==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-APR-03 1UBK . COMPND 2 MOLECULE: PERIPLASMIC [NIFE] HYDROGENASE SMALL SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS STR. 'MIYAZAKI . AUTHOR H.OGATA,Y.MIZOGUCHI,N.MIZUNO,K.MIKI,S.ADACHI,N.YASUOKA, . 801 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25168.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 565 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 9.9 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.9 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 . 1 0.1 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 . 40 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 114 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 249 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.6 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 4 5 1 1 1 1 2 1 0 3 0 1 0 0 0 1 0 0 0 0 1 0 0 0 1 1 RESIDUES PER ALPHA HELIX . 4 0 2 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 PARALLEL BRIDGES PER LADDER . 13 3 1 1 1 0 1 1 1 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 3 1 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 1 S L 0 0 13 0, 0.0 433,-2.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -16.2 50.9 19.1 78.6 2 2 S M + 0 0 15 430,-0.2 66,-0.2 431,-0.2 430,-0.1 -0.783 360.0 159.7-179.3 136.7 50.7 18.0 75.0 3 3 S G - 0 0 15 1,-0.3 5,-0.2 427,-0.2 428,-0.1 0.098 64.8 -13.9-126.5-113.4 51.0 14.7 73.1 4 4 S P S S+ 0 0 86 0, 0.0 2,-0.5 0, 0.0 -1,-0.3 0.481 109.5 45.1 -72.5-139.4 49.7 14.2 69.6 5 5 S R S S+ 0 0 205 -3,-0.1 36,-0.0 2,-0.1 -3,-0.0 -0.190 100.9 45.1 53.5 -93.3 47.2 16.6 67.8 6 6 S R S S- 0 0 16 -2,-0.5 34,-0.2 424,-0.1 2,-0.1 -0.677 92.1-105.3 -88.4 141.7 48.2 20.3 68.2 7 7 S P - 0 0 42 0, 0.0 34,-3.1 0, 0.0 2,-0.3 -0.404 37.7-118.1 -65.5 136.8 51.9 21.2 67.7 8 8 S S E -a 41 0A 3 61,-0.5 63,-2.9 32,-0.2 2,-0.4 -0.608 26.3-165.6 -79.4 128.9 53.7 22.0 71.0 9 9 S V E -ab 42 71A 8 32,-2.9 34,-2.6 -2,-0.3 35,-0.8 -0.975 6.6-164.2-115.5 130.3 55.1 25.5 71.6 10 10 S V E -ab 44 72A 0 61,-2.6 63,-2.4 -2,-0.4 2,-0.6 -0.977 12.6-162.2-109.0 116.8 57.6 26.2 74.4 11 11 S Y E - b 0 73A 8 33,-2.4 35,-0.4 -2,-0.5 2,-0.3 -0.938 6.6-164.5-109.3 120.7 57.8 29.9 75.0 12 12 S L E - b 0 74A 6 61,-2.6 63,-2.8 -2,-0.6 2,-0.5 -0.810 11.0-152.4-108.5 146.7 60.8 31.2 76.9 13 13 S H E + b 0 75A 6 -2,-0.3 63,-0.2 61,-0.2 3,-0.1 -0.972 25.1 158.8-117.6 115.9 61.5 34.5 78.6 14 14 S N - 0 0 3 61,-3.1 2,-1.0 -2,-0.5 64,-0.2 0.450 69.8 -19.0-100.9-124.5 65.1 35.7 78.9 15 15 S A B S+E 77 0B 0 62,-2.8 62,-1.9 72,-0.1 2,-0.3 -0.819 98.9 131.9 -88.3 102.4 66.1 39.4 79.4 16 16 S E - 0 0 4 -2,-1.0 -3,-0.0 60,-0.2 