==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 08-OCT-09 2WUS . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR F.VAN DEN ENT,C.M.JOHNSON,L.PERSONS,P.DEBOER,J.LOWE . 837 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39149.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 626 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 100 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 63 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 299 35.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.1 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 3 1 0 2 5 5 2 3 1 0 5 2 2 0 0 0 0 0 0 1 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 3 3 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 PARALLEL BRIDGES PER LADDER . 2 4 4 1 1 4 3 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 4 0 2 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 L 0 0 107 0, 0.0 95,-0.2 0, 0.0 121,-0.0 0.000 360.0 360.0 360.0-113.7 30.4 11.0 62.5 2 3 A R + 0 0 170 92,-0.2 2,-0.3 93,-0.1 92,-0.0 0.961 360.0 31.5 -67.0 -61.1 34.1 11.7 63.3 3 4 A K S S- 0 0 56 90,-0.1 93,-2.1 15,-0.0 2,-0.4 -0.681 70.7-142.4 -99.6 157.2 35.7 13.0 60.2 4 5 A D E -a 96 0A 17 15,-0.3 15,-2.0 -2,-0.3 2,-0.4 -0.949 21.1-176.6-117.8 130.3 34.0 15.1 57.5 5 6 A I E -aB 97 18A 0 91,-3.7 93,-2.4 -2,-0.4 2,-0.4 -0.987 19.3-156.9-135.9 142.3 34.8 14.7 53.8 6 7 A G E -aB 98 17A 0 11,-2.0 11,-3.2 -2,-0.4 2,-0.5 -0.929 16.4-157.1-107.8 135.8 33.9 16.3 50.5 7 8 A I E -aB 99 16A 0 91,-2.3 93,-2.1 -2,-0.4 2,-0.7 -0.946 11.3-163.1-113.7 127.6 34.3 14.2 47.4 8 9 A D E - B 0 15A 20 7,-2.9 7,-1.4 -2,-0.5 2,-0.5 -0.813 16.7-162.7-103.6 87.5 34.7 15.7 43.8 9 10 A L + 0 0 16 -2,-0.7 2,-0.3 91,-0.3 5,-0.2 -0.590 19.1 174.0 -68.6 117.4 33.9 12.6 41.7 10 11 A G - 0 0 15 -2,-0.5 54,-0.2 144,-0.0 57,-0.1 -0.783 46.4-119.9-121.9 168.9 35.3 13.4 38.2 11 12 A T S S+ 0 0 27 -2,-0.3 3,-0.1 55,-0.1 -2,-0.1 0.386 114.0 32.4 -87.9 3.8 35.6 11.5 35.0 12 13 A A S S- 0 0 46 1,-0.4 17,-2.7 15,-0.1 2,-0.4 0.575 130.0 -3.0-115.8 -81.6 39.4 12.1 35.2 13 14 A N E - C 0 28A 54 15,-0.3 2,-0.4 16,-0.1 -1,-0.4 -0.939 61.1-135.6-116.8 141.1 40.6 12.2 38.8 14 15 A T E - C 0 27A 0 13,-2.5 13,-1.6 -2,-0.4 2,-0.4 -0.787 20.7-160.8 -90.0 135.6 38.6 11.9 42.0 15 16 A L E -BC 8 26A 6 -7,-1.4 -7,-2.9 -2,-0.4 2,-0.5 -0.959 2.4-161.9-117.9 132.2 39.7 14.4 44.7 16 17 A V E -BC 7 25A 0 9,-2.2 8,-2.0 -2,-0.4 9,-1.1 -0.961 4.0-156.8-119.6 121.4 38.8 13.9 48.4 17 18 A F E -BC 6 23A 19 -11,-3.2 -11,-2.0 -2,-0.5 2,-0.4 -0.828 4.8-161.1 -96.4 125.7 38.9 16.8 50.8 18 19 A L E >> -BC 5 22A 9 4,-3.4 4,-2.1 -2,-0.5 3,-1.3 -0.881 22.1-122.1-101.3 134.8 39.4 16.0 54.5 19 20 A R T 34 S+ 0 0 82 -15,-2.0 -15,-0.3 -2,-0.4 297,-0.0 -0.638 99.4 20.9 -78.2 128.2 38.4 18.7 57.0 20 21 A G T 34 S+ 0 0 85 -2,-0.4 -1,-0.2 -17,-0.1 -17,-0.0 0.309 132.5 43.9 96.6 -4.4 41.4 19.6 59.2 21 22 A K T <4 S- 0 0 161 -3,-1.3 2,-0.3 1,-0.1 -2,-0.2 0.619 91.1-132.9-134.5 -59.7 43.8 18.3 56.6 22 23 A G E < -C 18 0A 17 -4,-2.1 -4,-3.4 294,-0.0 2,-1.0 -0.914 64.9 -1.7 132.0-161.3 43.2 19.1 53.0 23 24 A I E +C 17 0A 58 -2,-0.3 -6,-0.2 -6,-0.3 3,-0.1 -0.614 61.5 170.0 -64.5 104.1 43.1 17.2 49.8 24 25 A V E + 0 0 41 -8,-2.0 2,-0.3 -2,-1.0 -1,-0.2 0.411 61.7 44.5 -98.6 -2.2 44.1 13.8 51.2 25 26 A V E +C 16 0A 5 -9,-1.1 -9,-2.2 -3,-0.1 2,-0.3 -0.901 44.4 157.3-149.7 120.0 43.3 12.0 47.9 26 27 A N E +C 15 0A 82 -2,-0.3 -11,-0.2 -11,-0.2 -13,-0.0 -0.806 30.6 141.0-134.7 96.5 44.0 12.6 44.2 27 28 A E E -C 14 0A 13 -13,-1.6 -13,-2.5 -2,-0.3 17,-0.1 -0.954 55.9 -90.5-133.9 150.0 43.8 9.3 42.3 28 29 A P E -C 13 0A 11 0, 0.0 2,-2.1 0, 0.0 -15,-0.3 -0.305 37.4-115.8 -63.3 143.8 42.4 8.5 38.8 29 30 A S S S+ 0 0 2 -17,-2.7 2,-0.4 14,-0.1 35,-0.3 -0.369 73.5 119.1 -78.8 64.1 38.7 7.4 38.6 30 31 A V - 0 0 2 -2,-2.1 14,-2.5 32,-0.2 2,-0.4 -0.983 46.0-163.0-137.9 134.7 39.4 3.9 37.4 31 32 A I E -FG 43 61B 0 30,-2.6 30,-2.7 -2,-0.4 2,-0.6 -0.945 15.3-148.5-110.6 139.4 38.9 0.2 38.5 32 33 A A E -FG 42 60B 0 10,-2.6 9,-2.7 -2,-0.4 10,-1.5 -0.928 17.4-177.5-104.6 120.0 40.9 -2.6 36.8 33 34 A I E -FG 40 59B 16 26,-2.6 26,-2.8 -2,-0.6 7,-0.2 -0.887 36.8 -98.3-114.1 149.7 39.1 -5.9 36.6 34 35 A D > - 0 0 29 5,-1.6 4,-1.6 -2,-0.3 5,-0.4 -0.486 32.3-125.8 -70.8 133.6 40.7 -9.2 35.2 35 36 A S T 4 S+ 0 0 57 22,-0.4 -1,-0.2 -2,-0.2 23,-0.1 0.537 101.2 36.2 -60.5 -6.1 39.6 -9.6 31.6 36 37 A T T 4 S+ 0 0 121 21,-0.2 -1,-0.2 3,-0.1 22,-0.0 0.838 122.5 29.1-112.4 -58.9 38.3 -13.1 32.2 37 38 A T T 4 S- 0 0 112 2,-0.1 -2,-0.1 1,-0.0 3,-0.1 0.856 91.9-122.5 -75.0 -38.7 36.6 -13.5 35.7 38 39 A G < + 0 0 49 -4,-1.6 