3 128.8 0.9 -1.5 31.5 82 83 A L E +c 49 0A 0 30,-0.7 54,-2.2 -2,-0.4 2,-0.3 -0.906 18.5 169.2-110.8 129.2 4.5 -1.7 30.6 83 84 A V E -ce 50 136A 0 -34,-2.5 -32,-1.7 -2,-0.5 2,-0.5 -0.770 12.6-173.9-139.3 90.5 6.6 1.3 29.7 84 85 A G E -ce 51 137A 0 52,-1.8 54,-2.3 -2,-0.3 2,-0.1 -0.743 13.3-147.2 -98.3 128.1 10.4 0.7 29.4 85 86 A L E + e 0 138A 8 -34,-1.0 2,-0.3 -2,-0.5 14,-0.2 -0.357 33.4 147.6 -74.1 163.4 13.1 3.3 28.9 86 87 A G - 0 0 10 52,-0.9 55,-0.5 -34,-0.1 2,-0.5 -0.954 47.6-110.3 175.6 170.7 16.2 2.4 26.9 87 88 A D > - 0 0 19 -2,-0.3 4,-1.1 7,-0.2 7,-0.2 -0.904 20.2-178.9-121.1 101.6 19.1 3.2 24.6 88 89 A Q T 4 S+ 0 0 3 -2,-0.5 35,-0.2 1,-0.2 -1,-0.1 0.724 82.8 50.9 -70.4 -20.6 18.9 1.5 21.2 89 90 A D T 4 S+ 0 0 100 1,-0.1 3,-0.3 2,-0.1 -1,-0.2 0.853 114.3 35.9 -87.6 -41.0 22.3 3.0 20.1 90 91 A T T 4 S+ 0 0 97 1,-0.2 -2,-0.2 2,-0.1 2,-0.1 0.587 127.7 37.7 -89.7 -12.6 24.7 2.1 22.9 91 92 A Y < + 0 0 134 -4,-1.1 3,-0.4 1,-0.1 -1,-0.2 -0.573 62.6 158.9-140.6 74.4 23.0 -1.3 23.5 92 93 A S S S+ 0 0 54 -3,-0.3 32,-2.2 1,-0.2 3,-0.2 0.960 77.4 48.9 -57.6 -55.7 21.9 -2.9 20.2 93 94 A E S S+ 0 0 123 30,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.635 121.6 34.0 -64.6 -17.9 21.8 -6.5 21.5 94 95 A T S S+ 0 0 39 -3,-0.4 2,-0.5 -7,-0.2 -1,-0.2 -0.839 73.5 171.1-143.0 94.8 19.7 -5.5 24.6 95 96 A F S S- 0 0 0 29,-0.9 32,-0.4 -2,-0.3 -9,-0.1 -0.944 71.0 -25.9-121.9 119.7 17.2 -2.7 24.1 96 97 A A S S+ 0 0 1 -2,-0.5 3,-0.5 1,-0.1 4,-0.3 0.828 87.3 144.9 50.4 37.7 14.6 -1.7 26.7 97 98 A E >> + 0 0 7 1,-0.2 3,-3.5 2,-0.2 4,-0.7 0.832 43.4 86.4 -69.9 -35.7 14.8 -5.3 28.0 98 99 A G H >> S+ 0 0 0 -40,-0.4 4,-1.2 1,-0.3 3,-1.1 0.818 86.3 57.8 -35.7 -43.6 14.3 -4.4 31.6 99 100 A I H 3> S+ 0 0 2 -3,-0.5 4,-2.7 -48,-0.3 -1,-0.3 0.821 91.3 68.0 -60.1 -32.8 10.6 -4.5 31.0 100 101 A F H <> S+ 0 0 35 -3,-3.5 4,-1.8 -4,-0.3 -1,-0.3 0.841 98.7 53.2 -58.7 -33.1 10.7 -8.1 29.7 101 102 A H H XX S+ 0 0 35 -3,-1.1 4,-0.9 -4,-0.7 3,-0.7 0.985 110.1 44.4 -63.7 -60.0 11.6 -9.2 33.3 102 103 A I H >X S+ 0 0 0 -4,-1.2 4,-2.4 1,-0.3 3,-0.9 0.891 112.2 58.4 -48.7 -36.5 8.6 -7.5 34.8 103 104 A Y H 3X S+ 0 0 45 -4,-2.7 4,-2.5 1,-0.2 -1,-0.3 0.897 90.1 67.7 -61.7 -42.2 6.8 -9.0 31.9 104 105 A E H << S+ 0 0 94 -4,-1.8 -1,-0.2 -3,-0.7 -2,-0.2 0.797 115.3 29.0 -49.3 -32.8 7.8 -12.6 32.9 105 106 A K H X< S+ 0 0 49 -3,-0.9 3,-1.4 -4,-0.9 -1,-0.2 0.820 114.8 58.6 -95.7 -41.2 5.5 -12.2 35.9 106 107 A A H >< S+ 0 0 0 -4,-2.4 