59,-0.0 -0.918 64.6-135.4-151.6 166.0 62.8 40.9 78.2 17 17 S C - 0 0 17 -2,-0.3 315,-3.0 314,-0.1 316,-0.6 0.394 49.7-117.7-107.6 -4.3 60.2 43.5 79.1 18 18 S T S > S+ 0 0 0 313,-0.2 4,-2.7 314,-0.2 5,-0.2 0.347 84.2 118.3 75.7 4.9 57.2 41.2 78.2 19 19 S G H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.855 73.3 54.0 -64.9 -32.6 56.1 43.5 75.5 20 20 S C H > S+ 0 0 16 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.951 108.5 48.2 -67.4 -43.3 56.7 40.8 72.9 21 21 S S H > S+ 0 0 4 1,-0.2 4,-1.5 2,-0.2 3,-0.2 0.924 111.5 50.9 -57.6 -45.2 54.4 38.5 74.9 22 22 S E H X S+ 0 0 8 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.892 103.4 59.2 -59.4 -38.4 51.8 41.2 75.1 23 23 S S H >< S+ 0 0 1 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.906 102.5 53.0 -59.4 -37.3 52.0 41.7 71.3 24 24 S V H >< S+ 0 0 20 -4,-1.6 3,-2.1 1,-0.3 -1,-0.2 0.885 100.7 60.4 -69.2 -31.2 51.0 38.1 70.8 25 25 S L H 3< S+ 0 0 18 -4,-1.5 7,-0.4 1,-0.3 -1,-0.3 0.733 96.7 62.7 -63.5 -17.2 47.9 38.6 73.0 26 26 S R T << S+ 0 0 6 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.404 74.9 141.5 -87.0 3.4 46.9 41.3 70.4 27 27 S A < > - 0 0 3 -3,-2.1 5,-0.6 -4,-0.1 2,-0.4 -0.104 34.7-161.7 -49.9 136.9 46.6 38.6 67.7 28 28 S F T 5 + 0 0 77 3,-0.2 3,-0.2 1,-0.2 -1,-0.1 -0.983 58.4 17.9-130.3 123.3 43.7 39.3 65.4 29 29 S E T 5S+ 0 0 143 -2,-0.4 -1,-0.2 0, 0.0 2,-0.1 0.937 135.1 39.6 49.1 67.0 41.9 36.8 63.1 30 30 S P T 5S- 0 0 46 0, 0.0 2,-0.1 0, 0.0 128,-0.1 0.294 101.0-159.3 -84.8 147.7 43.1 34.5 64.5 31 31 S Y T >5 - 0 0 38 -3,-0.2 4,-2.3 -2,-0.1 -3,-0.2 -0.338 33.2 -99.8 -79.4 168.7 42.8 35.7 68.0 32 32 S I H > S+ 0 0 24 2,-0.2 4,-2.5 1,-0.2 5,-0.4 0.948 108.7 46.6 -66.2 -45.1 42.1 32.1 72.1 34 34 S T H >>S+ 0 0 37 1,-0.2 4,-2.5 2,-0.2 5,-2.3 0.933 112.4 51.3 -55.5 -44.9 42.0 30.4 68.7 35 35 S L H <>S+ 0 0 9 -4,-2.3 5,-2.2 3,-0.2 -1,-0.2 0.913 115.9 39.0 -60.5 -43.2 45.7 30.1 68.7 36 36 S I H <5S+ 0 0 21 -4,-2.2 6,-0.4 3,-0.2 -1,-0.2 0.746 126.2 34.5 -81.3 -29.0 45.9 28.5 72.2 37 37 S L H <5S+ 0 0 26 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.800 134.6 13.1 -98.2 -30.8 42.9 26.2 71.9 38 38 S D T <5S+ 0 0 76 -4,-2.5 -3,-0.2 -5,-0.4 -4,-0.1 0.750 125.3 39.4-116.0 -46.5 42.9 25.2 68.2 39 39 S T T > - 0 0 17 -2,-0.3 4,-2.4 -35,-0.1 3,-1.0 -0.658 31.9-154.5-168.0 103.0 54.7 30.3 79.0 46 46 S E T 34 S+ 0 0 13 -35,-0.4 236,-2.8 1,-0.2 237,-0.4 0.742 89.3 59.8 -62.9 -23.2 55.6 32.0 82.4 47 47 S T T 34 S+ 0 0 12 234,-0.2 -1,-0.2 235,-0.2 234,-0.0 0.853 123.7 13.0 -72.4 -34.7 53.3 35.0 81.9 48 48 S I T <4 S+ 0 0 20 -3,-1.0 -2,-0.2 234,-0.1 -1,-0.1 0.534 91.7 117.7-123.2 -5.8 50.0 33.0 81.7 49 49 S M < - 0 0 4 -4,-2.4 