==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-JAN-06 2FRD . COMPND 2 MOLECULE: NAD(P) TRANSHYDROGENASE SUBUNIT ALPHA PART 1; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOSPIRILLUM RUBRUM; . AUTHOR T.H.BRONDIJK,G.I.VAN BOXEL,O.C.MATHER,P.G.QUIRK,S.A.WHITE, . 896 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36989.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 634 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 122 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 80 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 222 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.9 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 3 3 2 3 3 2 0 2 1 1 0 2 1 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 4 3 14 4 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 . 3 3 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 4 1 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 A M 0 0 52 0, 0.0 31,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 167.9 28.0 0.7 26.8 2 2 A K E -a 32 0A 55 29,-0.2 67,-1.8 31,-0.0 68,-1.6 -0.914 360.0-171.8-139.0 105.1 26.6 -1.5 29.4 3 3 A I E -ab 33 70A 0 29,-1.4 31,-3.0 -2,-0.4 2,-0.3 -0.768 4.2-165.5-102.3 145.1 22.8 -2.0 29.8 4 4 A A E -ab 34 71A 0 66,-2.2 68,-2.0 -2,-0.3 31,-0.2 -0.971 11.0-168.8-134.7 144.1 21.0 -3.9 32.7 5 5 A I E -a 35 0A 0 29,-2.2 31,-0.9 -2,-0.3 68,-0.1 -0.975 15.8-158.5-133.6 117.6 17.5 -5.2 33.3 6 6 A P - 0 0 2 0, 0.0 11,-0.3 0, 0.0 2,-0.2 -0.390 26.1 -95.9 -90.8 168.7 16.4 -6.5 36.7 7 7 A K - 0 0 58 -2,-0.1 2,-0.7 9,-0.1 32,-0.1 -0.490 44.4-112.1 -67.4 149.1 13.7 -8.8 38.1 8 8 A E - 0 0 7 7,-0.2 4,-0.1 5,-0.2 32,-0.1 -0.829 31.8-177.9 -91.0 112.5 10.5 -7.0 39.2 9 9 A R + 0 0 153 -2,-0.7 -1,-0.1 2,-0.1 -2,-0.0 0.309 47.7 114.5 -92.5 5.8 10.2 -7.3 43.0 10 10 A R S > S- 0 0 36 1,-0.1 3,-1.5 3,-0.1 -2,-0.1 -0.689 82.9-105.3 -73.3 123.4 6.9 -5.4 43.0 11 11 A P T 3 S+ 0 0 120 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.314 103.9 18.1 -62.5 128.4 4.3 -7.9 44.1 12 12 A G T 3 S+ 0 0 56 1,-0.2 2,-0.5 -4,-0.1 -3,-0.0 -0.276 89.7 125.4 107.4 -43.0 2.2 -9.1 41.2 13 13 A E < + 0 0 3 -3,-1.5 -1,-0.2 1,-0.2 -5,-0.2 -0.344 17.8 157.9 -62.6 107.7 4.6 -7.9 38.4 14 14 A D + 0 0 80 -2,-0.5 29,-0.2 28,-0.1 -1,-0.2 0.380 46.9 102.6-102.6 -1.5 5.5 -10.8 36.1 15 15 A R - 0 0 20 27,-0.1 2,-0.3 28,-0.1 -7,-0.2 -0.381 50.5-167.2 -82.6 161.1 6.4 -8.5 33.3 16 16 A V - 0 0 3 303,-0.3 2,-0.7 2,-0.1 311,-0.4 -0.983 29.1-127.2-145.1 148.9 10.0 -7.6 32.2 17 17 A A S S+ 0 0 0 -2,-0.3 2,-0.3 -11,-0.3 55,-0.1 -0.423 84.2 70.7 -94.3 55.7 11.5 -5.0 