3,-3.0 1,-0.3 -2,-0.2 0.724 81.8 82.6 -69.8 -23.1 2.9 -9.7 34.6 107 108 A K T 3< S+ 0 0 128 -4,-2.5 -1,-0.3 1,-0.3 4,-0.1 0.596 78.5 76.0 -52.3 -9.7 1.8 -12.0 31.7 108 109 A A T < S+ 0 0 45 -3,-1.4 -1,-0.3 -5,-0.2 2,-0.2 0.488 102.1 36.3 -80.9 -9.6 -0.3 -13.5 34.6 109 110 A G S < S- 0 0 21 -3,-3.0 2,-0.7 -32,-0.1 -30,-0.2 -0.442 113.7 -63.3-119.0-158.3 -2.7 -10.6 34.4 110 111 A K E -d 79 0A 122 -32,-2.0 -30,-2.9 -35,-0.2 2,-0.6 -0.853 51.2-171.3 -96.4 108.7 -4.1 -8.5 31.5 111 112 A V E +d 80 0A 20 -2,-0.7 2,-0.3 -32,-0.2 -30,-0.2 -0.907 9.3 173.5-105.1 120.8 -1.2 -6.6 29.9 112 113 A V E +d 81 0A 19 -32,-2.1 -30,-0.7 -2,-0.6 46,-0.1 -0.805 44.7 70.2-121.2 163.3 -2.2 -4.0 27.3 113 114 A G + 0 0 2 -2,-0.3 -1,-0.1 1,-0.2 45,-0.1 0.578 51.3 166.6 105.3 11.7 -0.1 -1.5 25.5 114 115 A Q - 0 0 81 -3,-0.2 2,-0.3 21,-0.1 -1,-0.2 -0.373 20.2-167.3 -55.3 134.1 1.9 -3.7 23.1 115 116 A T B -G 133 0C 18 18,-0.9 18,-1.9 20,-0.6 20,-0.2 -0.917 18.5 -95.2-132.5 158.7 3.5 -1.4 20.5 116 117 A S - 0 0 56 -2,-0.3 16,-0.1 16,-0.2 -1,-0.1 -0.138 15.9-137.3 -71.5 163.6 5.2 -1.6 17.2 117 118 A T > + 0 0 38 14,-0.3 3,-2.0 2,-0.0 -1,-0.1 0.493 60.6 128.4 -97.6 -7.7 9.0 -1.7 16.5 118 119 A D T 3 S+ 0 0 138 1,-0.3 3,-0.1 3,-0.0 -2,-0.0 -0.189 74.4 17.7 -52.2 136.0 8.8 0.7 13.6 119 120 A G T 3 S+ 0 0 43 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.490 101.5 105.9 78.8 1.9 11.2 3.6 13.9 120 121 A Y < - 0 0 21 -3,-2.0 2,-0.5 2,-0.1 -1,-0.3 -0.900 56.1-154.6-111.7 145.6 13.3 1.9 16.5 121 122 A H + 0 0 132 -2,-0.4 2,-0.3 -3,-0.1 -3,-0.0 -0.883 33.2 129.2-131.8 102.9 16.7 0.5 15.5 122 123 A F - 0 0 49 -2,-0.5 -29,-0.1 1,-0.1 -30,-0.1 -0.982 52.2-135.0-151.2 154.7 18.3 -2.3 17.4 123 124 A E S S- 0 0 65 -2,-0.3 2,-0.3 1,-0.2 -30,-0.2 0.892 85.3 -2.9 -79.0 -42.8 20.0 -5.7 16.9 124 125 A A + 0 0 35 -32,-2.2 -29,-0.9 -33,-0.1 -1,-0.2 -0.988 53.8 170.2-152.8 160.2 18.1 -7.6 19.7 125 126 A S > - 0 0 17 -2,-0.3 3,-1.7 -31,-0.2 -31,-0.1 -0.705 30.2-151.2-176.2 120.9 15.7 -7.3 22.6 126 127 A K T 3 S+ 0 0 110 1,-0.3 -30,-0.1 -2,-0.2 -32,-0.1 0.562 99.0 73.8 -65.0 -10.8 13.8 -9.7 24.9 127 128 A A T 3 S+ 0 0 0 -32,-0.4 7,-1.5 6,-0.1 2,-0.3 0.749 75.7 87.3 -77.4 -26.9 11.2 -6.9 25.0 128 129 A V E < +H 133 0C 45 -3,-1.7 2,-0.3 5,-0.2 5,-0.2 -0.601 61.8 172.9 -71.1 134.3 10.1 -7.8 21.5 129 130 A E E > -H 132 0C 95 3,-2.9 3,-2.2 -2,-0.3 -2,-0.0 -0.984 58.4 -4.2-151.2 133.3 7.5 -10.5 21.8 130 131 A G T 3 S- 0 0 74 