387,-0.2 1,-0.1 7,-0.1 -0.286 57.0-138.4 -72.0 150.6 50.6 29.4 82.8 50 50 S A S S+ 0 0 3 385,-3.3 390,-0.3 387,-0.0 386,-0.1 0.904 79.3 76.7 -70.6 -44.8 48.8 28.0 85.8 51 51 S A - 0 0 0 386,-0.5 2,-0.3 384,-0.4 388,-0.1 -0.417 60.2-174.1 -71.6 150.9 51.7 26.1 87.4 52 52 S A >> - 0 0 0 386,-0.2 3,-1.3 228,-0.1 4,-0.9 -0.849 47.1 -3.1-131.9 166.6 54.4 27.9 89.3 53 53 S G H 3> S- 0 0 1 226,-3.1 4,-2.5 -2,-0.3 3,-0.5 -0.101 129.3 -0.6 59.5-140.2 57.7 26.9 90.8 54 54 S D H 3> S+ 0 0 122 222,-0.4 4,-2.4 1,-0.3 -1,-0.3 0.853 135.2 55.0 -55.5 -35.8 58.6 23.2 90.7 55 55 S A H <> S+ 0 0 22 -3,-1.3 4,-1.9 2,-0.2 -1,-0.3 0.870 107.9 49.0 -68.6 -35.3 55.4 22.4 88.9 56 56 S A H X S+ 0 0 0 -4,-0.9 4,-2.4 -3,-0.5 -2,-0.2 0.916 110.7 50.2 -67.6 -42.6 56.2 24.9 86.2 57 57 S E H X S+ 0 0 74 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.902 110.3 49.9 -63.4 -37.4 59.7 23.4 85.8 58 58 S A H X S+ 0 0 46 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.890 107.9 53.6 -67.2 -36.3 58.2 19.9 85.5 59 59 S A H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.907 110.1 49.0 -60.5 -42.2 55.8 21.3 82.9 60 60 S L H X S+ 0 0 26 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.958 111.1 48.0 -63.1 -47.5 58.8 22.6 81.0 61 61 S E H X S+ 0 0 123 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.919 110.9 51.6 -58.6 -43.7 60.7 19.3 81.2 62 62 S Q H < S+ 0 0 89 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.920 113.0 45.2 -63.4 -41.1 57.7 17.4 80.0 63 63 S A H >< S+ 0 0 0 -4,-2.1 3,-1.2 -5,-0.2 -1,-0.2 0.932 113.5 48.0 -66.3 -44.3 57.2 19.6 77.0 64 64 S V H 3< S+ 0 0 18 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.847 113.9 46.0 -70.6 -31.1 60.9 19.7 76.0 65 65 S N T 3< S+ 0 0 84 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.293 81.6 131.5 -93.7 12.2 61.3 15.9 76.2 66 66 S S X - 0 0 17 -3,-1.2 3,-1.5 -4,-0.2 -63,-0.1 -0.400 58.4-140.2 -68.3 134.3 58.1 15.0 74.4 67 67 S P T 3 S+ 0 0 129 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.669 100.7 68.1 -67.1 -12.5 58.6 12.5 71.6 68 68 S H T 3 S- 0 0 108 -66,-0.2 -60,-0.1 1,-0.2 -65,-0.1 0.586 105.4-129.7 -78.6 -12.2 56.1 14.6 69.5 69 69 S G < - 0 0 13 -3,-1.5 -61,-0.5 -6,-0.1 2,-0.3 0.020 19.0-128.3 86.0 158.0 58.7 17.4 69.3 70 70 S F - 0 0 4 34,-0.3 36,-3.2 -6,-0.1 37,-0.7 -0.986 3.7-130.7-145.7 159.7 58.2 21.1 70.0 71 71 S I E -bc 9 107A 8 -63,-2.9 -61,-2.6 -2,-0.3 2,-0.5 -0.900 26.2-142.3-101.1 137.2 58.7 24.5 68.5 72 72 S A E -bc 10 108A 0 35,-2.7 37,-2.6 -2,-0.4 2,-0.5 -0.909 12.9-169.5-103.5 133.6 60.5 27.1 70.7 73 73 S V E -bc 11 109A 2 -63,-2.4 -61,-2.6 -2,-0.5 2,-0.5 -0.986 14.9-162.4-116.6 128.0 59.5 30.8 70.7 74 74 S V E -bc 12 