2,-0.8 1,-0.2 -3,-0.1 0.731 52.7 165.6 89.0 31.3 35.4 -9.9 36.2 39 40 A E - 0 0 111 -5,-0.4 -5,-1.6 1,-0.0 2,-0.3 -0.746 40.9-128.4 -87.1 106.1 37.4 -9.9 39.4 40 41 A I E +F 33 0B 78 -2,-0.8 -7,-0.2 -7,-0.2 3,-0.1 -0.418 38.0 171.2 -54.5 113.9 37.8 -6.4 40.6 41 42 A L E - 0 0 66 -9,-2.7 2,-0.3 1,-0.3 -8,-0.2 0.897 51.6 -1.0 -95.5 -64.5 41.6 -6.2 41.1 42 43 A K E -F 32 0B 72 -10,-1.5 -10,-2.6 5,-0.1 2,-0.4 -0.917 53.2-154.4-131.0 159.3 42.6 -2.6 41.8 43 44 A V E > -F 31 0B 10 -2,-0.3 3,-0.6 -12,-0.2 -12,-0.2 -0.982 58.4 -8.0-128.8 144.2 41.0 0.7 42.2 44 45 A G T >> S- 0 0 0 -14,-2.5 3,-1.4 -2,-0.4 4,-1.3 -0.472 122.4 -6.8 85.2-143.3 42.6 4.2 41.7 45 46 A L H 3> S+ 0 0 72 1,-0.3 4,-2.7 2,-0.2 3,-0.4 0.907 130.8 61.2 -60.7 -43.9 46.3 4.9 41.1 46 47 A E H <> S+ 0 0 88 -3,-0.6 4,-1.3 1,-0.2 -1,-0.3 0.746 109.2 46.0 -50.5 -24.6 47.1 1.3 41.7 47 48 A A H <4 S+ 0 0 0 -3,-1.4 4,-0.5 -17,-0.2 -2,-0.2 0.699 105.9 54.7 -95.1 -27.3 44.8 0.7 38.7 48 49 A K H < S+ 0 0 44 -4,-1.3 4,-0.4 -3,-0.4 3,-0.2 0.903 112.4 49.2 -68.2 -37.7 46.2 3.4 36.5 49 50 A N H >X S+ 0 0 85 -4,-2.7 3,-1.7 1,-0.2 4,-1.2 0.957 110.7 42.6 -67.7 -55.9 49.6 1.7 37.0 50 51 A M H 3X S+ 0 0 49 -4,-1.3 4,-1.7 1,-0.3 -1,-0.2 0.559 106.9 65.0 -72.6 -5.1 48.8 -1.9 36.3 51 52 A I H 34 S+ 0 0 28 -4,-0.5 -1,-0.3 -3,-0.2 -2,-0.2 0.663 105.9 43.5 -86.2 -15.9 46.8 -0.8 33.3 52 53 A G H <4 S+ 0 0 41 -3,-1.7 -2,-0.2 -4,-0.4 -1,-0.1 0.643 117.9 44.7-100.5 -21.8 50.0 0.5 31.8 53 54 A K H < S+ 0 0 179 -4,-1.2 -2,-0.2 1,-0.2 -3,-0.2 0.915 133.2 12.9 -80.9 -49.4 52.0 -2.5 32.8 54 55 A T >< + 0 0 65 -4,-1.7 3,-1.2 -5,-0.1 -1,-0.2 -0.564 66.8 152.3-132.5 66.4 49.5 -5.3 31.7 55 56 A P G > S+ 0 0 81 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.696 70.7 65.7 -72.9 -15.5 46.7 -3.8 29.6 56 57 A A G 3 S+ 0 0 92 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.0 0.522 102.0 45.4 -87.4 -7.1 46.1 -7.1 27.8 57 58 A T G < S+ 0 0 77 -3,-1.2 -22,-0.4 -23,-0.0 2,-0.3 -0.179 107.9 69.2-124.6 38.4 44.9 -8.9 30.9 58 59 A I < - 0 0 19 -3,-0.8 2,-0.5 -24,-0.3 -24,-0.2 -0.993 60.3-146.6-161.4 141.6 42.6 -6.2 32.2 59 60 A K E -G 33 0B 128 -26,-2.8 -26,-2.6 -2,-0.3 2,-0.6 -0.971 25.0-144.4-108.9 126.9 39.3 -4.4 31.5 60 61 A A E -G 32 0B 51 -2,-0.5 2,-0.5 -28,-0.2 -28,-0.2 -0.849 15.4-167.9 -96.4 123.4 39.4 -0.7 