30.0 18 18 A I + 0 0 1 -2,-0.7 309,-0.2 305,-0.0 -2,-0.1 -0.973 47.4 176.7-161.1 154.3 13.5 -7.5 27.9 19 19 A S > - 0 0 8 -2,-0.3 4,-2.2 308,-0.1 3,-0.3 -0.966 43.8-108.5-150.9 156.0 13.2 -10.3 25.3 20 20 A P H > S+ 0 0 38 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.829 121.3 52.3 -51.4 -39.3 15.7 -12.6 23.4 21 21 A E H > S+ 0 0 94 1,-0.2 4,-1.5 2,-0.2 29,-0.0 0.911 110.9 47.1 -60.2 -44.7 14.9 -10.7 20.2 22 22 A V H > S+ 0 0 2 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.806 106.9 57.6 -71.1 -30.5 15.6 -7.3 22.0 23 23 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.913 105.2 51.4 -62.0 -45.1 18.9 -8.7 23.5 24 24 A K H X S+ 0 0 126 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.908 111.1 48.2 -56.2 -45.6 20.2 -9.5 19.9 25 25 A K H X S+ 0 0 117 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.926 109.2 49.8 -65.8 -49.5 19.4 -5.9 18.8 26 26 A L H X>S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.9 0.870 111.1 50.4 -58.4 -42.2 21.0 -4.1 21.7 27 27 A V H <5S+ 0 0 66 -4,-1.9 -1,-0.2 3,-0.2 -2,-0.2 0.944 108.6 53.6 -56.0 -50.3 24.2 -6.2 21.2 28 28 A G H <5S+ 0 0 43 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.816 111.4 45.4 -52.4 -36.8 24.0 -5.2 17.6 29 29 A L H <5S- 0 0 38 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.860 130.4 -92.7 -74.1 -39.6 23.8 -1.5 18.7 30 30 A G T <5S+ 0 0 17 -4,-2.6 2,-0.4 1,-0.2 -3,-0.2 0.660 75.0 136.0 121.6 57.9 26.7 -1.9 21.2 31 31 A F < - 0 0 6 -5,-0.9 2,-0.9 -8,-0.1 -29,-0.2 -0.996 50.3-138.1-132.1 126.5 25.3 -2.7 24.6 32 32 A E E -a 2 0A 116 -31,-2.1 -29,-1.4 -2,-0.4 2,-0.7 -0.785 32.4-148.8 -76.9 109.2 26.6 -5.3 27.1 33 33 A V E -ac 3 55A 1 -2,-0.9 23,-2.5 21,-0.5 2,-0.4 -0.757 17.4-174.9 -93.2 109.1 23.2 -6.7 28.2 34 34 A I E +ac 4 56A 14 -31,-3.0 -29,-2.2 -2,-0.7 2,-0.3 -0.849 4.3 179.4-103.8 138.7 23.0 -7.9 31.8 35 35 A V E -ac 5 57A 0 21,-2.1 23,-4.4 -2,-0.4 2,-0.2 -0.871 28.2-101.5-131.9 161.8 19.9 -9.6 33.2 36 36 A E E > - c 0 58A 6 -31,-0.9 2,-2.3 -2,-0.3 3,-1.5 -0.519 40.3 -95.3 -88.5 157.2 19.0 -11.1 36.6 37 37 A Q T 3 S+ 0 0 134 21,-0.7 3,-0.1 22,-0.4 -1,-0.1 -0.412 115.6 0.6 -72.6 73.8 18.9 -14.8 37.6 38 38 A G T > S+ 0 0 15 -2,-2.3 3,-1.4 1,-0.2 2,-1.0 0.465 81.8 150.8 119.3 8.2 15.2 -15.4 37.0 39 39 A A T < S+ 0 0 1 -3,-1.5 -1,-0.2 1,-0.3 -32,-0.1 -0.629 77.8 23.7 -68.4 101.8 14.0 -12.0 35.8 40 40 A G T 3 >S+ 0 0 4 -2,-1.0 5,-3.3 -25,-0.1 -1,-0.3 0.685 71.3 126.7 107.6 25.6 11.1 -13.2 33.6 41 41 A V T < 5S+ 0 0 112 -3,-1.4 -2,-0.1 3,-0.2 3,-0.1 0.795 88.6 47.1 -67.8 -34.1 10.1 -16.6 34.9 42 42 A G T 5S+ 0 0 29 -4,-0.3 278,-0.2 1,-0.2 -1,-0.1 0.858 109.3 51.1 -72.8 -39.6 6.7 -14.9 35.0 43 43 A A T 5S- 0 0 2 -29,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.555 116.7-120.6 -69.5 -11.4 7.1 -13.6 31.5 44 44 A S T 5 + 0 0 47 1,-0.2 2,-0.5 -4,-0.2 -3,-0.2 0.875 69.5 133.1 69.4 42.4 8.0 -17.2 30.5 45 45 A I < - 0 0 21 -5,-3.3 -1,-0.2 -7,-0.1 -2,-0.1 -0.971 47.5-143.2-123.4 111.2 11.5 -16.3 29.3 46 46 A T > - 0 0 76 -2,-0.5 4,-1.0 1,-0.1 3,-0.1 -0.288 18.3-120.9 -70.9 158.4 14.3 -18.5 30.5 47 47 A D H > S+ 0 0 37 1,-0.2 4,-1.8 2,-0.2 3,-0.2 0.849 112.2 56.0 -67.9 -34.7 17.8 -17.2 31.3 48 48 A D H > S+ 0 0 128 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.805 101.9 56.5 -71.1 -30.7 19.5 -19.4 28.7 49 49 A A H > S+ 0 0 38 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.816 109.0 47.0 -67.3 -34.1 17.2 -18.0 26.0 50 50 A L H X>S+ 0 0 0 -4,-1.0 5,-1.1 2,-0.2 4,-0.9 0.855 111.4 51.5 -70.2 -38.4 18.5 -14.6 26.9 51 51 A T H <5S+ 0 0 60 -4,-1.8 -2,-0.2 3,-0.2 -3,-0.2 0.809 102.7 58.7 -69.4 -33.5 22.1 -15.9 26.9 52 52 A A H <5S+ 0 0 90 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.866 105.7 49.9 -59.5 -39.6 21.6 -17.4 23.4 53 53 A A H <5S- 0 0 15 -4,-0.9 -1,-0.2 -5,-0.1 -2,-0.2 0.753 134.2 -91.8 -70.2 -28.2 20.8 -13.9 22.2 54 54 A G T <5S+ 0 0 40 -4,-0.9 -21,-0.5 1,-0.2 2,-0.3 0.718 76.2 138.4 120.3 40.6 24.0 -12.6 23.9 55 55 A A E < -c 33 0A 6 -5,-1.1 -1,-0.2 -8,-0.2 2,-0.2 -0.853 46.5-128.2-111.3 144.5 23.1 -11.5 27.4 56 56 A T E -c 34 0A 86 -23,-2.5 -21,-2.1 -2,-0.3 2,-0.6 -0.597 20.2-133.5 -80.9 150.8 25.0 -12.0 30.7 57 57 A I E -c 35 0A 47 -2,-0.2 -21,-0.2 -23,-0.2 2,-0.1 -0.950 19.7-155.1-108.8 113.3 23.1 -13.4 33.7 58 58 A A E -c 36 0A 8 -23,-4.4 -21,-0.7 -2,-0.6 3,-0.1 -0.444 15.7-133.5 -78.2 159.2 23.8 -11.5 36.9 59 59 A S S S+ 0 0 62 -23,-0.2 -22,-0.4 -2,-0.1 2,-0.2 0.948 81.5 7.0 -74.9 -53.5 23.4 -13.1 40.3 60 60 A T S > S- 0 0 60 -24,-0.1 4,-1.4 1,-0.0 5,-0.1 -0.701 78.5 -99.5-127.5 173.1 21.4 -10.4 42.0 61 61 A A H > S+ 0 0 20 -2,-0.2 4,-1.8 2,-0.2 5,-0.1 0.835 120.9 49.6 -60.5 -37.0 19.6 -7.0 41.3 62 62 A A H > S+ 0 0 38 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.915 108.8 49.0 -72.8 -47.5 22.6 -5.1 42.6 63 63 A Q H 4 S+ 0 0 116 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.752 112.8 51.4 -63.8 -26.9 25.3 -6.9 40.6 64 64 A A H < S+ 0 0 2 -4,-1.4 3,-0.3 1,-0.1 -2,-0.2 0.913 118.8 33.9 -71.1 -47.3 23.1 -6.4 37.5 65 65 A L H >< S+ 0 0 5 -4,-1.8 3,-1.7 1,-0.2 26,-1.0 0.643 95.7 86.8 -84.4 -18.3 22.7 -2.6 38.1 66 66 A S T 3< S+ 0 0 59 -4,-2.1 -1,-0.2 1,-0.3 -3,-0.1 0.818 103.0 25.4 -60.9 -40.7 26.1 -1.7 39.6 67 67 A Q T 3 