==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 05-JUL-06 2HKX . COMPND 2 MOLECULE: CARBON MONOXIDE OXIDATION SYSTEM TRANSCRIPTION . SOURCE 2 ORGANISM_SCIENTIFIC: CARBOXYDOTHERMUS HYDROGENOFORMANS; . AUTHOR N.D.LANZ,M.BORJIGIN,H.LI,R.L.KERBY,T.L.POULOS,G.P.ROBERTS . 366 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18484.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 23.5 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 . 15 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 2 1 0 1 1 0 2 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 2 4 3 2 2 1 1 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 5 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 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 A 0 0 39 0, 0.0 2,-0.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 148.8 28.1 -1.9 12.9 2 3 A T - 0 0 7 3,-2.4 3,-0.4 69,-0.1 69,-0.3 -0.874 360.0 -96.8-139.8 177.4 28.3 -0.6 16.5 3 4 A Q S S+ 0 0 16 -2,-0.3 68,-0.3 1,-0.2 3,-0.2 0.631 124.2 50.7 -68.7 -17.0 30.4 1.8 18.6 4 5 A M S S+ 0 0 5 1,-0.3 2,-0.3 66,-0.2 -1,-0.2 0.634 124.1 18.3 -97.5 -18.6 32.3 -1.3 19.9 5 6 A R - 0 0 74 -3,-0.4 -3,-2.4 1,-0.1 -1,-0.3 -0.864 60.7-173.9-159.6 119.7 33.1 -2.8 16.4 6 7 A L - 0 0 14 65,-0.5 2,-0.3 -2,-0.3 -1,-0.1 0.993 61.2 -8.8 -78.8 -73.3 33.1 -1.0 13.0 7 8 A T - 0 0 11 2,-0.1 -1,-0.3 -6,-0.1 69,-0.1 -0.974 41.9-139.3-137.4 142.0 33.6 -3.3 10.0 8 9 A D + 0 0 128 -2,-0.3 -1,-0.0 -3,-0.1 2,-0.0 0.339 64.2 137.2 -74.8 5.5 34.7 -6.9 9.5 9 10 A T - 0 0 47 1,-0.1 2,-1.0 106,-0.1 -2,-0.1 -0.286 53.3-137.1 -67.8 138.9 36.8 -5.5 6.6 10 11 A N > + 0 0 97 1,-0.2 4,-0.6 2,-0.1 65,-0.1 -0.655 39.1 153.3-103.4 78.3 40.4 -6.8 6.2 11 12 A L H > S+ 0 0 5 -2,-1.0 4,-0.9 1,-0.2 -1,-0.2 0.411 72.2 60.1 -85.6 0.7 42.7 -3.9 5.5 12 13 A L H 4 S+ 0 0 38 2,-0.2 4,-0.5 62,-0.1 -1,-0.2 0.853 96.8 54.4 -92.8 -44.5 45.7 -5.8 6.9 13 14 A E H 4 S+ 0 0 119 1,-0.2 3,-0.2 2,-0.2 -2,-0.2 0.765 111.3 51.4 -57.3 -27.7 45.8 -8.8 4.6 14 15 A V H >< S+ 0 0 40 -4,-0.6 3,-2.2 1,-0.2 6,-0.4 0.959 105.0 50.9 -72.7 -56.3 45.9 -6.2 1.8 15 16 A L T 3< S+ 0 0 1 -4,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.451 119.3 40.6 -67.2 2.0 48.9 -4.2 3.1 16 17 A N T 3 S+ 0 0 111 -4,-0.5 -1,-0.3 -3,-0.2 -2,-0.2 0.223 99.1 103.3-127.2 9.5 50.8 -7.5 3.5 17 18 A S S < S- 0 0 64 -3,-2.2 -3,-0.1 -5,-0.1 -2,-0.0 0.415 87.3 -71.0 -81.6-151.5 49.7 -9.2 0.3 18 19 A E S S+ 0 0 171 1,-0.1 -4,-0.0 3,-0.0 -3,-0.0 0.987 125.7 27.4 -68.7 -63.3 51.2 -9.9 -3.2 19 20 A E S S+ 0 0 123 1,-0.1 2,-0.8 2,-0.1 3,-0.5 0.865 104.3 84.5 -72.1 -39.1 51.3 -6.4 -4.7 20 21 A Y + 0 0 18 -6,-0.4 -1,-0.1 1,-0.2 89,-0.0 -0.601 49.1 97.7 -82.9 104.9 51.5 -4.3 -1.6 21 22 A S S S+ 0 0 81 -2,-0.8 4,-0.4 -5,-0.1 -1,-0.2 0.282 78.4 56.6-151.5 -16.5 55.1 -3.9 -0.2 22 23 A G S > S+ 0 0 45 -3,-0.5 4,-0.6 2,-0.2 -2,-0.1 0.657 103.9 53.9 -90.6 -20.6 56.1 -0.4 -1.6 23 24 A V T 4 S+ 0 0 5 2,-0.2 3,-0.3 1,-0.2 -1,-0.1 0.807 98.7 61.5 -81.8 -35.2 53.1 1.4 0.0 24 25 A L T >4 S+ 0 0 59 1,-0.2 3,-1.6 2,-0.2 -1,-0.2 0.858 98.6 59.7 -56.2 -37.3 53.9 0.0 3.5 25 26 A K T 34 S+ 0 0 150 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.913 98.2 57.5 -45.4 -57.9 57.3 1.9 3.1 26 27 A E T 3< S+ 0 0 106 -4,-0.6 2,-0.5 -3,-0.3 -1,-0.3 0.240 96.0 87.7 -68.8 10.8 55.2 5.2 2.7 27 28 A F < - 0 0 13 -3,-1.6 2,-0.3 70,-0.1 70,-0.2 -0.970 67.8-151.1-116.2 129.0 53.7 4.4 6.2 28 29 A R E -A 96 0A 156 68,-2.6 68,-2.7 -2,-0.5 2,-0.4 -0.655 14.9-136.0 -86.4 149.8 55.4 5.5 9.4 29 30 A E E +A 95 0A 92 -2,-0.3 2,-0.3 66,-0.2 66,-0.2 -0.871 24.0 173.8-107.5 139.7 55.0 3.4 12.6 30 31 A Q E -A 94 0A 79 64,-1.4 64,-2.7 -2,-0.4 2,-0.3 -0.988 15.2-150.5-141.7 138.8 54.2 4.8 16.0 31 32 A R E -A 93 0A 195 -2,-0.3 2,-0.4 62,-0.2 62,-0.2 -0.853 8.5-158.6-114.5 148.4 53.5 2.9 19.2 32 33 A Y E -A 92 0A 28 60,-3.4 60,-2.2 -2,-0.3 2,-0.1 -0.976 14.3-129.2-132.7 132.9 51.3 3.9 22.2 33 34 A S > - 0 0 78 -2,-0.4 3,-2.4 58,-0.2 55,-0.3 -0.413 51.1 -79.5 -69.1 149.0 51.0 2.8 25.8 34 35 A K T 3 S+ 0 0 126 1,-0.3 55,-0.2 55,-0.1 -1,-0.1 -0.249 120.0 17.0 -47.7 132.6 47.6 2.0 27.2 35 36 A K T 3 S+ 0 0 100 53,-2.3 -1,-0.3 1,-0.3 2,-0.2 0.301 92.5 138.6 78.8 -4.8 45.6 5.1 28.0 36 37 A A < - 0 0 24 -3,-2.4 52,-3.1 51,-0.1 2,-0.7 -0.484 57.1-123.9 -70.3 136.4 47.9 7.3 25.9 37 38 A I E -D 87 0B 79 50,-0.2 50,-0.3 -2,-0.2 3,-0.1 -0.741 24.4-174.5 -79.5 114.5 