32.6 61 62 A I E -G 31 0B 38 -30,-2.7 -30,-2.6 -2,-0.6 -2,-0.0 -0.952 11.1-165.0-117.4 125.6 36.1 0.6 34.0 62 63 A R - 0 0 90 -2,-0.5 -32,-0.2 -32,-0.2 9,-0.1 -0.892 10.7-156.8-111.2 100.0 35.4 4.3 34.6 63 64 A P S S+ 0 0 2 0, 0.0 7,-1.8 0, 0.0 2,-1.1 0.670 80.8 63.3 -53.9 -34.6 32.3 4.5 36.8 64 65 A M + 0 0 11 -35,-0.3 5,-0.2 -54,-0.2 -35,-0.0 -0.751 66.2 178.8 -97.1 88.4 31.2 8.0 35.9 65 66 A R S S- 0 0 199 -2,-1.1 -1,-0.2 3,-0.2 4,-0.1 0.924 72.8 -17.3 -54.4 -57.8 30.5 7.5 32.1 66 67 A D S S- 0 0 47 2,-0.4 -55,-0.1 91,-0.0 89,-0.1 0.649 124.1 -39.6-116.0 -82.1 29.4 11.1 31.3 67 68 A G S S+ 0 0 29 89,-0.1 90,-0.1 -57,-0.1 2,-0.1 0.632 120.6 37.0-120.5 -36.3 28.4 13.2 34.3 68 69 A V S S- 0 0 30 1,-0.1 2,-0.5 33,-0.1 -2,-0.4 -0.099 97.9 -60.8-106.3-159.0 26.6 10.8 36.6 69 70 A I + 0 0 25 -5,-0.2 3,-0.2 40,-0.2 -5,-0.2 -0.810 44.9 162.0 -99.2 122.1 26.7 7.2 37.7 70 71 A A S S+ 0 0 65 -7,-1.8 2,-1.5 -2,-0.5 -1,-0.2 0.885 72.9 42.2 -97.2 -66.6 26.3 4.4 35.2 71 72 A D >> - 0 0 71 -8,-0.7 4,-2.7 1,-0.2 3,-1.3 -0.603 70.0-174.9 -89.8 80.9 27.7 1.2 36.7 72 73 A Y H 3> S+ 0 0 75 -2,-1.5 4,-2.2 1,-0.3 -1,-0.2 0.704 80.7 51.7 -52.1 -29.2 26.2 1.5 40.2 73 74 A T H 3> S+ 0 0 91 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.855 112.4 45.7 -76.5 -34.6 28.0 -1.6 41.5 74 75 A V H <> S+ 0 0 13 -3,-1.3 4,-2.8 2,-0.2 -2,-0.2 0.903 114.0 49.8 -73.5 -40.9 31.3 -0.3 40.2 75 76 A A H >X S+ 0 0 2 -4,-2.7 4,-2.5 2,-0.2 3,-0.8 0.997 106.0 54.4 -54.0 -71.9 30.6 3.1 41.7 76 77 A L H 3X S+ 0 0 13 -4,-2.2 4,-2.1 1,-0.3 -1,-0.2 0.800 113.2 45.6 -22.7 -51.5 29.6 1.7 45.0 77 78 A V H 3X S+ 0 0 36 -4,-1.4 4,-1.6 2,-0.2 -1,-0.3 0.886 114.3 45.4 -71.0 -43.4 33.0 -0.0 45.0 78 79 A M H XX S+ 0 0 0 -4,-2.8 4,-1.8 -3,-0.8 3,-1.2 0.996 114.2 49.7 -62.1 -60.1 35.0 3.0 43.8 79 80 A L H 3X S+ 0 0 4 -4,-2.5 4,-2.1 1,-0.3 5,-0.3 0.869 108.7 52.6 -38.1 -49.8 33.2 5.2 46.3 80 81 A R H 3X S+ 0 0 103 -4,-2.1 4,-0.8 -5,-0.5 -1,-0.3 0.852 108.5 53.6 -64.7 -30.7 33.9 2.7 49.0 81 82 A Y H - 0 0 69 -2,-0.4 4,-2.3 1,-0.1 3,-0.2 -0.331 27.0-119.2 -70.6 149.2 17.2 13.8 37.7 107 108 A D H > S+ 0 0 61 1,-0.2 4,-4.1 2,-0.2 5,-0.2 0.903 116.9 58.0 -59.1 -36.8 16.1 12.9 41.2 108 109 A V H > S+ 0 0 117 2,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.929 106.8 45.3 -53.1 -50.8 16.5 9.3 40.3 