==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-NOV-11 3UQY . COMPND 2 MOLECULE: HYDROGENASE-1 SMALL CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.VOLBEDA,J.C.FONTECILLA-CAMPS,C.DARNAULT . 1692 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47465.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1155 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 180 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 0.8 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 . 4 0.2 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 . 84 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 234 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 491 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 38 2.2 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 5 6 6 6 0 2 1 7 0 2 6 0 2 0 0 0 2 2 0 0 0 2 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 8 0 0 2 6 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 . 29 4 4 4 2 0 4 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 8 6 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 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 4 S K 0 0 217 0, 0.0 440,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 -58.1 2.0 -29.6 -7.8 2 5 S P - 0 0 106 0, 0.0 2,-0.3 0, 0.0 36,-0.0 -0.358 360.0-128.8 -63.3 150.4 1.2 -28.8 -11.5 3 6 S R - 0 0 34 34,-0.1 34,-0.2 1,-0.1 33,-0.1 -0.700 29.6 -92.0 -99.7 152.5 -1.1 -25.8 -12.1 4 7 S I E -a 37 0A 63 32,-0.6 34,-2.9 -2,-0.3 2,-0.1 -0.445 44.6-117.8 -67.3 127.1 -4.2 -25.9 -14.3 5 8 S P E -a 38 0A 11 0, 0.0 64,-2.4 0, 0.0 2,-0.4 -0.441 31.8-169.8 -68.6 137.2 -3.4 -24.8 -17.9 6 9 S V E -ab 39 69A 13 32,-2.7 34,-2.2 62,-0.2 35,-0.9 -0.997 11.8-164.2-129.8 128.8 -5.2 -21.7 -19.1 7 10 S V E -ab 41 70A 0 62,-2.7 64,-3.1 -2,-0.4 2,-0.6 -0.972 9.6-165.7-110.0 123.4 -5.3 -20.4 -22.6 8 11 S W E -ab 42 71A 5 33,-2.7 35,-0.6 -2,-0.5 2,-0.2 -0.937 10.3-175.2-115.9 110.5 -6.4 -16.7 -22.8 9 12 S I E - b 0 72A 5 62,-2.6 64,-2.4 -2,-0.6 2,-0.4 -0.703 13.2-143.9-109.0 163.1 -7.4 -15.5 -26.3 10 13 S H E + b 0 73A 3 -2,-0.2 64,-0.2 62,-0.2 3,-0.1 -0.983 20.1 167.7-132.6 119.3 -8.4 -12.1 -27.6 11 14 S G - 0 0 0 62,-2.6 2,-0.4 -2,-0.4 63,-0.1 0.128 68.6 -23.4 -97.4-142.5 -11.0 -11.2 -30.3 12 15 S L B S+E 75 0B 0 63,-2.9 63,-1.4 73,-0.1 -1,-0.3 -0.643 94.8 132.4 -68.1 125.9 -12.4 -7.8 -31.1 13 16 S E - 0 0 4 -2,-0.4 -3,-0.0 61,-0.2 60,-0.0 -0.934 65.2-131.3-162.5 170.1 -11.8 -6.1 -27.7 14 17 S C - 0 0 6 -2,-0.3 328,-3.0 327,-0.1 329,-0.6 0.421 51.8-118.7-113.6 -6.1 -10.5 -3.0 -26.0 15 18 S T S > S+ 0 0 0 