S+ 0 0 122 -4,-0.4 2,-0.7 -3,-0.3 -1,-0.3 -0.120 93.0 134.5-111.1 35.1 28.1 -1.1 36.4 68 68 A A < - 0 0 0 -3,-1.7 23,-0.3 1,-0.2 -65,-0.2 -0.772 33.9-178.1 -98.8 109.1 25.0 -0.2 34.3 69 69 A D S S+ 0 0 63 -67,-1.8 26,-1.3 -2,-0.7 2,-0.3 0.782 83.9 28.2 -69.6 -30.1 25.2 2.8 32.0 70 70 A V E S-bd 3 95A 0 -68,-1.6 -66,-2.2 24,-0.2 2,-0.4 -0.987 71.7-164.4-131.0 143.3 21.6 2.2 31.0 71 71 A V E -bd 4 96A 0 24,-3.4 26,-1.9 -2,-0.3 2,-0.5 -0.982 1.0-164.9-132.1 122.2 18.8 0.6 33.1 72 72 A W E + d 0 97A 0 -68,-2.0 2,-0.3 -2,-0.4 -55,-0.2 -0.924 17.9 162.8-107.1 124.0 15.5 -0.7 31.7 73 73 A K E - 0 0 4 24,-2.4 26,-0.2 -2,-0.5 -57,-0.1 -0.837 35.4-145.3-128.1 169.5 12.6 -1.5 34.0 74 74 A V E S+ 0 0 0 -2,-0.3 25,-1.8 24,-0.2 -1,-0.1 0.836 87.7 37.9 -96.6 -59.6 8.8 -1.9 33.6 75 75 A Q E S- d 0 99A 30 23,-0.2 25,-0.1 -60,-0.1 3,-0.1 -0.454 101.1 -90.4 -81.7 162.0 7.6 -0.4 36.9 76 76 A R - 0 0 45 23,-0.5 -1,-0.1 -2,-0.1 -2,-0.1 -0.401 55.6 -95.5 -58.6 146.6 9.1 2.6 38.6 77 77 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.373 42.5-103.7 -64.1 152.0 11.9 1.7 41.0 78 78 A M - 0 0 20 6,-0.1 9,-1.2 -3,-0.1 8,-0.9 -0.578 30.8-131.4 -75.5 136.0 11.0 1.3 44.7 79 79 A T > - 0 0 16 -2,-0.3 4,-0.6 6,-0.2 3,-0.3 -0.355 28.5-104.9 -74.4 166.9 12.0 4.1 47.0 80 80 A A T >4 S+ 0 0 56 1,-0.2 3,-1.1 2,-0.2 5,-0.1 0.890 122.9 56.3 -60.0 -42.3 13.8 3.3 50.3 81 81 A E T 34 S+ 0 0 184 1,-0.2 -1,-0.2 3,-0.1 4,-0.1 0.830 97.8 63.0 -54.8 -37.7 10.5 4.0 52.2 82 82 A E T 34 S- 0 0 70 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.681 128.8 -85.5 -69.6 -19.8 8.8 1.3 50.0 83 83 A G S << S+ 0 0 55 -3,-1.1 2,-0.4 -4,-0.6 -3,-0.1 -0.402 103.6 34.6 155.0 -64.0 11.0 -1.4 51.4 84 84 A T S S- 0 0 85 -5,-0.3 2,-2.1 0, 0.0 3,-0.2 -0.987 77.9-120.3-127.6 129.7 14.3 -1.8 49.5 85 85 A D > + 0 0 73 -2,-0.4 4,-0.8 1,-0.2 3,-0.3 -0.430 43.4 160.1 -75.4 78.7 16.3 1.2 48.0 86 86 A E H > S+ 0 0 16 -2,-2.1 4,-1.3 -8,-0.9 3,-0.3 0.802 71.1 63.7 -66.9 -31.6 16.3 0.1 44.4 87 87 A V H 4 S+ 0 0 2 -9,-1.2 -1,-0.2 1,-0.2 3,-0.1 0.878 101.6 51.9 -60.5 -37.6 17.0 3.7 43.3 88 88 A A H 4 S+ 0 0 32 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.764 100.1 61.8 -71.2 -29.1 20.3 3.4 45.2 89 89 A L H < S+ 0 0 61 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.894 86.5 87.2 -61.8 -41.5 21.3 0.2 43.4 90 90 A I S < S- 0 0 1 -4,-1.3 -24,-0.1 -3,-0.1 -21,-0.1 -0.406 95.7-105.9 -62.5 131.3 21.3 2.0 40.0 91 91 A K > - 0 0 68 -26,-1.0 3,-2.2 -23,-0.3 2,-0.6 -0.349 33.2-108.8 -62.1 135.6 24.7 3.6 39.4 92 92 A E T 3 S+ 0 0 124 1,-0.3 24,-0.2 -4,-0.1 25,-0.2 -0.586 111.8 34.8 -69.8 114.1 24.8 