46.2 10.0 23.8 38 39 A L E + 0 0 13 48,-2.0 2,-0.3 -2,-0.7 -1,-0.2 0.943 69.9 7.8 -71.7 -48.2 47.3 9.4 20.1 39 40 A Y E -D 86 0B 20 47,-1.5 47,-2.2 4,-0.0 -1,-0.3 -0.980 59.7-151.3-143.6 151.9 45.5 12.6 18.9 40 41 A T > - 0 0 48 -2,-0.3 3,-0.8 45,-0.2 42,-0.2 -0.623 37.6-106.8-110.8 162.8 43.7 15.6 20.2 41 42 A P T 3 S+ 0 0 41 0, 0.0 2,-0.7 0, 0.0 43,-0.2 0.913 118.1 51.5 -62.5 -39.7 41.0 17.6 18.3 42 43 A N T 3 S+ 0 0 129 41,-0.1 2,-0.4 39,-0.0 39,-0.1 -0.390 73.6 154.6 -93.9 54.4 43.4 20.4 17.6 43 44 A T < - 0 0 27 -3,-0.8 -4,-0.0 -2,-0.7 37,-0.0 -0.700 37.0-151.7 -74.5 131.7 46.2 18.4 16.0 44 45 A E S S+ 0 0 182 -2,-0.4 2,-0.3 2,-0.0 -1,-0.2 0.803 78.5 77.0 -73.6 -32.1 48.1 20.7 13.7 45 46 A R S S- 0 0 127 -3,-0.1 2,-0.6 35,-0.0 -2,-0.1 -0.616 71.4-151.8 -81.6 135.6 49.0 17.6 11.6 46 47 A N + 0 0 59 -2,-0.3 53,-2.2 35,-0.1 2,-0.3 -0.908 31.9 158.4-113.5 106.7 46.5 16.1 9.3 47 48 A L E -B 98 0A 1 -2,-0.6 33,-1.3 51,-0.2 2,-0.4 -0.768 39.6-136.4-123.6 158.9 47.1 12.4 8.9 48 49 A V E +BC 97 79A 13 49,-2.5 49,-1.6 -2,-0.3 2,-0.3 -0.973 34.7 178.1-110.5 137.5 45.4 9.1 7.9 49 50 A F E -BC 96 78A 0 29,-2.4 29,-2.4 -2,-0.4 2,-0.4 -0.976 20.2-155.7-137.6 151.1 46.2 6.2 10.1 50 51 A L E -BC 95 77A 0 45,-2.6 45,-2.5 -2,-0.3 2,-0.5 -0.988 27.9-115.9-125.1 145.0 45.4 2.5 10.5 51 52 A V E -B 94 0A 0 25,-1.8 24,-2.8 22,-0.4 43,-0.2 -0.640 28.0-179.7 -72.7 116.9 45.6 0.4 13.6 52 53 A K E S- 0 0 93 41,-2.9 2,-0.3 -2,-0.5 42,-0.2 0.851 72.5 -3.5 -83.2 -43.9 48.3 -2.3 13.0 53 54 A S E S+B 93 0A 55 40,-1.8 40,-2.1 -3,-0.1 -1,-0.4 -0.995 109.9 19.5-151.0 149.9 47.7 -3.8 16.4 54 55 A G S S- 0 0 19 -2,-0.3 20,-0.7 38,-0.2 2,-0.3 -0.764 80.4 -72.8 98.5-137.2 45.7 -3.1 19.5 55 56 A R E -E 73 0B 28 35,-0.4 34,-2.4 -2,-0.4 35,-0.8 -0.928 33.5-162.9-173.1 120.3 42.6 -1.0 20.0 56 57 A V E -EF 72 88B 0 16,-2.8 16,-4.1 -2,-0.3 2,-0.4 -0.918 12.0-139.2-125.7 157.3 41.8 2.7 20.0 57 58 A R E -EF 71 87B 17 30,-2.7 30,-2.0 -2,-0.3 2,-0.5 -0.894 7.3-157.8-116.5 127.8 38.8 4.7 21.2 58 59 A V E +EF 70 86B 1 12,-2.9 11,-2.5 -2,-0.4 12,-1.6 -0.941 31.0 159.8-109.6 126.0 37.4 7.7 19.3 59 60 A Y E -EF 68 85B 9 26,-2.5 26,-3.3 -2,-0.5 2,-0.3 -0.994 40.4-127.4-150.0 