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.804 135.0 -48.8 50.8 31.1 5.2 -12.1 19.3 131 132 A G T 3 S+ 0 0 68 1,-0.2 2,-0.3 -15,-0.0 -1,-0.3 0.330 127.2 57.2 95.0 -8.0 6.6 -9.7 16.7 132 133 A K E < S- H 0 129C 113 -3,-2.2 -3,-2.9 -16,-0.1 -16,-0.2 -0.969 92.2 -69.6-149.2 168.3 6.2 -6.5 18.7 133 134 A F E -GH 115 128C 0 -18,-1.9 -18,-0.9 -2,-0.3 -5,-0.2 -0.209 35.5-130.7 -58.5 144.5 7.2 -4.7 21.9 134 135 A V S S- 0 0 6 -7,-1.5 -52,-0.3 -20,-0.2 2,-0.2 0.678 84.9 -24.7 -70.6 -18.7 5.6 -5.9 25.1 135 136 A G S S- 0 0 1 -20,-0.2 -20,-0.6 -8,-0.1 -52,-0.2 -0.835 102.0 -32.5-163.3-158.0 4.7 -2.3 25.9 136 137 A L E -e 83 0A 7 -54,-2.2 -52,-1.8 -2,-0.2 2,-0.5 -0.469 54.2-151.4 -72.5 146.9 5.6 1.3 25.1 137 138 A V E -e 84 0A 1 -54,-0.2 2,-0.4 -2,-0.1 -52,-0.2 -0.979 8.2-164.2-127.3 120.6 9.3 1.8 24.6 138 139 A I E -e 85 0A 0 -54,-2.3 -52,-0.9 -2,-0.5 2,-0.4 -0.813 9.1-173.0-102.5 138.2 11.0 5.1 25.4 139 140 A D > + 0 0 0 -2,-0.4 4,-1.7 4,-0.3 7,-0.2 -0.761 13.8 164.5-130.0 93.0 14.4 6.2 24.2 140 141 A E H > S+ 0 0 33 -2,-0.4 4,-0.6 2,-0.2 -1,-0.1 0.728 72.5 63.6 -74.4 -27.6 15.4 9.4 25.9 141 142 A D H 4 S+ 0 0 103 -55,-0.5 -1,-0.2 2,-0.1 -54,-0.1 0.966 127.1 2.3 -62.9 -54.1 19.1 9.0 24.9 142 143 A N H 4 S+ 0 0 53 1,-0.1 -2,-0.2 2,-0.1 3,-0.2 0.651 140.0 38.6-109.4 -24.1 18.6 9.2 21.1 143 144 A Q H >< + 0 0 25 -4,-1.7 3,-2.0 1,-0.1 4,-0.3 -0.127 65.2 134.9-124.9 37.0 14.9 9.8 20.6 144 145 A D G >< S+ 0 0 86 -4,-0.6 3,-1.7 1,-0.3 4,-0.4 0.859 70.5 61.5 -50.9 -42.3 14.0 12.2 23.4 145 146 A D G 3 S+ 0 0 135 1,-0.3 -1,-0.3 -3,-0.2 4,-0.2 0.565 100.1 55.0 -67.8 -7.8 12.1 14.4 20.9 146 147 A L G <> S+ 0 0 45 -3,-2.0 4,-2.0 -7,-0.2 -1,-0.3 0.432 83.0 91.3 -98.2 -3.7 9.7 11.4 20.2 147 148 A T H <> S+ 0 0 0 -3,-1.7 4,-2.7 -4,-0.3 5,-0.2 0.928 82.5 49.8 -60.7 -52.0 8.7 10.9 23.8 148 149 A D H > S+ 0 0 101 -4,-0.4 4,-3.1 1,-0.2 -1,-0.2 0.879 113.5 44.5 -55.9 -44.7 5.7 13.2 24.0 149 150 A E H > S+ 0 0 93 -4,-0.2 4,-3.3 2,-0.2 5,-0.2 0.911 112.1 51.4 -72.0 -41.0 4.0 11.8 20.9 150 151 A R H X S+ 0 0 24 -4,-2.0 4,-3.3 2,-0.2 5,-0.2 0.936 114.0 46.3 -57.5 -46.3 4.6 8.2 21.8 151 152 A I H X S+ 0 0 6 -4,-2.7 4,-2.7 -5,-0.2 5,-0.3 0.973 112.7 48.2 -59.7 -54.7 3.1 8.9 25.2 152 153 A S H X S+ 0 0 63 -4,-3.1 4,-1.3 1,-0.2 -2,-0.2 0.919 116.9 44.0 -53.1 -43.2 0.1 10.8 23.7 153 154 A K H X S+ 0 0 123 -4,-3.3 4,-2.5 2,-0.2 -2,-0.2 0.944 113.9 48.6 -67.4 -48.4 -0.4 7.9 21.3 154 155 A W H X S+ 0 0 5 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.901 