7.4 39.9 93 93 A G T 3 S+ 0 0 48 -2,-0.6 -1,-0.3 22,-0.5 24,-0.1 0.218 92.8 127.4 117.7 -9.4 25.1 8.7 36.3 94 94 A A < - 0 0 0 -3,-2.2 24,-2.1 -24,-0.1 2,-0.6 -0.221 60.4-119.6 -76.4 168.6 23.0 5.9 34.7 95 95 A V E -de 70 118A 22 -26,-1.3 -24,-3.4 22,-0.2 2,-0.3 -0.946 26.3-159.0-114.8 111.5 20.0 6.3 32.4 96 96 A L E -de 71 119A 0 -2,-0.6 24,-2.7 22,-0.5 2,-0.3 -0.684 9.0-175.4 -92.4 144.2 16.8 4.8 33.7 97 97 A M E +de 72 120A 0 -26,-1.9 -24,-2.4 -2,-0.3 2,-0.3 -0.897 30.6 100.0-143.2 110.6 13.8 3.9 31.4 98 98 A C E S- e 0 121A 0 22,-1.5 2,-1.8 -2,-0.3 24,-1.7 -0.972 81.3 -63.5-167.5 173.6 10.4 2.7 32.6 99 99 A H E +d 75 0A 59 -25,-1.8 -23,-0.5 -2,-0.3 22,-0.1 -0.618 53.9 174.8 -67.8 87.9 6.8 3.6 33.4 100 100 A L - 0 0 3 -2,-1.8 5,-0.2 -25,-0.1 -1,-0.2 0.780 31.2-142.2 -67.0 -27.6 7.8 6.0 36.1 101 101 A G >> - 0 0 9 -3,-0.1 4,-2.2 3,-0.1 3,-1.1 0.926 33.5-178.6 58.2 46.8 4.2 7.2 36.7 102 102 A A T 34 + 0 0 11 1,-0.3 7,-0.2 2,-0.2 6,-0.1 0.833 63.1 53.3 -52.9 -55.3 6.0 10.5 37.1 103 103 A L T 34 S+ 0 0 151 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.740 118.2 38.1 -59.5 -28.6 3.1 12.9 37.9 104 104 A T T <4 S+ 0 0 121 -3,-1.1 2,-1.5 1,-0.2 -1,-0.2 0.930 113.5 53.8 -77.6 -55.1 1.9 10.7 40.8 105 105 A N >X + 0 0 34 -4,-2.2 4,-1.1 -5,-0.2 3,-0.5 -0.527 56.0 152.9 -97.1 72.3 5.1 9.5 42.3 106 106 A R H 3> + 0 0 165 -2,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.846 68.7 62.8 -68.2 -38.8 7.2 12.5 43.0 107 107 A P H 3> S+ 0 0 75 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.781 102.4 52.8 -56.9 -28.8 9.3 11.0 45.9 108 108 A V H <> S+ 0 0 5 -3,-0.5 4,-1.4 2,-0.2 -2,-0.2 0.905 109.7 46.9 -68.5 -44.6 10.7 8.5 43.3 109 109 A V H X S+ 0 0 19 -4,-1.1 4,-1.8 1,-0.2 -1,-0.2 0.803 105.6 61.3 -69.5 -32.5 11.8 11.3 41.0 110 110 A E H X S+ 0 0 113 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.920 104.8 47.5 -54.8 -49.5 13.3 13.2 44.0 111 111 A A H X S+ 0 0 28 -4,-1.2 4,-1.1 1,-0.2 -2,-0.2 0.856 109.6 52.4 -63.8 -39.3 15.7 10.3 44.6 112 112 A L H <>S+ 0 0 0 -4,-1.4 5,-2.3 1,-0.2 -1,-0.2 0.830 111.0 47.9 -67.0 -35.0 16.7 10.0 40.9 113 113 A T H ><5S+ 0 0 82 -4,-1.8 3,-1.1 1,-0.2 -2,-0.2 0.857 104.8 61.9 -68.2 -37.4 17.5 13.8 41.0 114 114 A K H 3<5S+ 0 0 182 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.783 111.9 34.9 -62.4 -31.5 19.5 13.3 44.2 115 115 A R T 3<5S- 0 0 67 -4,-1.1 -22,-0.5 -3,-0.1 -1,-0.3 -0.267 113.2-101.5-125.6 47.6 22.1 11.0 42.6 116 116 A K T < 5 + 0 0 149 -3,-1.1 2,-0.5 -24,-0.2 -3,-0.2 0.715 63.8 156.3 53.3 35.4 22.5 12.2 39.0 117 117 A I < - 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