==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 27-JAN-01 1HZZ . COMPND 2 MOLECULE: PROTON-TRANSLOCATING NICOTINAMIDE NUCLEOTIDE . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOSPIRILLUM RUBRUM; . AUTHOR N.P.J.COTTON,S.A.WHITE,S.J.PEAKE,S.MCSWEENEY,J.B.JACKSON . 902 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36088.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 639 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 115 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 4.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 80 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 142 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.0 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 6 2 0 2 5 2 0 1 1 0 1 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 6 11 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 0 PARALLEL BRIDGES PER LADDER . 5 2 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 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 45 0, 0.0 31,-0.9 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 99.1 28.5 0.4 27.9 2 2 A K E -a 32 0A 50 65,-0.4 67,-2.9 29,-0.2 68,-1.5 -0.544 360.0-172.7 -86.4 147.4 26.4 -2.1 30.0 3 3 A I E -ab 33 70A 0 29,-2.0 31,-2.4 65,-0.2 2,-0.3 -0.997 12.3-166.9-137.0 129.7 22.6 -2.1 30.2 4 4 A A E -ab 34 71A 0 66,-1.6 68,-2.0 -2,-0.4 31,-0.2 -0.884 19.5-148.6-127.0 156.3 20.8 -4.4 32.7 5 5 A I E -a 35 0A 1 29,-2.6 31,-2.6 -2,-0.3 68,-0.1 -0.930 19.6-161.0-123.0 106.4 17.4 -5.8 33.4 6 6 A P - 0 0 9 0, 0.0 2,-0.5 0, 0.0 11,-0.2 0.084 32.0 -92.7 -69.7-171.8 16.6 -6.5 37.1 7 7 A K - 0 0 68 9,-0.1 32,-0.1 28,-0.1 9,-0.1 -0.942 43.5-110.6-109.4 127.2 13.8 -8.8 38.2 8 8 A E - 0 0 8 -2,-0.5 65,-0.0 7,-0.4 -3,-0.0 -0.355 34.9-179.1 -59.3 130.2 10.5 -7.0 39.0 9 9 A R + 0 0 117 -2,-0.1 -1,-0.1 2,-0.1 3,-0.1 0.729 42.1 108.7-103.6 -31.4 9.8 -7.0 42.8 10 10 A R S > S- 0 0 37 1,-0.1 3,-1.7 2,-0.1 65,-0.0 -0.222 86.3 -88.4 -51.1 138.5 6.4 -5.2 43.2 11 11 A P T 3 S+ 0 0 132 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.211 107.7 10.6 -52.8 131.5 3.7 -7.7 44.1 12 12 A G T 3 S+ 0 0 58 1,-0.2 2,-0.6 -3,-0.1 -2,-0.1 0.303 87.8 131.9 84.3 -10.8 1.9 -9.3 41.2 13 13 A E < + 0 0 5 -3,-1.7 -1,-0.2 1,-0.2 29,-0.1 -0.678 17.9 162.0 -80.6 117.6 4.3 -8.1 38.5 14 14 A D + 0 0 83 -2,-0.6 29,-0.2 28,-0.1 2,-0.2 0.298 43.8 102.8-114.6 5.6 5.3 -10.9 36.2 15 15 A R - 0 0 16 27,-0.1 -7,-0.4 28,-0.1 2,-0.3 -0.504 51.4-161.8 -88.1 158.8 6.5 -8.8 33.3 16 16 A V - 0 0 2 304,-0.3 2,-2.0 2,-0.2 312,-0.3 -0.998 