108.8 52.2 -59.2 -44.1 0.1 5.1 23.8 155 156 A V H X S+ 0 0 17 -4,-2.7 4,-3.8 -5,-0.2 -1,-0.2 0.866 109.5 53.0 -61.7 -34.2 -2.3 6.7 26.4 156 157 A E H X S+ 0 0 138 -4,-1.3 4,-0.6 -5,-0.3 -2,-0.2 0.983 110.6 44.3 -60.1 -58.4 -4.8 6.8 23.5 157 158 A Q H < S+ 0 0 98 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.787 121.1 43.3 -56.4 -29.9 -4.4 3.1 22.8 158 159 A V H >X S+ 0 0 0 -4,-2.2 3,-1.2 -5,-0.2 4,-1.0 0.928 82.7 92.0 -84.2 -51.6 -4.6 2.5 26.5 159 160 A R H 3< S+ 0 0 167 -4,-3.8 -1,-0.1 1,-0.3 -2,-0.1 0.626 87.0 57.0 -12.1 -57.6 -7.5 4.8 27.6 160 161 A G T 3< S+ 0 0 47 -4,-0.6 -1,-0.3 1,-0.2 3,-0.2 0.923 110.9 36.9 -45.9 -67.6 -9.8 1.8 27.1 161 162 A S T <4 S+ 0 0 26 -3,-1.2 2,-1.4 -4,-0.3 -1,-0.2 0.896 115.8 54.2 -56.7 -48.6 -8.2 -0.7 29.4 162 163 A F < 0 0 8 -4,-1.0 -1,-0.2 -7,-0.1 -159,-0.1 -0.625 360.0 360.0 -89.9 78.4 -7.2 1.9 32.1 163 164 A A 0 0 87 -2,-1.4 -3,-0.1 -3,-0.2 -117,-0.0 -0.927 360.0 360.0-131.8 360.0 -10.7 3.4 32.7 164 !* 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 0.0 165 2 B G 0 0 50 0, 0.0 27,-0.1 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0 -58.2 25.3 -5.6 83.9 166 3 B K + 0 0 119 25,-0.3 2,-0.7 1,-0.2 44,-0.6 0.840 360.0 56.6 -65.9 -36.0 27.3 -2.7 82.4 167 4 B I E S-ij 192 210D 5 24,-2.0 26,-2.2 23,-0.1 2,-0.5 -0.870 72.3-158.4-109.4 110.7 24.9 -2.3 79.4 168 5 B G E -ij 193 211D 0 42,-1.7 44,-2.2 -2,-0.7 2,-0.7 -0.750 2.7-161.1 -88.3 123.6 21.2 -1.6 80.2 169 6 B I E -ij 194 212D 0 24,-2.1 26,-2.7 -2,-0.5 2,-0.5 -0.894 7.1-167.5-108.3 106.5 18.7 -2.5 77.4 170 7 B F E +ij 195 213D 0 42,-1.6 44,-3.5 -2,-0.7 2,-0.3 -0.819 12.6 170.5 -98.1 127.5 15.3 -0.8 77.8 171 8 B F E -ij 196 214D 14 24,-1.8 26,-2.5 -2,-0.5 2,-0.4 -0.908 21.5-156.4-129.7 159.7 12.4 -1.9 75.7 172 9 B G - 0 0 0 42,-0.6 2,-0.3 -2,-0.3 6,-0.1 -0.988 23.4-173.8-134.2 141.3 8.7 -1.3 75.5 173 10 B T + 0 0 29 -2,-0.4 53,-0.2 1,-0.1 -2,-0.0 -0.956 36.2 169.2-143.9 157.4 6.4 -3.8 73.9 174 11 B D S S+ 0 0 117 -2,-0.3 -1,-0.1 51,-0.1 0, 0.0 0.579 98.5 19.4-125.9 -44.7 2.8 -4.6 72.8 175 12 B S S S- 0 0 114 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.325 107.1-107.0-113.7 1.5 3.3 -7.8 70.7 176 13 B G S > S+ 0 0 16 3,-0.0 4,-2.4 4,-0.0 5,-0.2 0.390 87.6 115.5 89.2 -4.5 6.7 -8.9 72.0 177 14 B N H > S+ 0 0 60 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.971 81.8 44.7 -59.2 -54.6 8.7 -8.0 68.9 178 15 B A H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.829 