110A 0 35,-2.7 37,-2.9 -2,-0.5 2,-0.4 -0.957 10.2-171.2-120.9 126.2 62.1 32.9 72.5 75 75 S E E +bc 13 111A 2 -63,-2.8 -61,-3.1 -2,-0.5 37,-0.1 -0.939 52.6 24.7-112.0 133.1 61.6 36.4 73.9 76 76 S G S S- 0 0 1 35,-0.5 -60,-0.2 -2,-0.4 57,-0.1 0.080 82.6 -79.2 101.5 150.4 64.4 38.4 75.3 77 77 S G B -E 15 0B 0 -62,-1.9 -62,-2.8 41,-0.3 55,-0.2 -0.418 42.9-115.4 -76.8 161.1 68.2 38.6 74.9 78 78 S I E -F 131 0C 0 53,-3.1 53,-2.0 36,-0.2 2,-0.5 -0.889 21.9-138.3-101.3 116.4 70.5 36.2 76.7 79 79 S P E +F 130 0C 0 0, 0.0 16,-0.4 0, 0.0 51,-0.2 -0.635 28.9 170.1 -75.8 120.6 72.8 37.8 79.3 80 80 S T > + 0 0 34 49,-1.7 3,-0.7 -2,-0.5 4,-0.4 0.569 35.4 109.9-108.0 -11.9 76.2 36.2 78.9 81 81 S A G > >S+ 0 0 28 47,-2.5 3,-1.6 1,-0.2 5,-0.6 -0.251 83.7 15.0 -62.3 155.1 78.5 38.4 81.1 82 82 S A G > 5S- 0 0 64 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.895 138.4 -55.5 48.9 44.3 79.8 36.8 84.3 83 83 S N G < 5S- 0 0 143 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.754 98.8 -63.0 65.8 25.3 78.9 33.4 83.3 84 84 S G G X 5S+ 0 0 0 -3,-1.6 3,-1.6 -4,-0.4 10,-0.5 0.421 95.2 133.9 87.4 3.6 75.2 34.3 82.7 85 85 S I T < 5 + 0 0 27 -3,-1.5 3,-0.1 -4,-0.4 -3,-0.1 0.585 52.8 77.7 -72.3 -10.0 74.4 35.2 86.3 86 86 S Y T 3 S-H 92 0E 9 3,-2.3 3,-2.1 -2,-0.3 199,-0.1 -0.997 86.5 -3.4-129.8 130.0 65.0 31.2 86.2 90 90 S A T 3 S- 0 0 11 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.830 131.6 -62.0 54.6 34.0 64.6 28.4 88.8 91 91 S N T 3 S+ 0 0 69 1,-0.2 2,-0.4 215,-0.0 -1,-0.3 0.668 114.9 115.0 64.9 19.8 68.2 29.3 89.8 92 92 S H E < S-H 89 0E 64 -3,-2.1 -3,-2.3 -8,-0.0 -1,-0.2 -0.926 72.6-110.0-109.7 141.4 69.6 28.3 86.3 93 93 S T E > -H 88 0E 24 -2,-0.4 4,-2.7 -5,-0.2 -5,-0.3 -0.372 20.3-124.5 -68.1 152.2 71.1 30.9 84.1 94 94 S M H > S+ 0 0 0 -7,-2.5 4,-2.8 -10,-0.5 5,-0.3 0.868 113.7 57.4 -62.5 -35.1 69.1 31.9 81.0 95 95 S L H > S+ 0 0 39 -16,-0.4 4,-2.7 -8,-0.3 -1,-0.2 0.941 109.1 44.4 -59.2 -47.1 72.2 31.0 79.0 96 96 S D H > S+ 0 0 60 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.934 113.6 50.9 -61.6 -43.7 72.2 27.5 80.4 97 97 S I H X S+ 0 0 24 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.937 114.6 41.4 -60.4 -50.9 68.5 27.1 80.0 98 98 S C H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.871 111.7 56.5 -69.0 -33.8 68.6 28.1 76.3 99 99 S S H < S+ 0 0 32 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.826 114.1 40.0 -62.8 -32.6 71.7 26.1 75.6 100 100 S R H < S+ 0 0 121 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.838 124.7 34.2 -85.0 -33.1 70.0 23.0 76.9 101 101 S I H >X S+ 0 0 15 -4,-2.2 3,-1.7 -5,-0.2 4,-0.6 0.898 106.7 60.0 -91.2 -43.9 66.6 23.5 75.4 102 102 S L G >< S+ 