26.0-124.4-140.7 138.9 10.1 -8.1 32.5 17 17 A A S S+ 0 0 1 -2,-0.3 2,-0.3 -11,-0.2 55,-0.1 -0.265 84.3 59.7 -81.3 57.3 11.6 -5.4 30.4 18 18 A I + 0 0 0 -2,-2.0 -2,-0.2 -13,-0.0 310,-0.2 -0.986 48.3 177.5-172.5 162.0 13.5 -7.8 28.1 19 19 A S > - 0 0 5 -2,-0.3 4,-2.2 1,-0.1 3,-0.4 -0.973 44.2-101.9-164.5 160.0 13.4 -10.7 25.6 20 20 A P H > S+ 0 0 44 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.944 118.5 55.5 -54.5 -52.4 15.7 -12.7 23.4 21 21 A E H > S+ 0 0 107 1,-0.2 4,-1.0 2,-0.2 5,-0.0 0.855 114.3 41.7 -49.9 -39.0 14.8 -10.9 20.2 22 22 A V H > S+ 0 0 0 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.783 109.7 55.7 -82.2 -29.6 15.7 -7.6 21.9 23 23 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 -3,-0.2 3,-0.5 0.961 107.5 49.9 -67.2 -46.8 18.9 -8.8 23.6 24 24 A K H X S+ 0 0 127 -4,-2.6 4,-1.7 1,-0.3 -1,-0.2 0.899 113.8 47.2 -56.7 -38.7 20.3 -9.9 20.3 25 25 A K H X S+ 0 0 128 -4,-1.0 4,-0.7 -5,-0.3 -1,-0.3 0.756 110.1 51.3 -75.7 -24.9 19.4 -6.5 18.9 26 26 A L H >X>S+ 0 0 0 -4,-1.7 5,-1.4 -3,-0.5 4,-0.9 0.881 106.7 53.5 -77.6 -39.5 20.9 -4.6 21.9 27 27 A V H ><5S+ 0 0 61 -4,-2.8 3,-1.9 1,-0.3 -2,-0.2 0.955 104.4 57.9 -56.3 -47.4 24.2 -6.5 21.5 28 28 A G H 3<5S+ 0 0 70 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.808 102.2 53.7 -52.1 -33.2 24.1 -5.4 17.9 29 29 A L H <<5S- 0 0 44 -4,-0.7 -1,-0.3 -3,-0.6 315,-0.2 0.702 125.9-101.2 -76.4 -19.3 24.0 -1.8 19.1 30 30 A G T <<5S+ 0 0 30 -3,-1.9 -3,-0.2 -4,-0.9 2,-0.1 0.290 79.5 125.7 119.3 -11.5 27.1 -2.3 21.2 31 31 A F < - 0 0 7 -5,-1.4 2,-0.5 -29,-0.1 -1,-0.4 -0.479 57.2-132.7 -79.7 152.6 25.8 -2.8 24.8 32 32 A E E -a 2 0A 89 -31,-0.9 -29,-2.0 -2,-0.1 2,-0.5 -0.909 30.3-138.3 -99.0 128.6 26.6 -5.9 26.9 33 33 A V E -a 3 0A 0 -2,-0.5 23,-4.2 21,-0.3 2,-0.5 -0.822 19.5-170.3 -97.9 131.2 23.3 -7.0 28.2 34 34 A I E -ac 4 56A 21 -31,-2.4 -29,-2.6 -2,-0.5 2,-0.4 -0.978 4.3-176.0-121.0 125.3 23.0 -8.1 31.8 35 35 A V E -ac 5 57A 0 21,-3.0 23,-2.7 -2,-0.5 2,-0.1 -0.963 30.2-114.7-122.5 135.8 19.8 -9.7 33.1 36 36 A E E > - c 0 58A 5 -31,-2.6 3,-2.1 -2,-0.4 4,-0.3 -0.457 44.1-102.7 -65.9 137.0 19.1 -10.8 36.7 37 37 A Q T 3 S+ 0 0 85 21,-2.9 -1,-0.1 1,-0.3 24,-0.0 -0.207 108.4 16.8 -55.2 155.5 18.7 -14.6 36.9 38 38 A G T > S+ 0 0 14 1,-0.1 3,-1.8 -3,-0.1 4,-0.3 0.416 87.7 125.2 60.5 -3.9 15.1 -15.6 37.1 39 39 A A T < S+ 0 0 7 -3,-2.1 -31,-0.3 1,-0.3 4,-0.2 0.781 73.9 47.9 -57.0 -25.7 14.1 -12.2 35.9 40 40 A G T 3 >S+ 0 0 1 -4,-0.3 5,-2.0 5,-0.2 -1,-0.3 0.408 76.0 108.1 -98.9 4.9 12.1 -13.8 33.1 41 41 A V T X 5S+ 0 0 106 -3,-1.8 