156.3 35.5 10.0 21.6 60 61 A L E -E 67 0B 1 7,-2.5 7,-2.3 -2,-0.3 2,-0.3 -0.774 28.2-164.7 -95.6 148.6 34.1 13.4 22.1 61 62 A A E +E 66 0B 37 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.988 15.7 171.2-137.3 146.8 34.9 15.3 25.4 62 63 A Y E > -E 65 0B 108 3,-2.4 3,-2.5 -2,-0.3 2,-0.2 -0.884 67.3 -44.5-158.4 117.2 33.4 18.4 27.1 63 64 A E T 3 S- 0 0 151 -2,-0.3 -1,-0.0 1,-0.3 0, 0.0 -0.393 125.6 -21.1 52.5-117.1 34.4 19.4 30.6 64 65 A D T 3 S+ 0 0 143 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.3 0.346 121.1 94.2-102.2 8.0 34.5 16.3 32.6 65 66 A K E < -E 62 0B 76 -3,-2.5 -3,-2.4 290,-0.1 2,-0.3 -0.691 48.7-174.9-103.8 154.9 32.2 14.3 30.3 66 67 A E E -E 61 0B 69 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.975 11.4-162.5-140.7 155.6 33.0 11.9 27.4 67 68 A F E -E 60 0B 3 -7,-2.3 -7,-2.5 -2,-0.3 2,-0.5 -0.976 20.4-136.4-139.9 120.3 31.0 10.1 24.7 68 69 A T E +E 59 0B 4 107,-1.6 -9,-0.3 -2,-0.4 3,-0.1 -0.677 21.4 178.6 -80.0 124.4 32.6 7.2 22.9 69 70 A L E - 0 0 8 -11,-2.5 2,-0.3 -2,-0.5 -10,-0.2 0.844 63.5 -14.3 -88.1 -43.3 31.8 7.3 19.1 70 71 A A E -E 58 0B 2 -12,-1.6 -12,-2.9 -66,-0.1 2,-0.4 -0.989 48.7-132.9-158.0 156.5 33.8 4.2 18.0 71 72 A I E -E 57 0B 1 -68,-0.3 -65,-0.5 -2,-0.3 2,-0.5 -0.988 26.5-149.2-112.8 129.5 36.4 1.6 18.9 72 73 A L E -E 56 0B 0 -16,-4.1 -16,-2.8 -2,-0.4 2,-0.2 -0.894 15.2-171.0-103.7 130.1 39.0 1.0 16.2 73 74 A E E > -E 55 0B 34 -2,-0.5 3,-2.2 -18,-0.2 -22,-0.4 -0.577 44.1 -58.8-107.6 173.2 40.5 -2.5 15.9 74 75 A A T 3 S+ 0 0 40 -20,-0.7 -22,-0.2 1,-0.2 -62,-0.1 -0.327 127.7 27.5 -54.9 128.5 43.5 -3.9 13.9 75 76 A G T 3 S+ 0 0 3 -24,-2.8 -1,-0.2 1,-0.4 -23,-0.1 -0.101 94.5 119.5 105.5 -33.4 42.7 -3.2 10.2 76 77 A D < - 0 0 4 -3,-2.2 -25,-1.8 -26,-0.1 -1,-0.4 -0.259 48.8-150.3 -71.6 157.2 40.5 -0.1 10.8 77 78 A I E +C 50 0A 12 -27,-0.2 2,-0.3 -3,-0.1 -27,-0.2 -0.895 20.5 158.7-134.1 147.7 41.4 3.2 9.5 78 79 A F E -C 49 0A 32 -29,-2.4 -29,-2.4 -2,-0.3 2,-0.2 -0.912 25.5-124.9-155.1 178.8 40.8 6.9 10.6 79 80 A C E -C 48 0A 22 -2,-0.3 -31,-0.2 -31,-0.2 3,-0.1 -0.687 14.8-131.2-125.1-178.1 42.0 10.5 10.2 80 81 A T S S+ 0 0 2 -33,-1.3 -37,-0.4 -2,-0.2 2,-0.4 0.342 84.3 90.0-116.3 