0 0 3 -4,-2.3 3,-1.4 1,-0.3 -3,-0.1 0.874 98.7 57.3 -64.8 -35.8 66.9 25.3 72.1 103 103 S P G 34 S+ 0 0 66 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.685 105.5 55.4 -61.6 -16.8 69.1 22.6 70.3 104 104 S K G <4 S+ 0 0 112 -3,-1.7 -34,-0.3 -4,-0.1 -2,-0.2 0.581 86.3 101.7 -89.9 -12.6 66.3 20.1 71.1 105 105 S A S << S- 0 0 17 -3,-1.4 -34,-0.2 -4,-0.6 3,-0.1 -0.369 71.1-137.1 -69.5 150.1 63.5 22.1 69.3 106 106 S Q S S- 0 0 131 -36,-3.2 2,-0.3 1,-0.3 -35,-0.2 0.861 92.3 -0.8 -72.3 -31.6 62.3 21.2 65.9 107 107 S A E -c 71 0A 19 -37,-0.7 -35,-2.7 2,-0.0 2,-0.4 -0.974 68.4-149.2-152.2 150.5 62.4 24.9 65.0 108 108 S V E -c 72 0A 13 35,-0.4 37,-2.6 -2,-0.3 2,-0.5 -0.988 6.0-167.1-124.4 133.2 63.2 28.1 67.0 109 109 S I E -cd 73 145A 4 -37,-2.6 -35,-2.7 -2,-0.4 2,-0.7 -0.986 11.7-151.3-117.3 122.1 61.7 31.5 66.4 110 110 S A E -cd 74 146A 0 35,-3.1 37,-3.0 -2,-0.5 2,-0.6 -0.877 19.6-159.7 -90.5 116.6 63.4 34.4 68.1 111 111 S Y E +cd 75 147A 0 -37,-2.9 -35,-0.5 -2,-0.7 4,-0.4 -0.906 51.2 14.0-112.0 115.2 60.6 36.9 68.6 112 112 S G S > S- 0 0 0 35,-3.1 4,-2.9 -2,-0.6 3,-0.3 0.130 90.3 -84.1 99.1 149.5 61.4 40.6 69.2 113 113 S T H >>S+ 0 0 2 36,-2.4 4,-2.7 1,-0.2 5,-0.7 0.785 125.4 59.2 -59.3 -28.0 64.6 42.6 68.6 114 114 S C H >5S+ 0 0 18 35,-0.3 4,-1.7 4,-0.2 -1,-0.2 0.969 112.8 37.0 -66.2 -47.3 66.0 41.5 72.0 115 115 S A H 45S+ 0 0 0 -4,-0.4 18,-2.9 -3,-0.3 19,-0.4 0.860 123.7 44.3 -70.3 -33.3 65.8 37.8 71.1 116 116 S T H <5S+ 0 0 7 -4,-2.9 18,-0.3 16,-0.2 19,-0.3 0.950 137.8 1.0 -74.6 -47.5 66.9 38.4 67.5 117 117 S F H <5S- 0 0 31 -4,-2.7 15,-0.4 -5,-0.2 -3,-0.2 0.411 104.9 -90.6-128.6 -2.5 69.7 40.9 67.9 118 118 S G << - 0 0 0 -4,-1.7 4,-0.4 -5,-0.7 3,-0.4 -0.247 60.0-161.8 115.4 -41.5 70.3 41.6 71.6 119 119 S G > - 0 0 5 -6,-0.6 3,-1.5 1,-0.2 4,-0.5 -0.095 48.1 -14.2 66.8-155.3 67.9 44.5 72.0 120 120 S V G > S+ 0 0 2 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.857 132.8 49.8 -63.4 -43.0 67.7 47.2 74.7 121 121 S Q G 3 S+ 0 0 0 -3,-0.4 7,-0.5 1,-0.3 9,-0.4 0.689 106.3 59.2 -71.8 -13.6 69.9 45.6 77.4 122 122 S A G < S+ 0 0 18 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.481 81.3 112.7 -87.3 -5.9 72.6 45.0 74.7 123 123 S A S X S- 0 0 3 -3,-1.4 3,-2.9 -4,-0.5 7,-0.1 -0.320 79.6 -35.8 -62.8 154.4 72.8 48.8 74.0 124 124 S K T 3 S+ 0 0 148 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 -0.166 134.1 18.5 -56.0 137.7 76.1 50.3 75.0 125 125 S P T 3 S- 0 0 86 0, 0.0 -1,-0.3 0, 0.0 4,-0.1 -0.897 83.4-156.5 -96.2 23.1 77.8 49.7 77.4 126 126 S N X - 0 0 48 -3,-2.9 3,-1.8 -6,-0.2 -2,-0.1 0.923 11.5-173.9 48.4 60.2 75.9 46.3 77.6 127 127 S P T 3 S+ 0 0 30 0, 0.0 -1,-0.1 0, 0.0 183,-0.1 0.788 