==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/OXIDOREDUCTASE/LYASE 03-JUN-03 1PJS . COMPND 2 MOLECULE: SIROHEME SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR M.E.STROUPE,H.K.LEECH,D.S.DANIELS,M.J.WARREN,E.D.GETZOFF . 899 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36184.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 664 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 99 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 9.2 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 72 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 124 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 240 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.7 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 8 2 0 5 4 3 1 1 4 4 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 12 3 3 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 . 6 2 1 1 7 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 4 0 0 0 0 1 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 27 0, 0.0 3,-0.0 0, 0.0 568,-0.0 0.000 360.0 360.0 360.0 143.8 -47.0 133.9 33.4 2 2 A D + 0 0 13 1,-0.1 2,-0.3 453,-0.1 455,-0.3 0.531 360.0 33.0 -87.0 -0.8 -50.4 135.4 32.7 3 3 A H - 0 0 11 452,-0.1 452,-0.2 453,-0.1 -1,-0.1 -0.996 66.6-143.8-149.4 149.3 -49.9 135.1 28.9 4 4 A L E -A 454 0A 0 450,-2.7 450,-2.2 -2,-0.3 2,-0.3 -0.951 22.4-141.7-116.2 114.6 -48.2 132.7 26.5 5 5 A P E +A 453 0A 0 0, 0.0 2,-0.3 0, 0.0 448,-0.2 -0.579 24.1 175.0 -79.9 135.7 -46.6 134.4 23.5 6 6 A I E -A 452 0A 0 446,-2.7 446,-2.7 -2,-0.3 2,-0.7 -0.978 29.1-134.2-136.8 150.6 -46.7 132.7 20.1 7 7 A F E -AB 451 558A 1 551,-2.5 551,-2.7 -2,-0.3 2,-0.2 -0.900 28.7-156.8-108.1 104.0 -45.7 133.6 16.6 8 8 A C E -AB 450 557A 0 442,-2.1 442,-2.6 -2,-0.7 2,-0.7 -0.566 14.1-138.0 -84.6 142.5 -48.5 132.7 14.2 9 9 A Q + 0 0 38 547,-3.1 440,-0.1 -2,-0.2 26,-0.1 -0.897 24.9 177.3 -97.4 113.0 -48.0 132.1 10.5 10 10 A L > + 0 0 0 -2,-0.7 3,-2.0 24,-0.5 27,-0.5 0.338 26.6 135.6-102.0 5.8 -51.0 133.9 8.9 11 11 A R B 3 S-D 36 0B 110 1,-0.3 25,-0.2 437,-0.2 24,-0.1 -0.387 87.0 -8.6 -60.9 123.6 -50.3 133.3 5.2 12 12 A D T 3 S+ 0 0 129 23,-1.2 2,-0.5 1,-0.2 -1,-0.3 0.702 104.2 127.0 61.1 23.1 -53.5 132.3 3.5 13 13 A R < - 0 0 29 -3,-2.0 24,-1.6 22,-0.2 -1,-0.2 -0.951 63.0-117.4-113.3 126.4 -55.3 132.0 6.8 14 14 A D E +e 37 0C 33 -2,-0.5 60,-2.5 58,-0.5 61,-0.6 -0.322 35.5 178.1 -63.1 141.6 -58.6 133.9 7.1 15 15 A C E -ef 38 75C 0 22,-1.7 24,-1.5 58,-0.2 2,-0.5 -0.975 15.3-143.1-142.0 152.2 -58.8 136.6 9.8 16 16 A L E -ef 39 76C 0 59,-2.8 61,-2.8 -2,-0.3 2,-0.5 -0.966 11.9-175.1-128.5 129.4 -61.5 139.0 10.8 17 17 A I E -ef 40 77C 0 22,-2.4 24,-2.3 -2,-0.5 2,-0.6 -0.979 12.6-158.3-116.8 127.4 -61.4 142.6 11.9 18 18 A V E +ef 41 78C 6 59,-2.5 61,-2.9 -2,-0.5 24,-0.2 -0.950 63.0 43.0-106.9 117.3 -64.8 144.1 12.9 19 19 A G - 0 0 5 22,-3.2 61,-0.2 -2,-0.6 22,-0.1 -0.367 60.6-145.0 126.7 154.3 -64.6 147.8 12.7 20 20 A G + 0 0 9 -2,-0.2 26,-1.6 59,-0.1 29,-0.2 -0.005 58.0 96.9-146.0 37.6 -63.2 150.2 10.1 21 21 A G S > S- 0 0 29 58,-0.5 4,-2.2 24,-0.2 25,-0.1 -0.183 91.7 -63.9-107.5-157.0 -61.8 153.3 11.8 22 22 A D H > S+ 0 0 108 2,-0.2 4,-1.5 1,-0.2 57,-0.0 0.876 132.5 46.6 -60.2 -44.4 -58.3 154.5 12.9 23 23 A V H > S+ 0 0 56 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.958 113.6 48.8 -64.5 -49.1 -57.9 151.7 15.5 24 24 A A H > S+ 0 0 0 55,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.872 105.9 60.6 -57.3 -38.5 -59.1 149.1 13.1 25 25 A E H X S+ 0 0 30 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.907 103.2 46.5 -59.4 -47.6 -56.7 150.4 10.4 26 26 A R H X S+ 0 0 145 -4,-1.5 4,-1.5 -3,-0.2 -1,-0.2 0.898 113.5 49.7 -65.3 -37.5 -53.4 149.9 12.3 27 27 A K H X S+ 0 0 43 -4,-1.6 4,-2.3 1,-0.2 3,-0.3 0.932 110.3 50.3 -63.9 -44.6 -54.5 146.4 13.3 28 28 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.837 103.9 61.3 -61.3 -32.7 -55.4 145.6 9.7 29 29 A R H X S+ 0 0 101 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.913 107.6 42.9 -61.5 -43.0 -51.9 147.0 8.7 30 30 A L H X S+ 0 0 40 -4,-1.5 4,-1.9 -3,-0.3 -2,-0.2 0.935 111.7 52.0 -70.6 -46.7 -50.2 144.3 10.8 31 31 A L H <>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 -2,-0.2 0.932 112.7 47.8 -55.9 -42.1 -52.5 141.4 9.7 32 32 A L H ><5S+ 0 0 31 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.914 110.0 50.3 -64.9 -43.2 -51.8 142.4 6.1 33 33 A E H 3<5S+ 0 0 96 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.768 107.3 55.5 -66.7 -23.0 -48.0 142.7 6.6 34 34 A A T 3<5S- 0 0 0 -4,-1.9 -24,-0.5 -3,-0.1 -1,-0.3 0.450 120.7-116.2 -85.5 -2.3 -48.2 139.2 8.1 35 35 A G T < 5 + 0 0 24 -3,-1.8 -23,-1.2 -5,-0.2 -22,-0.2 0.752 54.3 165.2 75.7 28.7 -49.8 138.1 4.9 36 36 A A B < -D 11 0B 9 -5,-2.4 2,-1.2 -25,-0.2 -1,-0.2 -0.367 47.4-118.2 -77.4 153.6 -53.3 137.2 6.2 37 37 A R E -e 14 0C 146 -24,-1.6 -22,-1.7 -27,-0.5 2,-0.2 -0.814 52.1-161.6 -89.3 98.5 -56.3 136.6 4.0 38 38 A L E -e 15 0C 5 -2,-1.2 21,-1.6 19,-0.5 2,-0.4 -0.587 26.9-173.7 -94.5 148.8 -58.3 139.5 5.7 39 39 