1.3 43.2 13.3 12.5 81 82 A H + 0 0 104 -34,-0.3 2,-0.3 -39,-0.1 -1,-0.1 -0.138 68.2 105.0 -95.1 44.7 41.0 16.1 11.1 82 83 A T S S- 0 0 26 -2,-0.4 -39,-0.3 2,-0.2 262,-0.0 -0.858 78.4-124.1-121.0 152.5 38.2 15.4 13.5 83 84 A R S S+ 0 0 72 -2,-0.3 2,-0.2 -41,-0.1 -41,-0.1 0.324 81.5 105.9 -70.4 6.7 37.0 17.2 16.7 84 85 A A S S- 0 0 2 -44,-0.2 -24,-0.2 -43,-0.2 -2,-0.2 -0.615 70.5-125.2 -98.1 149.9 37.4 13.9 18.5 85 86 A F E - F 0 59B 52 -26,-3.3 -26,-2.5 -2,-0.2 2,-0.4 -0.566 20.3-153.8 -78.9 153.8 40.0 12.6 21.0 86 87 A I E +DF 39 58B 1 -47,-2.2 -48,-2.0 -28,-0.2 -47,-1.5 -0.974 18.2 177.4-136.4 116.8 41.8 9.3 20.1 87 88 A Q E -DF 37 57B 23 -30,-2.0 -30,-2.7 -2,-0.4 2,-0.4 -0.940 33.1-114.3-127.5 141.6 43.1 7.2 22.9 88 89 A A E - F 0 56B 0 -52,-3.1 -53,-2.3 -2,-0.4 -32,-0.2 -0.601 18.4-170.4 -67.5 126.4 44.9 3.8 23.3 89 90 A M S S- 0 0 12 -34,-2.4 2,-0.3 -2,-0.4 -1,-0.2 0.552 79.4 -7.2 -91.9 -14.0 42.6 1.4 25.1 90 91 A E S S- 0 0 75 -35,-0.8 -35,-0.4 -57,-0.1 -1,-0.3 -0.940 110.4 -45.1-164.2 170.6 45.7 -0.8 25.2 91 92 A D S S- 0 0 118 -2,-0.3 2,-0.3 -3,-0.1 -58,-0.2 -0.311 72.1-179.3 -48.3 113.3 49.2 -1.0 23.9 92 93 A T E -A 32 0A 2 -60,-2.2 -60,-3.4 -2,-0.2 2,-0.4 -0.911 28.0-157.7-129.7 143.8 48.7 -0.1 20.2 93 94 A T E -AB 31 53A 20 -40,-2.1 -41,-2.9 -2,-0.3 -40,-1.8 -0.994 18.5-170.9-119.4 121.8 50.8 0.3 17.1 94 95 A I E -AB 30 51A 0 -64,-2.7 -64,-1.4 -2,-0.4 2,-0.4 -0.657 18.0-142.6 -99.6 166.1 49.5 2.5 14.2 95 96 A L E +AB 29 50A 9 -45,-2.5 -45,-2.6 -2,-0.2 2,-0.2 -0.990 31.7 178.1-121.1 121.9 50.7 3.1 10.7 96 97 A Y E +AB 28 49A 16 -68,-2.7 -68,-2.6 -2,-0.4 2,-0.3 -0.756 18.1 178.3-122.4 166.5 50.3 6.7 9.5 97 98 A T E - B 0 48A 10 -49,-1.6 -49,-2.5 -2,-0.2 -70,-0.1 -0.932 41.7 -94.4-159.3 144.5 50.9 9.0 6.5 98 99 A D E >> - B 0 47A 61 -2,-0.3 4,-2.0 -51,-0.2 3,-0.7 -0.299 43.7-112.3 -53.8 143.4 50.3 12.7 5.8 99 100 A I H 3> S+ 0 0 57 -53,-2.2 4,-2.4 1,-0.2 5,-0.2 0.872 116.7 56.1 -50.6 -44.5 46.9 13.1 3.9 100 101 A R H 3> S+ 0 0 143 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.885 108.4 48.9 -55.7 -39.9 48.7 14.3 0.7 101 102 A N H X> S+ 0 0 57 -3,-0.7 4,-1.8 1,-0.2 3,-0.5 0.909 109.6 51.1 -66.0 -43.2 50.7 