3,-1.6 1,-0.2 -1,-0.2 0.885 81.7 44.5 -47.2 -55.5 10.2 -16.4 35.0 42 42 A G T 3 5S+ 0 0 25 -4,-0.3 279,-0.3 1,-0.3 -1,-0.2 0.892 114.8 47.8 -59.3 -42.0 6.7 -14.8 34.8 43 43 A A T 3 5S- 0 0 5 -4,-0.2 -1,-0.3 -29,-0.2 -2,-0.2 0.192 114.0-119.5 -84.5 17.3 7.1 -13.9 31.2 44 44 A S T < 5 + 0 0 44 -3,-1.6 2,-0.6 1,-0.2 -3,-0.2 0.595 67.0 144.3 54.2 13.6 8.2 -17.5 30.6 45 45 A I < - 0 0 19 -5,-2.0 -1,-0.2 -27,-0.1 -5,-0.2 -0.742 41.4-143.8 -84.0 119.0 11.5 -16.1 29.3 46 46 A T > - 0 0 57 -2,-0.6 4,-1.1 -3,-0.1 5,-0.1 -0.414 15.7-126.9 -84.3 160.2 14.2 -18.5 30.3 47 47 A D H >> S+ 0 0 51 2,-0.2 4,-2.3 1,-0.2 3,-0.5 0.928 112.7 52.2 -67.9 -45.5 17.8 -17.6 31.4 48 48 A D H 3> S+ 0 0 132 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.845 108.1 52.0 -58.8 -37.1 19.2 -20.0 28.9 49 49 A A H 34 S+ 0 0 37 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.763 111.2 46.5 -71.5 -27.3 17.2 -18.4 26.2 50 50 A L H <<>S+ 0 0 1 -4,-1.1 5,-1.9 -3,-0.5 4,-0.4 0.789 112.6 52.6 -82.5 -29.9 18.5 -14.9 27.2 51 51 A T H ><5S+ 0 0 66 -4,-2.3 3,-3.7 1,-0.2 -2,-0.2 0.997 107.1 48.4 -64.8 -67.2 22.0 -16.5 27.3 52 52 A A T 3<5S+ 0 0 96 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.677 105.9 63.3 -48.5 -19.1 21.9 -17.9 23.8 53 53 A A T 3 5S- 0 0 12 -4,-0.3 -1,-0.3 -5,-0.2 -2,-0.2 0.695 125.1-100.2 -81.0 -20.2 20.6 -14.5 22.8 54 54 A G T < 5S+ 0 0 44 -3,-3.7 -21,-0.3 -4,-0.4 -3,-0.2 0.226 80.1 127.1 121.0 -13.2 23.9 -12.8 23.8 55 55 A A < - 0 0 7 -5,-1.9 2,-0.4 -23,-0.1 -1,-0.4 -0.254 53.9-126.7 -74.5 164.6 23.0 -11.4 27.2 56 56 A T E -c 34 0A 77 -23,-4.2 -21,-3.0 -2,-0.0 2,-0.4 -0.893 19.9-130.8-110.7 140.8 24.9 -12.0 30.4 57 57 A I E -c 35 0A 58 -2,-0.4 2,-0.4 -23,-0.2 -21,-0.2 -0.783 13.1-149.2-100.7 138.0 23.2 -13.3 33.6 58 58 A A E -c 36 0A 7 -23,-2.7 -21,-2.9 -2,-0.4 6,-0.1 -0.862 11.5-143.4-104.7 135.0 23.6 -11.8 37.0 59 59 A S S S+ 0 0 95 -2,-0.4 2,-0.3 -23,-0.2 -1,-0.1 0.871 85.1 20.8 -61.7 -41.1 23.4 -13.8 40.3 60 60 A T S > S- 0 0 57 1,-0.1 4,-1.3 -24,-0.0 -1,-0.1 -0.924 71.0-123.0-132.8 157.2 21.7 -10.9 42.1 61 61 A A H > S+ 0 0 15 -2,-0.3 4,-1.5 1,-0.2 3,-0.3 0.887 118.4 57.5 -60.0 -36.9 19.6 -7.8 41.4 62 62 A A H > S+ 0 0 49 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.914 107.7 44.5 -58.3 -46.9 22.3 -6.1 43.4 63 63 A Q H 4 S+ 0 0 100 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.643 106.9 66.4 -72.6 -17.6 25.0 -7.4 41.0 64 64 A A H >< S+ 0 0 1 -4,-1.3 3,-0.7 -3,-0.3 4,-0.5 0.988 109.4 27.3 -70.4 -63.5 22.8 -6.5 38.0 65 65 A L H 3< S+ 0 0 6 -4,-1.5 26,-1.6 1,-0.2 -1,-0.2 