109 110 A E H > S+ 0 0 65 1,-0.2 4,-1.4 -3,-0.2 -1,-0.2 0.837 116.3 50.6 -62.4 -29.0 20.1 9.9 39.4 110 111 A R H X S+ 0 0 19 -4,-2.3 4,-1.8 2,-0.2 -2,-0.3 0.934 105.0 52.4 -72.2 -50.0 20.2 11.8 42.7 111 112 A R H X S+ 0 0 108 -4,-4.1 4,-2.1 2,-0.2 -2,-0.2 0.910 107.5 57.7 -49.7 -44.7 18.6 9.0 44.8 112 113 A A H >X S+ 0 0 26 -4,-2.0 4,-1.9 -5,-0.2 3,-1.3 0.968 104.8 44.3 -53.2 -74.8 21.2 6.7 43.5 113 114 A I H 3X S+ 0 0 11 -4,-1.4 4,-2.4 1,-0.3 5,-0.2 0.790 110.6 57.2 -42.5 -37.8 24.4 8.5 44.5 114 115 A L H 3X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.3 0.948 111.8 42.4 -59.8 -45.2 22.9 9.1 47.9 115 116 A D H S+ 0 0 0 -4,-2.4 5,-1.9 1,-0.2 4,-0.9 0.927 110.2 51.4 -49.0 -50.5 27.5 6.8 49.3 118 119 A L H <5S+ 0 0 52 -4,-2.1 3,-0.3 -5,-0.2 -1,-0.2 0.874 115.6 42.0 -59.6 -35.8 25.5 5.4 52.2 119 120 A E H <5S+ 0 0 113 -4,-2.7 -2,-0.2 -3,-0.2 -1,-0.2 0.941 103.9 65.3 -75.2 -45.9 26.6 1.9 51.3 120 121 A A H <5S- 0 0 2 -4,-4.1 -1,-0.2 -5,-0.2 -2,-0.2 0.672 131.6 -83.5 -51.5 -18.7 30.1 2.9 50.6 121 122 A G T <5S+ 0 0 10 -4,-0.9 -3,-0.2 -3,-0.3 2,-0.2 0.407 80.1 140.6 133.2 -2.6 30.4 3.7 54.3 122 123 A A < - 0 0 2 -5,-1.9 -1,-0.3 -28,-0.2 -26,-0.2 -0.474 39.8-155.3 -70.8 138.8 29.1 7.2 55.0 123 124 A S S S+ 0 0 27 -28,-2.1 2,-0.3 1,-0.3 -27,-0.2 0.707 87.5 5.7 -79.4 -22.1 27.1 7.7 58.1 124 125 A K E S-d 96 0A 92 -29,-0.8 -27,-2.6 211,-0.1 2,-0.4 -0.961 73.4-160.5-160.5 140.2 25.4 10.7 56.4 125 126 A V E -dE 97 334A 0 209,-3.1 209,-1.0 -2,-0.3 2,-0.3 -0.986 5.1-172.7-133.6 139.5 25.6 12.0 52.9 126 127 A F E -dE 98 333A 21 -29,-2.9 -27,-3.0 -2,-0.4 2,-0.3 -0.938 12.6-144.2-124.6 154.1 24.9 15.3 51.2 127 128 A L E +d 99 0A 0 205,-1.2 2,-0.3 -2,-0.3 -27,-0.2 -0.780 17.5 174.6-108.7 161.6 24.8 16.5 47.6 128 129 A I E -d 100 0A 1 -29,-1.2 -27,-2.0 -2,-0.3 190,-0.1 -0.886 38.8-105.1-165.1 125.3 25.8 19.9 46.2 129 130 A E E >> -d 101 0A 44 -2,-0.3 4,-2.0 -29,-0.2 3,-0.7 -0.369 36.7-116.0 -57.6 135.8 26.0 21.0 42.6 130 131 A E H 3> S+ 0 0 21 -29,-3.1 4,-2.4 1,-0.2 -1,-0.1 0.797 110.7 52.4 -45.0 -41.6 29.7 21.2 41.5 131 132 A P H 3> S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 -1,-0.2 0.903 106.9 49.7 -68.9 -40.5 29.6 25.0 40.9 132 133 A M H <> S+ 0 0 13 -3,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.925 112.1 50.2 -62.3 -43.2 