11.1 0.7 102 103 A F H 3X S+ 0 0 6 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.857 103.2 59.4 -60.3 -37.4 47.5 9.0 1.3 103 104 A Q H 3X S+ 0 0 53 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.809 107.2 47.5 -62.4 -29.9 45.9 10.7 -1.6 104 105 A N H XX S+ 0 0 85 -4,-1.0 4,-0.9 -3,-0.5 3,-0.5 0.870 108.5 54.1 -75.3 -41.4 48.7 9.4 -3.8 105 106 A I H 3X S+ 0 0 10 -4,-1.8 4,-1.2 1,-0.2 7,-0.2 0.787 98.2 64.1 -61.8 -33.1 48.5 5.8 -2.4 106 107 A V H 3< S+ 0 0 0 -4,-1.7 7,-0.5 1,-0.2 -1,-0.2 0.859 104.2 45.0 -65.6 -32.7 44.8 5.5 -3.2 107 108 A V H << S+ 0 0 63 -3,-0.5 -1,-0.2 -4,-0.5 -2,-0.2 0.740 109.5 53.9 -87.3 -23.1 45.3 5.7 -7.0 108 109 A E H < S+ 0 0 139 -4,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.717 123.2 30.0 -77.9 -23.5 48.3 3.3 -7.1 109 110 A F >X - 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K 0 267D 1 -49,-2.6 -49,-2.7 -2,-0.3 -70,-0.1 -0.962 40.0 -88.7-143.8 166.3 23.6 4.6 -9.6 317 99 B D E > - K 0 266D 50 -2,-0.3 4,-2.5 -51,-0.2 3,-0.4 -0.365 37.7-113.3 -72.9 147.4 23.5 1.2 -7.9 318 100 B I H > S+ 0 0 44 -53,-2.8 4,-1.7 1,-0.2 -52,-0.1 0.803 117.5 53.6 -52.1 -33.8 25.9 0.4 -5.1 319 101 B R H > S+ 0 0 183 -54,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.914 110.1 45.9 -67.5 -45.1 27.7 -2.2 -7.3 320 102 B N H > S+ 0 0 55 -3,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.920 109.9 54.4 -61.4 -46.8 28.3 0.2 -10.1 321 103 B F H X S+ 0 0 4 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.885 108.8 49.2 -56.1 -41.5 29.5 2.9 -7.7 322 104 B Q H X S+ 0 0 64 -4,-1.7 4,-1.6 -5,-0.2 -1,-0.2 0.878 110.0 50.3 -65.1 -39.2 32.1 0.4 -6.4 323 105 B N H X S+ 0 0 94 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.887 112.5 48.6 -62.6 -41.1 33.2 -0.5 -9.9 324 106 B I H X S+ 0 0 4 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.957 109.5 50.9 -58.7 -54.1 33.5 3.3 -10.6 325 107 B V H < S+ 0 0 0 -4,-2.7 7,-0.2 1,-0.2 -2,-0.2 0.803 115.5 43.9 -57.2 -31.6 35.6 3.8 -7.4 326 108 B V H < S+ 0 0 58 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.842 115.6 45.4 -83.6 -37.4 37.9 1.0 -8.5 327 109 B E H < S+ 0 0 141 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.828 129.9 