A T E -eg 16 59C 26 -24,-1.5 -22,-2.4 -2,-0.2 2,-0.5 -0.999 10.3-159.6-135.8 132.3 -62.0 140.5 5.9 40 40 A V E -eg 17 60C 0 19,-2.4 21,-2.9 -2,-0.4 2,-0.6 -0.971 2.8-167.2-120.4 120.0 -63.2 143.7 7.5 41 41 A N E +eg 18 61C 0 -24,-2.3 -22,-3.2 -2,-0.5 2,-0.3 -0.927 26.0 146.9-107.3 119.8 -66.7 144.1 8.6 42 42 A A E - g 0 62C 6 19,-2.0 21,-1.6 -2,-0.6 3,-0.1 -0.990 53.8-134.5-157.2 147.1 -67.8 147.7 9.5 43 43 A L S S+ 0 0 124 -2,-0.3 2,-0.3 19,-0.2 -1,-0.1 0.911 101.0 11.7 -63.8 -43.8 -70.7 150.1 9.4 44 44 A T S S- 0 0 112 19,-0.1 2,-0.4 -3,-0.1 -1,-0.1 -0.900 73.9-148.1-132.2 160.2 -68.5 152.8 7.9 45 45 A F - 0 0 30 -2,-0.3 -24,-0.2 -3,-0.1 -25,-0.0 -0.994 10.1-134.1-134.8 137.7 -65.0 152.7 6.4 46 46 A I >> - 0 0 44 -26,-1.6 3,-1.3 -2,-0.4 4,-0.9 -0.490 41.7 -93.2 -84.2 161.6 -62.2 155.2 6.3 47 47 A P H >> S+ 0 0 103 0, 0.0 4,-2.2 0, 0.0 3,-0.5 0.787 117.5 60.1 -39.5 -52.4 -60.2 155.9 3.0 48 48 A Q H 3> S+ 0 0 56 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.834 100.0 57.2 -54.3 -35.4 -57.3 153.5 3.5 49 49 A F H <> S+ 0 0 0 -3,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.918 107.6 47.4 -62.4 -42.1 -59.7 150.5 3.6 50 50 A T H < S+ 0 0 59 -4,-2.2 3,-0.7 1,-0.3 4,-0.4 0.933 110.8 45.4 -56.0 -48.0 -57.6 151.8 -1.0 52 52 A W H ><>S+ 0 0 13 -4,-2.8 5,-2.0 1,-0.2 3,-0.9 0.844 106.1 64.6 -63.7 -32.3 -56.7 148.3 0.2 53 53 A A H 3<5S+ 0 0 38 -4,-2.0 -1,-0.2 1,-0.2 3,-0.2 0.800 102.8 44.3 -62.6 -32.5 -60.0 147.1 -1.3 54 54 A N T <<5S+ 0 0 122 -4,-1.4 -1,-0.2 -3,-0.7 -2,-0.2 0.430 106.7 56.7 -97.1 4.6 -59.1 147.8 -5.0 55 55 A E T < 5S- 0 0 119 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.377 113.3-119.3-104.3 -4.4 -55.5 146.4 -4.9 56 56 A G T 5S+ 0 0 65 -4,-0.4 -3,-0.2 -3,-0.2 -2,-0.1 0.803 74.9 131.8 71.2 31.7 -57.2 143.2 -3.8 57 57 A M S - 0 0 72 -2,-0.2 3,-1.7 1,-0.1 4,-0.2 -0.947 7.6-153.8-112.4 114.4 -72.3 139.1 11.1 67 67 A E G > S+ 0 0 103 -2,-0.6 3,-1.0 1,-0.3 -1,-0.1 0.762 91.5 61.6 -56.2 -29.6 -71.5 136.2 13.4 68 68 A T G > S+ 0 0 75 1,-0.2 3,-1.5 2,-0.2 -1,-0.3 0.620 80.8 78.3 -77.1 -14.0 -70.9 133.9 10.5 69 69 A L G < S+ 0 0 41 -3,-1.7 3,-0.4 1,-0.3 -1,-0.2 0.666 91.2 59.8 -68.8 -9.0 -68.0 135.9 9.0 70 70 A L G X S+ 0 0 0 -3,-1.0 3,-1.4 -4,-0.2 -1,-0.3 0.550 76.0 95.8 -90.4 -11.8 -66.0 134.2 11.8 71 71 A D T < S+ 0 0 80 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.558 93.2 32.1 -60.2 -11.4 -66.7 130.6 10.6 72 72 A S T 3 S+ 0 0 53 -3,-0.4 -58,-0.5 -4,-0.1 -1,-0.3 0.341 98.4 115.9-125.0 3.9 -63.5 130.2 8.6 73 73 A C < - 0 0 2 -3,-1.4 -58,-0.2 1,-0.1 3,-0.1 -0.350 46.1-169.1 -85.8 156.5 -61.2 132.4 10.7 74 74 A W S S+ 0 0 16 -60,-2.5 25,-0.6 1,-0.3 2,-0.3 0.574 83.4 26.9-108.7 -22.3 -58.1 131.8 12.8 75 75 A L E -fh 15 99C 0 -61,-0.6 -59,-2.8 23,-0.1 2,-0.4 -0.997 61.1-165.6-146.2 140.8 -58.1 135.2 14.4 76 76 A A E -fh 16 100C 0 23,-1.9 25,-2.1 -2,-0.3 2,-0.4 -0.987 4.4-170.2-128.4 134.8 -60.7 137.8 15.3 77 77 A I E -fh 17 101C 0 -61,-2.8 -59,-2.5 -2,-0.4 2,-0.6 -0.995 9.8-153.1-127.6 128.3 -60.1 141.4 16.3 78 78 A A E +fh 18 102C 0 23,-3.2 25,-2.0 -2,-0.4 26,-0.3 -0.901 28.4 153.9-104.3 115.6 -62.7 143.7 17.6 79 79 A A + 0 0 12 -61,-2.9 -58,-0.5 -2,-0.6 -55,-0.4 -0.251 24.9 128.6-136.0 48.2 -62.1 147.4 17.0 80 80 A T - 0 0 28 2,-0.2 -61,-0.1 -61,-0.2 -2,-0.0 -0.467 64.7-122.8 -94.3 174.3 -65.5 149.1 16.9 81 81 A D S S+ 0 0 163 -2,-0.2 2,-0.7 1,-0.1 3,-0.1 0.287 92.2 88.8 -96.7 6.2 -66.4 152.2 18.9 82 82 A D >> - 0 0 67 1,-0.1 4,-1.9 2,-0.0 3,-0.8 -0.895 62.1-162.5-110.7 104.0 -69.3 150.2 20.5 83 83 A D H 3> S+ 0 0 106 -2,-0.7 4,-1.2 1,-0.2 -1,-0.1 0.806 93.0 56.2 -54.5 -28.3 -68.3 148.3 23.6 84 84 A T H 3> S+ 0 0 83 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.860 106.3 47.0 -74.2 -35.4 -71.5 146.2 23.1 85 85 A V H <> S+ 0 0 22 -3,-0.8 4,-1.8 1,-0.2 -2,-0.2 0.834 106.1 60.0 -74.4 -33.8 -70.6 145.1 19.5 86 86 A N H X S+ 0 0 3 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.900 107.0 44.5 -63.1 -40.4 -67.0 144.2 20.5 87 87 A Q H X S+ 0 0 125 -4,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.808 107.9 56.9 -77.0 -24.0 -68.2 141.6 23.1 88 88 A R H X S+ 0 0 125 -4,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.868 110.8 48.2 -66.9 -34.4 -70.8 140.2 20.7 89 89 A V H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.958 112.2 45.6 -69.4 -50.4 -67.7 139.7 18.5 90 90 A S H X S+ 0 0 13 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.762 111.8 52.7 -66.3 -23.6 -65.6 138.1 21.3 91 91 A D H X S+ 0 0 96 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.824 110.5 47.5 -78.5 -31.6 -68.6 135.8 22.3 92 92 A A H < S+ 0 0 0 -4,-1.5 4,-0.5 -3,-0.2 -2,-0.2 0.865 114.3 47.6 -73.3 -36.0 -68.9 134.6 18.8 93 93 A A H ><>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 3,-0.8 0.922 111.8 49.7 -68.5 -45.3 -65.1 134.1 18.6 94 94 A E H ><5S+ 0 0 84 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.847 104.2 57.1 -62.6 -39.9 -65.0 132.2 21.9 95 95 A S T 3<5S+ 0 0 78 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.699 113.2 42.5 -68.0 -16.8 -67.9 129.9 21.0 96 96 A R T < 5S- 0 0 55 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.298 114.6-116.2-109.9 7.4 -65.8 128.8 18.0 97 97 A R T < 5 + 0 0 107 -3,-1.3 2,-0.5 1,-0.2 -3,-0.2 0.926 63.1 150.1 56.3 48.3 -62.5 128.6 19.9 98 98 A I < - 0 0 10 -5,-2.6 -1,-0.2 -8,-0.1 12,-0.2 -0.955 52.6-116.5-111.9 121.3 -61.0 131.4 17.9 99 99 A F E -h 75 0C 4 -25,-0.6 -23,-1.9 -2,-0.5 2,-0.3 -0.356 43.7-173.7 -56.5 134.4 -58.4 133.6 19.6 100 100 A C E -h 76 0C 1 -25,-0.2 11,-2.0 -10,-0.1 10,-1.5 -0.983 19.8-157.8-138.1 145.8 -59.8 137.1 19.8 101 101 A N E -h 77 0C 7 -25,-2.1 -23,-3.2 -2,-0.3 2,-0.6 -0.978 5.9-158.8-125.6 135.5 -58.6 140.5 20.9 102 102 A V E > -h 78 0C 6 3,-0.5 3,-1.8 -2,-0.4 6,-0.2 -0.959 19.5-146.2-109.6 110.2 -60.8 143.5 21.9 103 103 A V T 3 S+ 0 0 42 -25,-2.0 -1,-0.1 -2,-0.6 -24,-0.1 0.790 92.1 33.3 -47.3 -46.6 -58.5 146.6 21.4 104 104 A D T 3 S+ 0 0 98 -26,-0.3 -1,-0.3 1,-0.2 -25,-0.1 0.200 117.0 59.2-100.0 18.0 -59.7 148.8 24.2 105 105 A A X + 0 0 32 -3,-1.8 3,-0.9 3,-0.1 -3,-0.5 -0.643 55.6 163.7-144.4 78.4 -60.5 146.0 26.6 106 106 A P T 3 S+ 0 0 47 0, 0.0 -1,-0.1 0, 0.0 25,-0.1 0.722 75.1 61.2 -69.8 -25.4 -57.2 143.9 27.2 107 107 A K T 3 S+ 0 0 201 23,-0.1 2,-0.2 -5,-0.0 23,-0.1 0.594 101.6 74.9 -77.4 -10.1 -58.5 142.1 30.2 108 108 A A S < S+ 0 0 43 -3,-0.9 -6,-0.4 -6,-0.2 3,-0.3 -0.502 86.4 8.3-102.2 169.9 -61.2 140.7 28.0 109 109 A A S S- 0 0 28 1,-0.2 -8,-0.2 -2,-0.2 -10,-0.1 -0.171 96.8 -65.7 60.9-154.2 -61.4 138.0 25.3 110 110 A S S S+ 0 0 2 -10,-1.5 345,-3.1 1,-0.2 2,-0.3 0.542 99.0 30.8-115.5 -8.5 -58.4 135.7 24.6 111 111 A F E -C 454 0A 2 -11,-2.0 2,-0.4 -3,-0.3 -9,-0.2 -0.995 53.2-145.9-153.6 148.3 -55.3 137.5 23.3 112 112 A I E -C 453 0A 5 341,-2.3 341,-2.3 -2,-0.3 -9,-0.1 -0.914 23.0-126.4-113.4 140.0 -53.5 140.8 23.4 113 113 A M - 0 0 28 -2,-0.4 339,-0.1 339,-0.2 2,-0.1 -0.738 31.0-148.3 -83.4 118.3 -51.6 142.3 20.5 114 114 A P - 0 0 7 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.389 23.9 -95.3 -84.5 166.3 -48.0 143.2 21.8 115 115 A S E -I 126 0D 36 11,-2.5 11,-2.2 -2,-0.1 2,-0.4 -0.616 48.1-141.3 -76.5 142.2 -45.8 146.0 20.6 116 116 A I E -I 125 0D 24 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.876 19.5-161.9-115.9 142.8 -43.5 144.7 17.9 117 117 A I E -I 124 0D 1 7,-2.6 7,-2.0 -2,-0.4 2,-0.5 -0.968 25.2-147.7-120.3 109.6 -39.9 145.4 17.0 118 118 A D E +I 123 0D 61 -2,-0.6 5,-0.2 5,-0.2 34,-0.1 -0.713 43.5 140.7 -89.4 121.1 -39.2 144.3 13.4 119 119 A R E > -I 122 0D 15 3,-1.9 3,-2.1 -2,-0.5 -1,-0.1 -0.277 58.9-121.9-146.3 44.1 -35.9 142.9 12.2 120 120 A S T 3 S+ 0 0 44 1,-0.4 36,-0.2 35,-0.0 35,-0.1 0.032 94.6 20.0 -37.8 136.1 -37.3 140.2 9.9 121 121 A P T 3 S+ 0 0 16 0, 0.0 -1,-0.4 0, 0.0 2,-0.3 -0.996 126.7 64.2 -75.0 -5.6 -36.8 137.4 10.0 122 122 A L E < -I 119 0D 0 -3,-2.1 -3,-1.9 453,-0.1 2,-0.4 -0.578 69.6-179.5 -77.3 132.1 -35.8 138.2 13.6 123 123 A M E -IJ 118 573D 2 450,-2.9 450,-2.4 -2,-0.3 2,-0.4 -0.993 18.3-166.0-141.5 140.8 -38.6 139.6 15.8 124 124 A V E -IJ 117 572D 1 -7,-2.0 -7,-2.6 -2,-0.4 2,-0.4 -0.970 8.3-167.7-123.7 135.8 -39.2 140.8 19.3 125 125 A A E -IJ 116 571D 0 446,-2.6 446,-2.3 -2,-0.4 2,-0.4 -0.961 2.3-170.9-124.1 140.7 -42.5 141.3 21.0 126 126 A V E +IJ 115 570D 0 -11,-2.2 -11,-2.5 -2,-0.4 2,-0.3 -0.994 11.0 161.4-135.3 138.0 -43.3 143.1 24.3 127 127 A S E - 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0 0 5 -5,-2.1 4,-2.3 1,-0.2 3,-0.5 -0.740 16.6-177.0-102.6 77.0 -42.5 145.0 53.2 643 197 B E H 3> S+ 0 0 156 -2,-1.0 4,-1.6 1,-0.2 -1,-0.2 0.802 76.5 50.5 -50.1 -38.2 -45.6 147.1 53.5 644 198 B K H 3> S+ 0 0 167 2,-0.2 4,-3.6 1,-0.2 -1,-0.2 0.907 113.8 43.6 -70.4 -39.2 -43.9 150.0 55.4 645 199 B A H <> S+ 0 0 21 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.820 111.4 55.4 -72.8 -31.7 -41.0 150.3 53.0 646 200 B V H X S+ 0 0 11 -4,-2.3 4,-0.9 2,-0.2 -1,-0.2 0.863 116.2 38.1 -66.6 -37.5 -43.5 150.0 50.0 647 201 B N H X S+ 0 0 92 -4,-1.6 4,-2.8 -5,-0.3 5,-0.3 0.925 115.9 51.6 -77.0 -49.0 -45.4 152.9 51.5 648 202 B A H X S+ 0 0 64 -4,-3.6 4,-1.2 1,-0.2 -2,-0.2 0.839 117.1 40.6 -56.2 -36.6 -42.2 154.8 52.6 649 203 B T H < S+ 0 0 16 -4,-2.5 4,-0.5 2,-0.2 -1,-0.2 0.717 112.1 56.1 -85.9 -23.5 -40.9 154.4 49.1 650 204 B T H X S+ 0 0 5 -4,-0.9 4,-0.9 -5,-0.2 3,-0.4 0.914 110.0 44.7 -73.4 -44.5 -44.2 155.1 47.4 651 205 B E H >X S+ 0 0 87 -4,-2.8 4,-3.9 1,-0.2 3,-0.6 0.869 106.2 58.0 -68.3 -38.5 -44.6 158.4 49.1 652 206 B R H 3X S+ 0 0 69 -4,-1.2 4,-0.9 -5,-0.3 -1,-0.2 0.750 103.1 58.8 -64.2 -17.4 -41.0 159.5 48.5 653 207 B L H 34 S+ 0 0 5 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.836 117.2 28.8 -77.7 -33.6 -42.0 159.0 44.9 654 208 B F H << S+ 0 0 15 -4,-0.9 -2,-0.2 -3,-0.6 -3,-0.1 0.742 119.3 58.7 -94.7 -26.2 -44.8 161.6 45.1 655 209 B S H < S+ 0 0 95 -4,-3.9 -3,-0.2 -5,-0.1 -2,-0.2 0.620 94.6 70.2 -79.6 -16.2 -43.1 163.6 47.8 656 210 B E S < S- 0 0 29 -4,-0.9 4,-0.0 -5,-0.2 83,-0.0 -0.642 99.2 -80.9-102.1 160.4 -39.9 164.6 46.0 657 211 B P > - 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