326,-0.2 4,-2.2 327,-0.2 5,-0.2 0.518 75.2 129.7 80.2 10.4 -8.5 -5.0 -23.5 16 19 S C H > + 0 0 8 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.791 69.3 56.2 -63.2 -25.7 -10.4 -3.7 -20.5 17 20 S C H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.912 107.7 45.4 -76.5 -41.9 -11.0 -7.2 -19.2 18 21 S T H > S+ 0 0 3 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.921 114.6 50.9 -60.4 -42.6 -7.2 -8.1 -19.1 19 22 S E H X S+ 0 0 8 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.920 109.5 49.1 -63.8 -42.5 -6.7 -4.7 -17.4 20 23 S S H >< S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.2 4,-0.4 0.941 107.3 56.5 -62.0 -45.0 -9.4 -5.4 -14.8 21 24 S F H >< S+ 0 0 1 -4,-2.5 3,-1.7 1,-0.3 -1,-0.2 0.908 104.6 51.4 -51.8 -46.8 -7.8 -8.9 -14.1 22 25 S I H 3< S+ 0 0 6 -4,-2.0 7,-0.3 1,-0.3 -1,-0.3 0.642 98.2 67.6 -73.4 -9.8 -4.4 -7.3 -13.3 23 26 S R T << S+ 0 0 6 -3,-1.5 -1,-0.3 -4,-0.7 -2,-0.2 0.573 71.2 134.7 -76.8 -9.9 -6.1 -4.9 -10.8 24 27 S S < > - 0 0 1 -3,-1.7 5,-0.7 -4,-0.4 455,-0.1 -0.121 37.4-169.2 -49.8 134.0 -7.0 -7.8 -8.5 25 28 S A B 5 +F 28 0C 9 1,-0.3 3,-0.4 3,-0.2 -1,-0.1 0.698 69.5 51.5 -94.2 -27.2 -6.2 -7.0 -4.9 26 29 S H T 5S+ 0 0 2 1,-0.7 -1,-0.3 1349,-0.0 1346,-0.2 -0.757 121.9 17.1-163.2 104.8 -6.7 -10.5 -3.4 27 30 S P T 5S- 0 0 20 0, 0.0 -1,-0.7 0, 0.0 1345,-0.1 0.604 101.0-128.5 -70.4 150.9 -5.2 -12.7 -4.7 28 31 S L B >>5 -F 25 0C 31 -3,-0.4 4,-2.2 1,-0.1 3,-0.7 -0.384 18.0-119.7 -57.3 144.7 -2.8 -10.4 -6.5 29 32 S A H 3> S+ 0 0 27 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.901 106.6 43.0 -49.6 -48.0 1.0 -11.9 -9.7 31 34 S D H <>>S+ 0 0 61 -3,-0.7 4,-2.3 2,-0.2 5,-1.0 0.823 109.9 56.0 -74.7 -31.8 0.0 -14.7 -7.3 32 35 S V H X>S+ 0 0 0 -4,-2.2 5,-2.3 3,-0.2 4,-1.3 0.955 114.7 40.1 -58.7 -49.3 -2.7 -16.0 -9.6 33 36 S I H <5S+ 0 0 13 -4,-2.5 6,-0.4 3,-0.2 -2,-0.2 0.873 122.4 39.6 -69.9 -40.7 -0.2 -16.4 -12.4 34 37 S L H <5S+ 0 0 24 -4,-2.3 -1,-0.2 -5,-0.2 -3,-0.2 0.847 135.0 10.9 -79.8 -32.8 2.7 -17.7 -10.3 35 38 S S H <5S+ 0 0 79 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.672 123.7 44.0-122.8 -24.7 0.8 -20.0 -8.0 36 39 S L T <> -a 8 0A 0 -2,-0.3 4,-2.2 -35,-0.2 3,-1.2 -0.622 34.2-149.5-171.8 105.4 -2.1 -14.6 -23.5 43 46 S D T 34 S+ 0 0 14 -35,-0.6 248,-3.0 1,-0.3 249,-0.3 0.813 94.8 53.5 -49.4 -40.9 -1.3 -12.1 -26.3 44 47 S T T 34 S+ 0 0 8 246,-0.2 -1,-0.3 1,-0.2 246,-0.0 0.803 123.3 21.5 -70.3 -29.2 -1.1 -9.1 -24.0 45 48 S L T <4 S+ 0 0 9 -3,-1.2 -2,-0.2 246,-0.1 -1,-0.2 0.606 91.9 109.9-116.8 -16.2 1.4 -10.5 -21.6 46 49 S M < - 0 0 4 -4,-2.2 401,-0.2 1,-0.1 400,-0.1 -0.305 58.5-139.5 -77.6 148.6 3.4 -13.3 -23.2 47 50 S A S S+ 0 0 1 399,-3.0 243,-0.1 401,-0.1 400,-0.1 0.924 79.7 79.7 -66.7 -45.7 7.1 -13.2 -24.2 48 51 S A - 0 0 0 400,-0.5 2,-0.3 398,-0.3 402,-0.1 -0.340 58.4-176.8 -72.0 143.9 6.7 -15.0 -27.5 49 52 S A >> - 0 0 0 240,-0.1 3,-1.5 241,-0.1 4,-1.1 -0.836 47.8 -9.5-126.9 167.1 5.4 -13.3 -30.7 50 53 S G H 3> S+ 0 0 0 238,-3.2 4,-2.5 -2,-0.3 3,-0.2 -0.106 131.9 3.0 54.7-130.4 4.6 -14.4 -34.2 51 54 S T H 3> S+ 0 0 57 234,-0.4 4,-2.0 1,-0.2 -1,-0.3 0.824 134.7 54.7 -61.3 -33.0 5.7 -18.0 -35.1 52 55 S Q H <> S+ 0 0 14 -3,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.896 109.6 46.9 -68.3 -39.1 7.0 -18.5 -31.5 53 56 S A H X S+ 0 0 0 -4,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.905 110.5 52.6 -66.9 -41.3 3.5 -17.5 -30.2 54 57 S E H X S+ 0 0 75 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.892 107.5 53.0 -57.1 -41.3 1.8 -19.8 -32.7 55 58 S E H X S+ 0 0 93 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.897 109.2 48.2 -62.8 -42.5 4.1 -22.7 -31.5 56 59 S V H X S+ 0 0 7 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.946 111.8 49.9 -61.5 -50.0 3.1 -22.1 -27.9 57 60 S F H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.951 114.8 43.0 -54.1 -52.9 -0.6 -22.1 -28.9 58 61 S E H X S+ 0 0 90 -4,-2.7 4,-1.7 1,-0.2 5,-0.2 0.902 114.5 50.8 -62.2 -44.2 -0.4 -25.3 -30.9 59 62 S D H X S+ 0 0 98 -4,-2.6 4,-3.0 -5,-0.2 5,-0.3 0.923 112.7 45.0 -61.0 -45.7 1.8 -27.0 -28.2 60 63 S I H X S+ 0 0 1 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.931 113.1 47.7 -67.6 -47.1 -0.5 -26.2 -25.3 61 64 S I H < S+ 0 0 14 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.821 119.1 42.2 -68.5 -26.9 -3.8 -27.1 -27.0 62 65 S T H >< S+ 0 0 88 -4,-1.7 3,-1.4 -5,-0.2 -2,-0.2 0.955 117.2 43.5 -77.1 -56.5 -2.3 -30.4 -28.2 63 66 S Q H 3< S+ 0 0 125 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.864 126.2 33.7 -57.6 -40.3 -0.4 -31.4 -25.0 64 67 S Y T >X S+ 0 0 45 -4,-2.4 3,-3.1 -5,-0.3 4,-0.8 0.080 81.5 160.1-107.3 21.6 -3.3 -30.4 -22.7 65 68 S N T <4 S+ 0 0 103 -3,-1.4 38,-0.1 1,-0.3 -3,-0.1 -0.205 75.4 9.8 -46.5 125.1 -6.2 -31.4 -25.0 66 69 S G T 34 S+ 0 0 40 36,-2.7 -1,-0.3 -5,-0.1 37,-0.1 0.287 122.8 71.9 86.1 -6.7 -9.3 -31.8 -22.9 67 70 S K T <4 S+ 0 0 151 -3,-3.1 2,-0.3 35,-0.2 -2,-0.2 0.464 72.9 85.6-124.3 -6.2 -7.6 -30.4 -19.8 68 71 S Y E < - c 0 103A 0 -4,-0.8 36,-2.8 34,-0.6 37,-0.6 -0.685 67.8-127.0 -99.8 156.1 -7.1 -26.6 -20.2 69 72 S I E -bc 6 105A 26 -64,-2.4 -62,-2.7 -2,-0.3 2,-0.6 -0.845 20.5-143.6 -92.9 133.3 -9.5 -23.8 -19.5 70 73 S L