80.1 44.7 -61.5 -28.0 76.6 45.7 81.3 128 128 S T T 3 S- 0 0 0 -7,-0.5 -47,-2.5 181,-0.4 -48,-0.4 0.397 107.5-120.2 -98.0 8.5 75.1 42.2 81.2 129 129 S G < - 0 0 15 -3,-1.8 -49,-1.7 -49,-0.2 2,-0.1 0.890 43.8-172.1 58.5 42.5 76.7 41.0 78.0 130 130 S A E +F 79 0C 3 -9,-0.4 2,-0.3 -51,-0.2 -1,-0.2 -0.425 6.8 179.2 -72.1 139.2 73.3 40.5 76.4 131 131 S K E -F 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141 S G T < 5 + 0 0 52 -3,-1.9 2,-0.2 -4,-0.4 -3,-0.2 0.614 59.8 156.6 81.8 7.5 74.1 25.2 65.8 142 142 S V < - 0 0 12 -5,-1.3 2,-0.4 -9,-0.1 -1,-0.3 -0.558 17.8-178.0 -67.1 130.2 70.9 27.0 66.7 143 143 S K - 0 0 171 -2,-0.2 -35,-0.4 2,-0.0 2,-0.2 -0.802 10.0-167.9-133.6 87.8 69.5 29.0 63.8 144 144 S A - 0 0 0 -2,-0.4 2,-0.3 -37,-0.1 -35,-0.2 -0.554 27.1-117.1 -75.1 138.8 66.4 30.8 64.9 145 145 S I E -d 109 0A 12 -37,-2.6 -35,-3.1 -2,-0.2 2,-0.6 -0.626 36.9-135.6 -66.3 130.9 64.1 32.5 62.5 146 146 S N E -d 110 0A 7 31,-2.8 2,-0.7 -2,-0.3 -35,-0.2 -0.838 25.2-177.9-101.8 118.8 64.3 36.1 63.5 147 147 S I E -d 111 0A 0 -37,-3.0 -35,-3.1 -2,-0.6 -31,-0.2 -0.907 24.9-163.3-113.2 101.0 61.1 38.1 63.7 148 148 S A + 0 0 0 -2,-0.7 5,-0.4 -37,-0.2 105,-0.2 -0.337 33.8 94.5 -89.9 164.4 62.3 41.6 64.6 149 149 S G S S- 0 0 0 103,-0.6 -36,-2.4 3,-0.2 -35,-0.3 -0.472 75.0 -88.1 132.2 161.0 60.6 44.7 66.1 150 150 S C S S- 0 0 10 1,-1.0 103,-0.1 -38,-0.2 102,-0.1 -0.585 129.0 -7.0-133.3 71.9 60.2 46.1 69.6 151 151 S P S S- 0 0 5 0, 0.0 -1,-1.0 0, 0.0 -3,-0.1 0.574 104.0-133.0 -89.8 168.8 57.8 44.5 69.7 152 152 S P - 0 0 0 0, 0.0 -3,-0.2 0, 0.0 -4,-0.0 -0.239 35.5 -86.7 -66.4 167.7 57.2 42.9 66.3 153 153 S N >> - 0 0 7 -5,-0.4 3,-1.9 1,-0.2 4,-0.8 -0.682 33.7-140.1 -70.6 125.1 53.9 42.9 64.6 154 154 S P H 3> S+ 0 0 17 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.745 99.9 71.1 -64.6 -21.8 52.1 39.8 65.9 155 155 S Y H 3> S+ 0 0 130 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.867 96.0 53.6 -53.8 -35.5 50.8 39.2 62.3 156 156 S N H <> S+ 0 0 0 -3,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.837 108.0 47.6 -75.0 -31.2 54.4 38.3 61.5 157 157 S L H X S+ 0 0 6 -4,-0.8 4,-2.6 2,-0.2 5,-0.2 0.956 114.9 44.6 -70.7 -50.3 54.7 35.7 64.2 158 158 S V H X S+ 0 0 19 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.918 113.4 51.5 -62.5 -41.4 51.4 34.0 63.4 159 159 S G H X S+ 0 0 22 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.880 111.1 47.3 -65.2 -33.3 52.2 34.1 59.7 160 160 S T H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.922 113.4 47.3 -72.4 -44.3 55.7 32.5 60.2 161 161 S I H X S+ 0 0 12 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.947 112.5 49.8 -61.6 -46.1 54.3 29.8 62.4 162 