26.4 -70.9 -31.8 38.2 2.0 -12.1 328 110 B F S >< S+ 0 0 43 -4,-2.9 3,-1.8 -5,-0.2 4,-0.5 -0.711 71.3 175.2-132.5 74.6 38.8 5.7 -11.1 329 111 B P T > S+ 0 0 19 0, 0.0 3,-0.9 0, 0.0 4,-0.3 0.740 75.5 63.4 -64.7 -21.8 40.3 5.6 -7.6 330 112 B A T >> S+ 0 0 28 1,-0.2 3,-1.1 2,-0.2 4,-1.1 0.700 85.6 74.0 -75.5 -22.3 40.8 9.4 -7.4 331 113 B F H <> S+ 0 0 0 -3,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.825 89.4 61.2 -54.4 -35.3 37.1 9.9 -7.7 332 114 B S H <> S+ 0 0 0 -3,-0.9 4,-3.4 -4,-0.5 -1,-0.2 0.752 95.3 59.8 -59.6 -31.3 37.0 8.8 -4.0 333 115 B L H <> S+ 0 0 13 -3,-1.1 4,-1.7 -4,-0.3 -1,-0.2 0.914 109.1 42.7 -69.0 -41.7 39.2 11.6 -3.0 334 116 B N H X S+ 0 0 4 -4,-1.1 4,-1.2 2,-0.2 -2,-0.2 0.839 114.6 53.1 -62.4 -40.6 36.6 14.1 -4.3 335 117 B M H >X S+ 0 0 6 -4,-1.8 4,-2.5 1,-0.2 3,-0.8 0.976 108.4 48.5 -61.2 -54.9 33.9 11.8 -2.7 336 118 B V H 3X S+ 0 0 29 -4,-3.4 4,-3.1 1,-0.2 -2,-0.2 0.867 104.9 59.1 -53.3 -44.4 35.6 11.9 0.8 337 119 B K H 3X S+ 0 0 78 -4,-1.7 4,-0.7 2,-0.2 -1,-0.2 0.854 113.2 38.0 -54.0 -41.6 36.0 15.7 0.7 338 120 B V H - 0 0 133 -2,-0.2 3,-0.9 3,-0.0 -1,-0.1 0.651 59.8 -34.9 -79.1-128.2 23.4 20.3 30.9 358 140 B A G > S+ 0 0 63 1,-0.2 3,-1.1 2,-0.1 5,-0.1 0.498 116.5 89.0 -76.5 -5.5 20.3 20.4 33.3 359 141 B R G >> + 0 0 159 1,-0.2 4,-2.5 2,-0.2 3,-0.9 0.593 67.5 80.9 -70.0 -8.1 18.1 21.3 30.2 360 142 B L G <4 S+ 0 0 98 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.1 0.893 103.5 30.5 -61.5 -40.9 17.7 17.6 29.7 361 143 B R G <4 S+ 0 0 167 -3,-1.1 -1,-0.2 2,-0.1 -2,-0.2 0.061 121.1 52.9-108.8 23.6 14.9 17.5 32.4 362 144 B L T X4 S+ 0 0 94 -3,-0.9 3,-0.7 2,-0.1 4,-0.4 0.576 108.3 46.8-123.2 -39.8 13.7 21.1 31.8 363 145 B A T 3X S+ 0 0 39 -4,-2.5 4,-1.1 1,-0.2 -2,-0.1 0.320 99.1 76.6 -76.5 1.1 13.1 20.8 28.1 364 146 B E T 34 S+ 0 0 89 2,-0.2 -1,-0.2 1,-0.1 -3,-0.1 0.713 97.2 43.5 -78.6 -25.5 11.5 17.6 29.3 365 147 B F T <4 S+ 0 0 147 -3,-0.7 -2,-0.2 1,-0.1 -1,-0.1 0.583 103.9 64.0 -93.9 -16.0 8.6 19.9 30.4 366 148 B L T 4 0 0 141 -4,-0.4 -2,-0.2 0, 0.0 -1,-0.1 0.912 360.0 360.0 -64.1 -45.9 8.8 21.8 27.1 367 149 B V < 0 0 162 -4,-1.1 -3,-0.1 0, 0.0 0, 0.0 0.111 360.0 360.0-113.3 360.0 7.7 18.6 25.4