E -bc 7 106A 0 35,-2.5 37,-2.8 -2,-0.5 2,-0.5 -0.899 12.1-165.2 -98.7 119.9 -10.1 -21.4 -22.3 71 74 S A E -bc 8 107A 3 -64,-3.1 -62,-2.6 -2,-0.6 2,-0.5 -0.892 8.3-161.5 -98.3 132.4 -10.5 -17.7 -21.3 72 75 S V E -bc 9 108A 0 35,-2.9 37,-2.2 -2,-0.5 2,-0.4 -0.977 11.7-177.0-122.1 125.5 -12.0 -15.5 -24.0 73 76 S E E +b 10 0A 3 -64,-2.4 -62,-2.6 -2,-0.5 37,-0.1 -0.939 62.2 1.8-112.3 140.6 -11.8 -11.7 -24.1 74 77 S G S S- 0 0 1 35,-0.5 -61,-0.2 -2,-0.4 57,-0.2 -0.302 83.8 -99.3 75.4-167.2 -13.5 -9.9 -26.9 75 78 S N B -E 12 0B 0 -63,-1.4 -63,-2.9 55,-0.1 38,-0.1 -0.968 23.7 -96.7-151.9 161.4 -15.6 -11.6 -29.6 76 79 S P - 0 0 0 0, 0.0 53,-2.4 0, 0.0 2,-0.4 -0.668 28.9-141.1 -84.5 137.9 -15.5 -12.8 -33.2 77 80 S P B -G 128 0D 1 0, 0.0 51,-0.3 0, 0.0 16,-0.2 -0.816 6.2-162.5 -91.6 135.7 -16.9 -10.7 -36.1 78 81 S L > + 0 0 81 49,-2.1 3,-0.5 -2,-0.4 4,-0.3 0.616 59.2 102.8 -90.1 -13.1 -18.8 -12.6 -38.8 79 82 S G G > >S+ 0 0 2 47,-2.5 3,-1.9 1,-0.2 5,-0.8 -0.256 80.9 17.3 -68.8 157.3 -18.5 -9.7 -41.3 80 83 S E G > 5S- 0 0 71 1,-0.3 3,-2.4 2,-0.2 -1,-0.2 0.879 135.5 -60.3 48.4 46.9 -16.1 -9.8 -44.2 81 84 S Q G < 5S- 0 0 133 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.2 0.752 98.6 -59.3 52.2 30.9 -15.6 -13.6 -43.8 82 85 S G G X 5S+ 0 0 3 -3,-1.9 3,-1.6 -4,-0.3 10,-0.7 0.423 107.4 125.1 85.9 -1.6 -14.3 -12.9 -40.3 83 86 S M T < 5 + 0 0 0 -3,-2.4 3,-0.2 1,-0.3 -3,-0.1 0.365 47.1 86.7 -83.4 7.7 -11.4 -10.7 -41.5 84 87 S F T 3 S-I 90 0F 6 3,-3.2 3,-1.7 -2,-0.4 8,-0.1 -0.987 76.8 -12.4-135.1 123.6 -4.8 -13.7 -36.4 88 91 S S T 3 S- 0 0 15 -2,-0.4 -1,-0.1 1,-0.3 199,-0.1 0.895 128.9 -56.9 50.4 45.1 -1.8 -15.3 -38.1 89 92 S G T 3 S+ 0 0 0 1,-0.2 562,-3.0 561,-0.1 -1,-0.3 0.420 122.9 89.7 76.0 1.6 -3.3 -14.2 -41.4 90 93 S R E < S-I 87 0F 104 -3,-1.7 -3,-3.2 560,-0.2 -1,-0.2 -0.794 89.7 -73.0-129.2 161.4 -6.6 -16.0 -40.8 91 94 S P E >> -I 86 0F 4 0, 0.0 3,-1.5 0, 0.0 4,-0.8 -0.328 36.1-131.5 -56.8 136.0 -10.0 -15.2 -39.3 92 95 S F H >> S+ 0 0 4 -7,-3.0 4,-2.4 -10,-0.7 3,-0.8 0.862 104.5 70.0 -50.6 -39.8 -9.9 -15.0 -35.5 93 96 S I H 3> S+ 0 0 27 -8,-0.3 4,-2.5 1,-0.3 -1,-0.3 0.829 92.7 57.8 -53.4 -32.0 -13.0 -17.2 -35.4 94 97 S E H <> S+ 0 0 81 -3,-1.5 4,-2.1 2,-0.2 -1,-0.3 0.903 108.0 45.4 -65.3 -39.9 -10.8 -20.1 -36.6 95 98 S K H < S+ 0 0 2 -4,-2.7 3,-1.0 -5,-0.2 -1,-0.2 0.885 100.5 64.3 -66.5 -36.4 -12.6 -24.1 -27.8 101 104 S A H 3< S+ 0 0 67 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.838 109.9 36.5 -59.2 -35.8 -12.5 -27.7 -29.2 102 105 S G H 3< S+ 0 0 3 -4,-1.0 -36,-2.7 -3,-0.4 -34,-0.6 0.477 95.2 107.8 -94.7 -4.2 -9.8 -28.8 -26.7 103 106 S A E << -c 68 0A 0 -3,-1.0 -34,-0.2 -4,-0.6 3,-0.1 -0.464 58.4-152.2 -76.0 145.5 -11.0 -26.8 -23.7 104 107 S S E S- 0 0 53 -36,-2.8 2,-0.3 1,-0.3 -35,-0.2 0.786 84.6 -8.2 -78.8 -31.8 -12.7 -28.4 -20.7 105 108 S A E -c 69 0A 3 -37,-0.6 -35,-2.5 33,-0.1 2,-0.4 -0.966 68.4-131.6-158.6 160.7 -14.7 -25.2 -20.1 106 109 S I E -cd 70 140A 0 33,-2.7 35,-2.8 -2,-0.3 2,-0.6 -0.968 4.7-154.1-123.2 133.7 -14.7 -21.6 -21.3 107 110 S I E -cd 71 141A 4 -37,-2.8 -35,-2.9 -2,-0.4 2,-1.0 -0.945 9.6-156.1-103.3 119.1 -14.8 -18.4 -19.4 108 111 S A E -cd 72 142A 1 33,-3.0 35,-2.6 -2,-0.6 2,-0.3 -0.804 17.6-155.0 -93.5 96.1 -16.4 -15.6 -21.4 109 112 S W E > - d 0 143A 4 -37,-2.2 4,-1.3 -2,-1.0 -35,-0.5 -0.541 47.4 -12.0 -75.4 133.1 -14.8 -12.5 -19.7 110 113 S G H > S- 0 0 0 33,-2.5 4,-2.3 -2,-0.3 33,-0.2 0.196 93.6 -62.9 79.1 167.6 -16.7 -9.3 -19.9 111 114 S T H >>S+ 0 0 2 34,-2.1 4,-2.8 1,-0.2 5,-2.6 0.827 127.8 62.6 -62.9 -30.0 -19.7 -8.0 -21.8 112 115 S C H 45S+ 0 0 16 33,-0.3 -1,-0.2 3,-0.2 -2,-0.2 0.975 112.5 32.1 -57.6 -57.5 -17.8 -8.5 -25.1 113 116 S A H <5S+ 0 0 1 -4,-1.3 18,-1.8 1,-0.2 19,-0.5 0.849 126.0 45.2 -73.2 -31.0 -17.4 -12.2 -24.8 114 117 S S H <5S- 0 0 0 -4,-2.3 18,-0.2 -5,-0.2 -2,-0.2 0.880 138.2 -8.9 -75.4 -43.5 -20.7 -12.6 -23.0 115 118 S W T <5S- 0 0 31 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.1 0.644 96.1 -92.0-133.3 -36.1 -23.0 -10.5 -25.1 116 119 S G >< - 0 0 0 -5,-2.6 4,-0.5 13,-0.2 3,-0.4 -0.122 50.2-163.3 140.6 -44.8 -21.3 -8.3 -27.7 117 120 S C H >> - 0 0 11 -6,-0.4 3,-1.5 1,-0.2 4,-0.5 -0.108 57.5 -15.9 56.1-150.6 -20.6 -5.0 -26.0 118 121 S V H >4 S+ 0 0 2 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.850 133.5 52.7 -63.1 -39.0 -19.7 -1.8 -27.8 119 122 S Q H 34 S+ 0 0 1 -3,-0.4 7,-0.4 1,-0.3 9,-0.4 0.759 108.8 53.3 -67.3 -22.6 -18.8 -3.2 -31.2 120 123 S A H << S+ 0 0 27 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.502 85.7 109.7 -88.0 -4.7 -22.2 -5.0 -31.3 121 124 S A S X< S- 0 0 2 -3,-1.5 3,-2.8 -4,-0.5 133,-0.0 -0.339 81.2 -29.4 -68.6 154.9 -24.1 -1.8 -30.6 122 125 S R T 3 S+ 0 0 186 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 -0.141 136.0 13.1 -49.7 132.6 -26.2 -0.5 -33.4 123 126 S P T 3 S- 0 0 79 0, 0.0 -1,-0.3 0, 0.0 4,-0.1 -0.902 83.7-151.7 -97.2 21.1 -25.6 -0.8 -36.3 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19.3 -2.6 40.6 1670 557 M M - 0 0 0 -516,-2.6 -520,-0.0 -2,-0.3 -2,-0.0 -0.969 10.2-160.5-113.3 129.8 18.6 1.0 39.3 1671 558 M A S S+ 0 0 45 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.891 90.8 17.1 -70.2 -40.6 21.4 3.0 37.7 1672 559 M I S > S- 0 0 49 3,-0.4 3,-2.3 1,-0.1 -1,-0.3 -0.913 71.6-155.6-137.3 102.2 19.7 6.3 38.3 1673 560 M P T 3 S+ 0 0 14 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.790 92.7 57.1 -53.5 -32.4 16.9 6.2 40.9 1674 561 M E T 3 S+ 0 0 102 1,-0.2 -775,-0.1 2,-0.1 0, 0.0 0.622 101.5 61.7 -75.2 -13.7 15.1 9.3 39.5 1675 562 M Q S < S- 0 0 58 -3,-2.3 2,-1.5 -776,-0.1 3,-0.5 -0.913 73.3-158.4-118.7 102.7 14.8 7.7 36.1 1676 563 M P > + 0 0 8 0, 0.0 4,-2.7 0, 0.0 5,-0.2 -0.038 45.2 132.7 -79.2 40.5 12.7 4.5 36.3 1677 564 M L H > S+ 0 0 0 -2,-1.5 4,-2.7 -5,-0.3 5,-0.2 0.891 73.9 48.0 -59.6 -41.6 14.0 2.8 33.1 1678 565 M E H > S+ 0 0 3 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.884 112.6 49.1 -68.1 -35.6 14.5 -0.6 34.8 1679 566 M I H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.934 112.9 47.8 -65.6 -47.1 11.1 -0.5 36.5 1680 567 M L H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.909 108.9 54.6 -60.5 -43.6 9.5 0.4 33.1 1681 568 M R H X S+ 0 0 1 -4,-2.7 4,-1.5 -5,-0.2 -1,-0.2 0.939 113.9 40.2 -56.2 -49.9 11.4 -2.4 31.3 1682 569 M T H X S+ 0 0 0 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.950 117.6 46.4 -68.4 -47.7 10.1 -5.1 33.7 1683 570 M L H >< S+ 0 0 0 -4,-2.9 3,-1.6 1,-0.2 4,-0.3 0.954 113.3 49.4 -60.3 -48.7 6.5 -3.8 34.0 1684 571 M H H >< S+ 0 0 0 -4,-3.1 3,-1.9 1,-0.3 -1,-0.2 0.823 98.5 68.7 -60.9 -28.6 6.2 -3.3 30.2 1685 572 M S H 3< S+ 0 0 0 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.766 99.2 50.5 -63.9 -23.1 7.6 -6.9 29.7 1686 573 M F T << S- 0 0 4 -3,-1.6 -1,-0.3 -4,-0.7 -2,-0.2 0.502 108.5-130.5 -85.3 -11.0 4.3 -8.2 31.2 1687 574 M D < - 0 0 2 -3,-1.9 -3,-0.2 -4,-0.3 -2,-0.1 0.980 27.1-141.7 60.5 62.9 2.3 -5.9 28.8 1688 575 M P - 0 0 1 0, 0.0 -547,-1.8 0, 0.0 2,-0.5 -0.322 21.6-172.5 -63.5 134.4 0.0 -4.4 31.5 1689 576 M C B > +x 1141 0j 0 -549,-0.2 4,-1.9 1,-0.1 -44,-0.2 -0.907 4.9 178.8-125.9 98.7 -3.6 -3.8 30.6 1690 577 M L H > S+ 0 0 0 -549,-2.8 4,-1.5 -2,-0.5 5,-0.3 0.818 77.9 54.6 -79.8 -30.4 -5.1 -1.8 33.5 1691 578 M A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.905 112.7 47.7 -65.2 -40.3 -8.7 -1.4 32.2 1692 579 M C H 4 S+ 0 0 4 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.917 108.4 54.9 -58.0 -47.0 -8.7 -5.2 31.8 1693 580 M S H < S+ 0 0 1 -4,-1.9 -181,-0.4 1,-0.2 -50,-0.2 0.812 123.2 23.6 -60.8 -32.3 -7.3 -5.6 35.3 1694 581 M T H < 0 0 2 -4,-1.5 -526,-0.2 -3,-0.2 -1,-0.2 0.745 360.0 360.0-108.6 -35.6 -10.0 -3.6 37.0 1695 582 M H < 0 0 7 -4,-2.6 -526,-1.8 -5,-0.3 -525,-0.7 0.835 360.0 360.0 41.8 360.0 -13.0 -3.8 34.6