0.516 93.8 107.7 -78.6 -2.6 22.6 -2.7 38.0 66 66 A S T 3< S+ 0 0 59 -4,-0.5 -1,-0.2 -5,-0.3 -2,-0.1 0.596 101.7 2.8 -50.7 -19.6 26.0 -2.6 39.8 67 67 A Q S < S+ 0 0 116 -3,-0.7 -65,-0.4 -4,-0.1 -1,-0.2 0.344 93.9 135.8-145.4 -7.4 27.8 -1.3 36.6 68 68 A A - 0 0 0 -4,-0.5 -65,-0.2 1,-0.2 3,-0.1 -0.260 39.5-161.5 -54.0 125.6 24.9 -0.9 34.2 69 69 A D S S+ 0 0 52 -67,-2.9 26,-1.9 1,-0.3 2,-0.4 0.750 84.3 26.4 -78.0 -28.5 25.2 2.4 32.3 70 70 A V E S-bd 3 95A 0 -68,-1.5 -66,-1.6 24,-0.2 2,-0.5 -0.998 74.1-156.0-139.9 132.6 21.5 2.1 31.4 71 71 A V E -bd 4 96A 0 24,-3.4 26,-2.9 -2,-0.4 2,-0.5 -0.933 1.6-161.8-114.1 131.0 18.8 0.3 33.3 72 72 A W E + d 0 97A 0 -68,-2.0 2,-0.3 -2,-0.5 -55,-0.2 -0.920 20.2 161.6-110.2 132.1 15.5 -1.0 31.9 73 73 A K E - 0 0 6 24,-2.1 26,-0.3 -2,-0.5 -57,-0.1 -0.972 37.2-140.3-145.6 156.2 12.6 -1.8 34.2 74 74 A V E S+ 0 0 0 -2,-0.3 25,-2.5 24,-0.2 2,-0.2 0.963 87.3 29.8 -80.2 -63.7 8.9 -2.3 33.8 75 75 A Q E S- d 0 99A 44 23,-0.2 25,-0.2 1,-0.1 3,-0.1 -0.524 100.1 -82.9 -96.1 162.2 7.6 -0.5 36.9 76 76 A R - 0 0 40 23,-1.0 -1,-0.1 -2,-0.2 24,-0.1 -0.365 58.3 -95.9 -63.3 140.4 9.1 2.4 38.8 77 77 A P - 0 0 0 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.087 36.3-109.8 -56.3 152.9 11.8 1.4 41.4 78 78 A M - 0 0 26 6,-0.2 8,-3.4 -3,-0.1 9,-0.6 -0.778 28.5-142.7 -90.9 121.4 11.0 0.8 45.0 79 79 A T >>> - 0 0 11 -2,-0.6 3,-2.3 6,-0.3 4,-1.1 -0.332 30.9-104.2 -75.0 161.8 12.3 3.4 47.5 80 80 A A G >45S+ 0 0 65 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.919 124.1 63.8 -52.4 -40.6 13.6 2.3 50.9 81 81 A E G 345S+ 0 0 170 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.732 101.4 50.5 -53.9 -26.0 10.3 3.7 52.2 82 82 A E G <45S- 0 0 75 -3,-2.3 -1,-0.3 0, 0.0 -2,-0.2 0.712 133.6 -75.5 -89.3 -22.0 8.5 1.0 50.2 83 83 A G T <<5S+ 0 0 59 -4,-1.1 2,-0.2 -3,-1.1 -3,-0.2 -0.026 109.7 19.5 158.4 -45.8 10.4 -2.0 51.4 84 84 A T S > S+ 0 0 22 -8,-3.4 3,-2.7 1,-0.2 4,-1.1 0.760 73.2 69.4 -88.3 -32.0 16.2 -0.3 44.6 87 87 A V T 34 S+ 0 0 1 -9,-0.6 -1,-0.2 1,-0.3 -8,-0.1 0.713 90.7 68.4 -59.3 -16.5 17.2 3.2 43.5 88 88 A A T 34 S+ 0 0 42 1,-0.2 -1,-0.3 -4,-0.1 -2,-0.2 0.547 97.1 49.2 -79.3 -10.5 20.2 2.5 45.8 89 89 A L T <4 S+ 0 0 60 -3,-2.7 2,-0.3 2,-0.1 -2,-0.2 0.822 80.9 103.0 -95.4 -40.7 21.5 -0.2 43.4 90 90 A I S < S- 0 0 3 -4,-1.1 4,-0.2 1,-0.2 -24,-0.1 -0.249 88.2-109.9 -50.3 104.9 21.4 1.8 40.1 91 91 A K > - 0 0 68 -26,-1.6 3,-1.2 -2,-0.3 -1,-0.2 -0.126 43.3-107.4 -41.1 109.1 25.0 2.8 39.5 92 92 A E T 3 S+ 0 0 116 1,-0.2 24,-0.2 -4,-0.1 25,-0.1 -0.075 104.0 34.2 -42.8 