162 S V H X S+ 0 0 75 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.938 111.5 49.2 -58.3 -44.7 51.4 29.0 60.0 163 163 S Y H X S+ 0 0 84 -4,-2.0 4,-3.0 -5,-0.3 6,-0.4 0.933 112.0 48.5 -60.1 -48.1 53.9 28.8 57.1 164 164 S Y H X S+ 0 0 46 -4,-2.4 4,-2.2 1,-0.2 5,-0.3 0.920 111.5 49.1 -61.7 -40.2 56.1 26.5 59.1 165 165 S L H < S+ 0 0 50 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.873 117.1 42.2 -70.1 -28.5 53.2 24.2 60.0 166 166 S K H < S+ 0 0 158 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.914 128.5 26.3 -80.3 -43.7 52.0 24.0 56.4 167 167 S N H < S- 0 0 65 -4,-3.0 -3,-0.2 2,-0.3 -2,-0.2 0.524 91.1-132.8-104.9 -7.1 55.3 23.6 54.6 168 168 S K S < S+ 0 0 161 -4,-2.2 2,-0.3 -5,-0.3 -4,-0.2 0.821 80.2 82.5 59.1 28.2 57.5 22.0 57.4 169 169 S A S S- 0 0 45 -6,-0.4 -2,-0.3 -5,-0.3 -1,-0.2 -0.992 87.7 -95.6-154.9 156.3 60.1 24.5 56.5 170 170 S A - 0 0 47 -2,-0.3 3,-0.1 1,-0.1 -9,-0.0 -0.467 44.1-114.2 -68.7 153.7 61.0 28.1 57.2 171 171 S P - 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77 -9,-0.5 -1,-0.3 1,-0.2 -8,-0.1 0.736 117.0 20.2 -70.2 -16.4 57.5 38.1 53.2 182 182 S F H <4 S+ 0 0 17 -3,-1.7 -2,-0.2 -26,-0.1 3,-0.2 0.632 133.3 38.0-115.4 -28.6 57.3 40.6 56.1 183 183 S F H < S+ 0 0 1 -4,-2.3 -3,-0.2 1,-0.1 -2,-0.2 0.158 81.9 102.4-115.2 17.0 60.7 42.3 56.2 184 184 S G S < S+ 0 0 46 -4,-1.2 2,-0.4 -5,-0.2 -1,-0.1 0.595 76.6 54.2 -82.3 -6.7 61.4 42.7 52.4 185 185 S Q S S- 0 0 81 -3,-0.2 44,-1.4 44,-0.1 2,-0.1 -0.941 84.5-113.1-122.5 149.0 60.5 46.4 52.2 186 186 S T B > -J 228 0G 27 -2,-0.4 4,-0.7 42,-0.2 42,-0.3 -0.425 26.0-122.6 -68.7 152.9 61.6 49.5 54.0 187 187 S V T >4 S+ 0 0 3 40,-2.7 3,-1.3 37,-0.6 4,-0.2 0.938 112.2 57.6 -55.8 -43.0 59.1 51.2 56.2 188 188 S H G >4 S+ 0 0 36 36,-1.7 3,-1.7 39,-0.3 -1,-0.2 0.859 97.3 56.4 -62.3 -41.1 59.8 54.3 54.1 189 189 S E G 34 S+ 0 0 96 35,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.754 113.4 43.6 -67.8 -14.5 58.9 52.9 50.7 190 190 S Q G << S+ 0 0 38 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.329 90.4 118.8-100.7 0.6 55.5 52.0 52.1 191 191 S C X - 0 0 17 -3,-1.7 3,-1.7 -4,-0.2 -3,-0.0 -0.546 62.6-141.4 -83.6 137.0 54.9 55.3 53.9 192 192 S P T 3 S+ 0 0 75 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.664 102.1 61.1 -62.6 -18.9 52.0 57.7 53.0 193 193 S R T >> S+ 0 0 30 1,-0.2 4,-2.0 2,-0.1 3,-1.1 0.462 71.5 104.7 -88.8 0.2 54.4 60.7 53.5 194 194 S L H <> S+ 0 0 43 -3,-1.7 4,-2.7 1,-0.3 -1,-0.2 0.836 74.0 57.5 -50.6 -39.5 56.7 59.5 50.7 195 195 S P H 3> S+ 0 0 87 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.868 107.3 48.6 -62.1 -34.6 55.4 62.2 48.3 196 196 S H H <>>S+ 0 0 48 -3,-1.1 5,-3.3 2,-0.2 