28.2 26.0 44.3 133 134 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.953 111.3 48.8 -55.5 -49.4 30.8 23.8 45.9 134 135 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 3,-0.3 0.956 109.6 51.0 -55.1 -53.0 33.5 25.6 43.7 135 136 A A H <>S+ 0 0 0 -4,-3.1 5,-1.2 1,-0.2 -1,-0.2 0.887 113.1 46.7 -53.1 -41.4 32.2 29.0 44.6 136 137 A I H <5S+ 0 0 7 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.815 108.9 54.4 -70.0 -31.4 32.4 28.1 48.3 137 138 A G H <5S+ 0 0 1 -4,-2.1 2,-0.3 -3,-0.3 -2,-0.2 0.858 108.2 50.5 -74.7 -41.1 35.9 26.6 48.0 138 139 A S T <5S- 0 0 7 -4,-2.7 2,-0.5 -5,-0.2 169,-0.0 -0.708 113.4-113.5 -76.1 149.8 37.2 29.8 46.5 139 140 A N T 5 + 0 0 112 -2,-0.3 581,-0.2 2,-0.1 -3,-0.2 -0.042 63.2 145.9 -93.7 43.5 35.8 32.1 49.2 140 141 A L < - 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0 0 41 -2,-0.3 4,-2.8 1,-0.1 3,-0.4 -0.304 28.9 -95.5 -93.9 173.3 2.4 43.6 34.7 533 200 B E H > S+ 0 0 106 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.929 122.3 50.7 -47.3 -57.3 1.4 41.6 31.6 534 201 B R H > S+ 0 0 191 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.847 112.0 47.6 -55.3 -36.7 5.0 41.4 30.3 535 202 B T H > S+ 0 0 35 -3,-0.4 4,-2.2 2,-0.2 3,-0.3 0.961 110.0 51.0 -71.8 -51.1 6.2 40.1 33.7 536 203 B A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 3,-0.2 0.934 109.6 53.2 -43.8 -50.5 3.5 37.6 34.1 537 204 B E H X S+ 0 0 67 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.868 107.9 49.1 -58.8 -37.2 4.4 36.4 30.6 538 205 B R H X S+ 0 0 84 -4,-1.6 4,-2.5 -3,-0.3 -1,-0.2 0.833 108.5 53.1 -73.6 -32.5 8.1 35.9 31.5 539 206 B V H X>S+ 0 0 0 -4,-2.2 4,-3.6 -3,-0.2 5,-0.7 0.952 105.2 55.7 -62.5 -46.8 7.2 34.0 34.6 540 207 B K H X5S+ 0 0 35 -4,-2.2 4,-1.0 -5,-0.2 -2,-0.2 0.867 112.3 42.6 -54.4 -44.0 5.0 31.6 32.4 541 208 B I H <5S+ 0 0 122 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.982 120.0 40.5 -62.4 -58.8 8.1 30.9 30.3 542 209 B E H <5S+ 0 0 69 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.868 139.3 2.6 -66.7 -41.4 10.6 30.5 33.1 543 210 B I H <5S+ 0 0 0 -4,-3.6 -3,-0.2 -5,-0.2 -1,-0.2 0.287 87.3 135.9-133.2 15.1 8.6 28.6 35.7 544 211 B G << + 0 0 0 -4,-1.0 80,-0.7 -5,-0.7 2,-0.3 -0.385 25.0 148.8 -69.3 143.8 5.2 27.9 34.1 545 212 B N B -c 624 0K 0 78,-0.2 80,-0.2 34,-0.1 39,-0.2 -0.932 37.3-170.0-176.1 144.8 3.9 24.4 34.6 546 213 B V S S+ 0 0 0 78,-3.0 79,-0.2 -2,-0.3 -1,-0.1 0.473 70.2 76.8-125.0 -7.4 0.7 22.3 35.0 547 214 B F S S- 0 0 47 77,-0.6 5,-0.1 2,-0.0 -1,-0.1 -0.939 81.0-117.7-113.2 124.8 2.0 18.8 36.0 548 215 B P + 0 0 75 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.292 53.6 136.2 -57.6 128.0 3.3 18.0 39.6 549 216 B S > - 0 0 45 1,-0.1 4,-1.7 -2,-0.0 5,-0.2 -0.907 61.5-120.8-173.0 143.9 6.9 17.0 39.7 550 217 B K H > S+ 0 0 112 -2,-0.3 4,-2.6 1,-0.2 3,-0.4 0.924 116.9 52.9 -55.9 -43.8 10.1 17.7 41.7 551 218 B E H > S+ 0 0 110 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.897 110.0 47.8 -59.3 -40.4 11.8 19.0 38.6 552 219 B N H 4 S+ 0 0 15 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.735 115.1 44.7 -75.0 -22.1 8.9 21.4 38.0 553 220 B D H < S+ 0 0 57 -4,-1.7 24,-0.5 -3,-0.4 23,-0.3 0.704 101.8 65.4 -91.3 -26.2 8.9 22.6 41.6 554 221 B E H < S+ 0 0 102 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.798 85.6 104.8 -56.8 -31.3 12.7 22.9 41.6 555 222 B L < + 0 0 29 -4,-0.8 21,-2.9 -5,-0.2 22,-0.4 -0.257 47.6 165.5 -58.2 129.9 12.0 25.7 39.1 556 223 B E E + B 0 575J 54 19,-0.2 2,-0.3 -14,-0.1 19,-0.2 -0.987 15.7 174.9-151.4 143.9 12.3 29.3 40.1 557 224 B T E - B 0 574J 4 17,-1.9 17,-2.6 -2,-0.3 2,-0.4 -0.808 24.8-128.3-128.3 174.3 12.6 32.7 38.7 558 225 B T E - B 0 573J 24 -2,-0.3 2,-0.2 15,-0.2 15,-0.2 -0.975 23.2-172.7-133.1 121.1 12.6 36.2 40.3 559 226 B V E - 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0 0 40 -5,-1.0 2,-0.2 -2,-0.2 -2,-0.1 -0.726 35.7-165.8-113.7 122.9 5.9 -9.2 23.9 778 22 S T > - 0 0 44 -2,-0.6 4,-3.2 1,-0.1 5,-0.3 -0.593 28.9-126.3 -92.2 143.0 3.5 -9.5 21.0 779 23 S L H > S+ 0 0 45 -2,-0.2 4,-2.4 1,-0.2 -1,-0.1 0.929 113.8 46.5 -49.0 -51.0 2.8 -7.1 18.2 780 24 S L H > S+ 0 0 95 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.885 113.8 48.5 -65.5 -37.6 -0.9 -7.1 18.9 781 25 S D H >> S+ 0 0 69 2,-0.2 3,-1.0 1,-0.2 4,-0.9 0.937 110.3 49.6 -66.4 -46.2 -0.3 -6.7 22.6 782 26 S A H >X S+ 0 0 0 -4,-3.2 4,-2.0 1,-0.3 3,-0.8 0.873 102.1 66.6 -56.1 -38.0 2.2 -3.8 22.0 783 27 S S H 3< S+ 0 0 14 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.891 101.4 47.0 -44.2 -44.3 -0.6 -2.4 19.9 784 28 S L H << S+ 0 0 113 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.671 