112.7 53.5 -58.6 -34.6 10.7 -5.4 70.8 179 16 B E H > S+ 0 0 103 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.935 110.4 46.1 -63.4 -48.1 11.1 -7.8 73.7 180 17 B A H X S+ 0 0 46 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.937 114.4 48.0 -60.0 -51.7 12.5 -10.5 71.3 181 18 B I H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.889 109.1 53.2 -52.5 -46.6 14.9 -8.0 69.7 182 19 B A H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.895 110.5 47.4 -62.2 -39.1 16.1 -6.7 73.0 183 20 B E H X S+ 0 0 91 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.898 110.0 53.6 -67.0 -42.6 17.0 -10.2 74.1 184 21 B K H X S+ 0 0 47 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.896 109.5 47.3 -56.9 -45.6 18.7 -10.9 70.8 185 22 B I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.4 0.928 110.8 52.6 -66.4 -42.1 20.9 -7.8 71.3 186 23 B S H X S+ 0 0 19 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.941 111.8 44.8 -54.6 -51.8 21.6 -8.9 74.9 187 24 B K H < S+ 0 0 146 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.764 117.7 46.9 -61.3 -30.1 22.8 -12.3 73.7 188 25 B A H < S+ 0 0 51 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.774 121.3 31.3 -88.5 -31.7 24.8 -10.7 70.9 189 26 B I H < S- 0 0 33 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.694 96.3-156.8 -99.7 -23.5 26.6 -7.9 72.8 190 27 B G < + 0 0 29 -4,-2.4 -23,-0.1 -5,-0.4 -2,-0.1 -0.017 64.9 66.7 71.9 177.0 26.9 -9.7 76.1 191 28 B N S S+ 0 0 98 1,-0.2 -24,-2.0 -25,-0.1 2,-0.4 0.813 79.6 132.9 42.0 42.9 27.3 -8.1 79.6 192 29 B A E -i 167 0D 19 -6,-0.2 2,-0.6 -26,-0.2 -24,-0.2 -0.955 50.7-147.8-128.5 143.5 23.8 -6.6 79.3 193 30 B E E -i 168 0D 94 -26,-2.2 -24,-2.1 -2,-0.4 2,-0.5 -0.934 18.8-143.6-108.8 115.8 20.8 -6.4 81.6 194 31 B V E +i 169 0D 49 -2,-0.6 2,-0.4 -26,-0.2 -24,-0.2 -0.662 23.5 178.0 -84.4 125.0 17.4 -6.5 79.8 195 32 B V E -i 170 0D 13 -26,-2.7 -24,-1.8 -2,-0.5 2,-0.7 -0.983 28.1-134.6-126.7 140.2 14.7 -4.2 81.4 196 33 B D E > -i 171 0D 28 -2,-0.4 3,-2.8 -26,-0.2 -24,-0.2 -0.828 15.0-144.4 -90.9 113.3 11.1 -3.6 80.4 197 34 B V T 3 S+ 0 0 6 -26,-2.5 3,-0.5 -2,-0.7 -25,-0.1 0.546 94.9 73.3 -53.4 -9.1 10.5 0.2 80.6 198 35 B A T 3 S+ 0 0 51 -27,-0.3 -1,-0.3 1,-0.2 -26,-0.1 0.647 108.6 30.1 -80.7 -19.7 6.9 -0.6 81.8 199 36 B K S < S+ 0 0 170 -3,-2.8 -1,-0.2 2,-0.0 -2,-0.2 0.001 110.7 92.3-125.7 22.5 8.3 -1.7 85.2 200 37 B A - 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