135.1 24.8 6.6 40.1 93 93 A G T 3 S+ 0 0 48 22,-0.9 -1,-0.2 1,-0.3 24,-0.1 0.479 93.8 120.0 94.5 3.1 25.1 8.6 36.9 94 94 A A < - 0 0 0 -3,-1.2 24,-2.9 -4,-0.2 2,-0.4 -0.263 64.0-110.7 -92.7 178.6 23.2 6.1 34.7 95 95 A V E -de 70 118A 24 -26,-1.9 -24,-3.4 22,-0.2 2,-0.5 -0.950 26.6-164.1-115.3 133.7 20.0 6.3 32.7 96 96 A L E -de 71 119A 0 22,-2.8 24,-2.3 -2,-0.4 2,-0.4 -0.964 3.0-168.7-120.8 130.7 16.9 4.4 33.8 97 97 A M E +de 72 120A 0 -26,-2.9 -24,-2.1 -2,-0.5 2,-0.3 -0.965 30.6 98.1-121.6 137.4 13.9 3.8 31.5 98 98 A C E S- e 0 121A 0 22,-1.9 2,-2.3 -2,-0.4 24,-2.1 -0.977 81.2 -54.2 171.2 179.1 10.5 2.5 32.6 99 99 A H E +d 75 0A 65 -25,-2.5 -23,-1.0 -26,-0.3 22,-0.1 -0.585 59.1 168.7 -79.5 77.3 6.9 3.1 33.5 100 100 A L - 0 0 0 -2,-2.3 -1,-0.2 20,-0.2 8,-0.1 0.665 37.2-138.9 -69.4 -17.6 8.0 5.6 36.2 101 101 A G > + 0 0 14 -3,-0.2 3,-0.7 2,-0.1 -2,-0.1 0.963 34.7 179.0 54.2 48.5 4.5 6.8 36.7 102 102 A A G > + 0 0 5 1,-0.2 3,-2.7 2,-0.2 7,-0.2 0.938 61.5 53.1 -44.3 -89.6 6.1 10.2 36.9 103 103 A L G 3 S+ 0 0 143 1,-0.3 -1,-0.2 2,-0.1 3,-0.2 0.558 117.0 39.5 -25.8 -29.2 3.2 12.7 37.5 104 104 A T G < S+ 0 0 115 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.042 111.6 54.1-121.1 31.9 1.9 10.8 40.5 105 105 A N X> + 0 0 35 -3,-2.7 4,-1.4 1,-0.0 3,-1.4 -0.314 48.7 155.6-156.9 61.0 5.1 9.7 42.3 106 106 A R H 3> S+ 0 0 155 1,-0.3 4,-1.9 -3,-0.2 5,-0.2 0.830 70.7 71.0 -61.3 -30.9 7.3 12.7 43.0 107 107 A P H 3> S+ 0 0 66 0, 0.0 4,-0.7 0, 0.0 -1,-0.3 0.780 102.9 41.3 -58.3 -26.2 8.9 10.8 45.9 108 108 A V H <> S+ 0 0 2 -3,-1.4 4,-2.2 2,-0.2 5,-0.2 0.823 108.5 59.9 -87.8 -34.8 10.7 8.4 43.4 109 109 A V H X S+ 0 0 18 -4,-1.4 4,-0.6 1,-0.2 -1,-0.1 0.833 109.6 43.7 -60.6 -33.8 11.6 11.3 41.1 110 110 A E H X S+ 0 0 78 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.778 109.0 56.6 -82.1 -30.0 13.5 12.9 43.9 111 111 A A H X S+ 0 0 24 -4,-0.7 4,-0.8 -5,-0.2 3,-0.2 0.889 109.0 46.0 -67.8 -41.0 15.2 9.7 45.1 112 112 A L H <>S+ 0 0 0 -4,-2.2 5,-2.7 1,-0.2 -1,-0.2 0.763 108.6 60.6 -70.7 -26.0 16.6 9.1 41.6 113 113 A T H ><5S+ 0 0 33 -4,-0.6 3,-0.7 -5,-0.2 -2,-0.2 0.804 100.3 50.5 -72.1 -32.7 17.7 12.8 41.7 114 114 A K H 3<5S+ 0 0 149 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.733 108.8 53.7 -76.1 -22.9 19.9 12.4 44.7 115 115 A R T 3<5S- 0 0 71 -4,-0.8 -22,-0.9 -5,-0.1 -1,-0.2 0.392 113.3-125.6 -87.7 -0.4 21.6 9.5 43.0 116 116 A K T < 5 + 0 0 130 -3,-0.7 2,-0.3 1,-0.2 -3,-0.2 0.876 56.2 158.3 53.2 42.6 22.1 11.9 40.0 117 117 A I < - 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