4,-0.5 0.938 109.6 51.4 -67.3 -45.4 56.4 64.9 50.8 197 197 S F H ><5S+ 0 0 63 -4,-2.0 3,-1.5 1,-0.2 -1,-0.2 0.933 110.5 49.6 -49.5 -49.6 59.9 63.3 51.2 198 198 S D H 3<5S+ 0 0 119 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.818 111.4 49.0 -62.2 -31.4 60.2 63.4 47.4 199 199 S A H 3<5S- 0 0 63 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.359 115.2-114.6 -88.4 -0.6 59.1 67.0 47.3 200 200 S G T <<5 + 0 0 44 -3,-1.5 2,-1.0 -4,-0.5 -3,-0.2 0.774 65.5 151.0 68.8 29.9 61.6 68.0 50.1 201 201 S E < + 0 0 67 -5,-3.3 15,-2.0 -6,-0.2 2,-0.4 -0.769 17.2 166.3 -97.2 93.0 58.6 68.8 52.3 202 202 S F B -k 216 0H 58 -2,-1.0 15,-0.2 13,-0.2 8,-0.1 -0.884 39.8-120.9-112.9 136.7 59.8 68.2 55.9 203 203 S A - 0 0 0 13,-2.8 16,-0.1 -2,-0.4 3,-0.1 -0.571 18.9-158.2 -68.8 129.6 58.3 69.1 59.1 204 204 S P S S- 0 0 63 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.681 72.7 -0.6 -85.2 -12.7 60.8 71.3 61.0 205 205 S S S > S- 0 0 28 1,-0.1 3,-0.7 507,-0.0 6,-0.4 -0.965 72.6-108.6-165.4 163.1 59.3 70.7 64.4 206 206 S F T 3 S+ 0 0 22 -2,-0.3 503,-0.1 1,-0.2 504,-0.1 0.831 118.0 53.0 -75.7 -22.8 56.5 68.8 66.0 207 207 S E T 3 S+ 0 0 63 4,-0.1 -1,-0.2 502,-0.1 503,-0.1 0.576 89.5 112.1 -83.2 -10.6 54.6 72.0 66.8 208 208 S S S <> S- 0 0 13 -3,-0.7 4,-2.3 1,-0.1 5,-0.1 -0.166 77.5-124.0 -69.8 155.1 54.8 73.2 63.2 209 209 S E H > S+ 0 0 113 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.822 114.6 61.5 -64.5 -31.1 52.0 73.6 60.7 210 210 S E H 4>S+ 0 0 64 2,-0.2 5,-2.6 1,-0.2 -1,-0.2 0.893 104.8 46.1 -63.1 -42.2 54.0 71.3 58.4 211 211 S A H >45S+ 0 0 6 -6,-0.4 3,-1.9 1,-0.2 -2,-0.2 0.930 111.1 53.4 -62.4 -43.2 53.8 68.5 61.1 212 212 S R H 3<5S+ 0 0 58 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.900 107.6 50.6 -56.6 -38.8 50.0 69.3 61.4 213 213 S K T 3<5S- 0 0 134 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.381 122.2-106.7 -82.4 2.1 49.6 68.9 57.6 214 214 S G T < 5 + 0 0 16 -3,-1.9 -3,-0.2 -4,-0.2 -18,-0.2 0.755 56.7 170.2 83.3 25.0 51.4 65.5 57.7 215 215 S W < - 0 0 50 -5,-2.6 -13,-0.2 1,-0.2 -1,-0.1 -0.142 47.3 -71.0 -65.5 164.3 54.8 66.5 56.1 216 216 S C B -k 202 0H 9 -15,-2.0 -13,-2.8 -23,-0.2 3,-0.3 -0.251 34.1-147.4 -65.3 146.0 57.6 64.0 56.2 217 217 S L > > + 0 0 3 -15,-0.2 5,-2.0 1,-0.2 3,-0.9 0.232 65.9 109.4 -97.4 10.7 59.3 63.4 59.5 218 218 S Y G > 5S+ 0 0 79 1,-0.3 3,-1.9 3,-0.2 -1,-0.2 0.893 78.1 51.1 -57.9 -43.9 62.9 62.7 58.2 219 219 S E G 3 5S+ 0 0 111 -3,-0.3 48,-0.3 1,-0.3 -1,-0.3 0.771 106.1 57.6 -66.8 -20.9 64.3 66.0 59.6 220 220 S L G < 5S- 0 0 13 -3,-0.9 -1,-0.3 46,-0.1 -2,-0.2 0.181 134.0 -86.3 -92.4 14.0 62.8 65.1 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