112.8 47.4 -81.9 -19.4 -2.7 -2.0 23.0 785 29 S F H << S+ 0 0 134 -4,-0.9 2,-0.7 -3,-0.8 -2,-0.2 0.936 123.6 29.4 -85.8 -61.9 0.0 -0.3 25.1 786 30 S T S < S- 0 0 13 -4,-2.0 2,-3.4 2,-0.1 -1,-0.4 -0.912 95.0-128.1 -89.0 121.2 1.1 2.2 22.5 787 31 S N + 0 0 73 -2,-0.7 2,-0.7 -3,-0.2 -3,-0.1 0.131 66.9 134.1 -64.6 35.2 -2.0 2.8 20.6 788 32 S I - 0 0 0 -2,-3.4 5,-0.2 -6,-0.4 -2,-0.1 -0.776 64.1-115.9 -92.9 109.9 -0.0 2.0 17.5 789 33 S N >> - 0 0 71 -2,-0.7 4,-2.0 1,-0.1 3,-0.6 -0.050 23.6-123.5 -36.8 138.9 -1.7 -0.4 15.0 790 34 S P H 3> S+ 0 0 34 0, 0.0 4,-3.0 0, 0.0 -1,-0.1 0.820 109.2 63.9 -69.9 -28.5 0.4 -3.5 14.8 791 35 S S H 3> S+ 0 0 68 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.902 107.1 43.8 -55.8 -43.2 0.7 -3.2 11.0 792 36 S K H <> S+ 0 0 40 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.895 111.0 52.9 -69.7 -44.0 2.6 0.1 11.7 793 37 S L H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.913 110.7 50.8 -52.1 -43.4 4.7 -1.6 14.4 794 38 S K H X S+ 0 0 107 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.946 110.5 45.4 -63.3 -52.1 5.5 -4.2 11.8 795 39 S R H <>S+ 0 0 73 -4,-2.6 5,-3.7 1,-0.2 -1,-0.2 0.808 113.7 51.5 -62.7 -29.7 6.6 -1.8 9.1 796 40 S I H ><5S+ 0 0 0 -4,-2.2 3,-1.5 3,-0.2 -1,-0.2 0.889 108.6 50.1 -72.7 -39.5 8.7 0.1 11.7 797 41 S E H 3<5S+ 0 0 11 -4,-2.2 -28,-0.2 1,-0.3 -2,-0.2 0.765 112.6 47.3 -72.3 -25.3 10.4 -3.0 12.9 798 42 S E T 3<5S- 0 0 97 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 -0.018 117.5-118.1-100.7 28.9 11.2 -3.9 9.3 799 43 S G T < 5 + 0 0 13 -3,-1.5 2,-0.5 -38,-0.3 -3,-0.2 0.800 66.9 140.0 38.9 51.1 12.4 -0.3 8.8 800 44 S D < + 0 0 67 -5,-3.7 -1,-0.2 1,-0.1 -3,-0.1 -0.706 8.6 143.0-119.2 79.8 9.9 0.6 6.1 801 45 S L > + 0 0 1 -2,-0.5 3,-3.5 -5,-0.1 4,-0.3 0.814 26.4 117.5 -90.0 -32.7 9.0 4.2 7.0 802 46 S K T 3 S- 0 0 164 1,-0.3 -2,-0.0 -3,-0.2 0, 0.0 -0.061 98.8 -7.0 -39.9 122.4 8.6 5.8 3.6 803 47 S G T 3 S+ 0 0 74 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.665 96.7 130.6 60.8 17.5 5.0 6.9 3.3 804 48 S L S < S- 0 0 18 -3,-3.5 2,-0.3 1,-0.3 -2,-0.1 0.996 80.1 -37.9 -57.8 -80.3 4.1 5.2 6.6 805 49 S D S S- 0 0 18 -4,-0.3 -1,-0.3 -13,-0.0 -2,-0.1 -0.824 88.4 -54.9-133.7-179.3 2.4 8.2 8.2 806 50 S A >> - 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