==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-OCT-03 1R9P . COMPND 2 MOLECULE: NIFU-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR T.A.RAMELOT,J.R.CORT,R.XIAO,R.SHASTRY,T.B.ACTON, . 134 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10190.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 82 61.2 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 . 21 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 8 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 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 . 1 0 0 0 0 0 0 2 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 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 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 0 203 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.9 -33.6 13.4 -3.6 2 2 A A - 0 0 92 1,-0.1 0, 0.0 3,-0.1 0, 0.0 0.357 360.0 -74.3 56.1 155.2 -35.9 16.3 -2.6 3 3 A Y S S+ 0 0 231 2,-0.1 -1,-0.1 0, 0.0 0, 0.0 0.961 112.7 89.9 -46.6 -62.7 -39.2 15.5 -0.8 4 4 A S + 0 0 73 1,-0.1 3,-0.1 2,-0.1 0, 0.0 -0.063 51.6 170.2 -37.3 120.4 -40.8 14.2 -4.0 5 5 A E + 0 0 168 1,-0.1 -1,-0.1 2,-0.0 -3,-0.1 -0.242 48.8 87.8-133.9 48.1 -39.9 10.5 -3.9 6 6 A K S S+ 0 0 160 3,-0.0 -1,-0.1 0, 0.0 -2,-0.1 0.419 76.1 70.8-122.6 -4.2 -42.1 9.0 -6.7 7 7 A V + 0 0 106 -3,-0.1 -2,-0.0 2,-0.0 0, 0.0 0.047 62.9 72.2 -93.3-152.5 -39.7 9.5 -9.7 8 8 A I + 0 0 120 1,-0.2 3,-0.1 2,-0.1 4,-0.1 0.869 49.7 177.0 44.5 99.9 -36.4 7.7 -10.4 9 9 A D + 0 0 124 1,-0.1 -1,-0.2 2,-0.1 -2,-0.0 -0.204 65.0 58.7-126.4 44.1 -37.5 4.2 -11.4 10 10 A H S S- 0 0 161 3,-0.0 -1,-0.1 0, 0.0 -2,-0.1 0.281 99.7-115.2-150.4 5.5 -34.2 2.5 -12.3 11 11 A Y - 0 0 199 1,-0.1 2,-1.0 -3,-0.1 -2,-0.1 0.632 49.5 -71.7 59.7 129.1 -32.1 2.8 -9.1 12 12 A E S S+ 0 0 159 -4,-0.1 -1,-0.1 1,-0.0 -4,-0.0 -0.280 71.9 174.9 -53.2 95.5 -29.0 4.9 -9.3 13 13 A N - 0 0 125 -2,-1.0 2,-0.1 -3,-0.0 -2,-0.0 -0.850 31.8-111.2-109.8 145.9 -26.9 2.6 -11.5 14 14 A P - 0 0 119 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.404 25.0-174.9 -71.7 145.3 -23.5 3.3 -13.0 15 15 A R + 0 0 232 -2,-0.1 2,-0.2 2,-0.0 -2,-0.0 -0.056 56.8 74.1-132.1 34.2 -23.2 3.8 -16.8 16 16 A N - 0 0 122 1,-0.2 4,-0.1 2,-0.0 5,-0.0 -0.695 65.3-133.3-132.8-173.2 -19.4 4.1 -17.3 17 17 A V - 0 0 117 2,-0.5 -1,-0.2 -2,-0.2 -2,-0.0 0.257 58.9 -57.8-114.4-119.5 -16.3 1.9 -17.2 18 18 A G S S+ 0 0 34 39,-0.0 2,-0.3 -2,-0.0 39,-0.1 0.353 112.8 68.8-113.0 4.1 -13.0 2.5 -15.5 19 19 A S S S- 0 0 18 1,-0.2 -2,-0.5 27,-0.0 27,-0.1 -0.799 72.5-135.5-119.4 163.8 -12.2 5.8 -17.2 20 20 A L S S- 0 0 84 -2,-0.3 -1,-0.2 -4,-0.1 -3,-0.1 0.964 88.6 -30.1 -82.1 -65.0 -13.8 9.3 -16.9 21 21 A D S S- 0 0 117 3,-0.1 -1,-0.0 -5,-0.0 -2,-0.0 0.124 73.2-117.3-141.2 20.7 -14.0 10.4 -20.6 22 22 A K S S+ 0 0 171 1,-0.2 3,-0.1 2,-0.0 5,-0.1 0.689 80.6 128.2 50.6 10.3 -11.0 8.6 -22.2 23 23 A K - 0 0 139 1,-0.2 -1,-0.2 3,-0.0 4,-0.0 0.466 57.6-152.1 -75.4 3.5 -9.9 12.3 -22.8 24 24 A D + 0 0 21 1,-0.2 -1,-0.2 2,-0.1 -3,-0.1 -0.258 59.1 121.0 58.4-146.6 -6.6 11.3 -21.2 25 25 A S S S+ 0 0 53 96,-0.3 -1,-0.2 1,-0.1 3,-0.1 0.429 102.6 15.8 71.5 -7.8 -4.9 14.3 -19.5 26 26 A N S S+ 0 0 51 1,-0.1 21,-1.9 19,-0.1 2,-0.3 0.224 109.5 82.9 178.3 30.1 -5.1 12.2 -16.3 27 27 A V E -A 46 0A 4 19,-0.2 2,-0.5 90,-0.1 19,-0.2 -0.715 52.9-164.5-149.1 94.9 -5.8 8.5 -17.2 28 28 A G E -A 45 0A 2 17,-0.5 17,-2.1 -2,-0.3 2,-0.4 -0.665 12.7-164.9 -82.1 126.1 -3.0 6.2 -18.3 29 29 A T E +A 44 0A 58 -2,-0.5 2,-0.3 88,-0.4 91,-0.2 -0.874 11.3 174.5-112.4 145.0 -4.3 3.0 -20.0 30 30 A G E +A 43 0A 5 13,-1.6 13,-2.5 -2,-0.4 2,-0.4 -0.947 9.2 177.3-151.0 127.1 -2.3 -0.2 -20.6 31 31 A M E +A 42 0A 123 -2,-0.3 11,-0.2 11,-0.2 2,-0.2 -0.835 15.5 164.7-133.6 98.4 -3.4 -3.6 -21.9 32 32 A V E -A 41 0A 38 9,-1.8 9,-2.1 -2,-0.4 2,-0.3 -0.618 17.3-154.2-107.5 170.7 -0.6 -6.2 -22.4 33 33 A G E -A 40 0A 38 7,-0.2 7,-0.2 -2,-0.2 3,-0.1 -0.958 11.1-142.0-141.4 160.1 -0.9 -10.0 -22.9 34 34 A A E >>> -A 39 0A 9 5,-1.4 4,-0.9 -2,-0.3 5,-0.9 -0.795 3.6-165.1-128.9 93.0 1.3 -13.0 -22.3 35 35 A P T 345S+ 0 0 134 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.675 87.8 67.0 -48.9 -16.1 1.1 -15.7 -25.0 36 36 A A T 345S+ 0 0 85 1,-0.2 -2,-0.0 3,-0.1 69,-0.0 0.981 118.5 16.3 -73.1 -57.2 2.8 -18.0 -22.5 37 37 A C T <45S- 0 0 28 -3,-0.7 -1,-0.2 2,-0.1 3,-0.1 0.162 100.8-126.3-100.9 19.5 -0.1 -18.2 -20.0 38 38 A G T <5 + 0 0 64 -4,-0.9 2,-0.4 1,-0.2 -5,-0.0 0.904 61.2 145.3 36.3 58.3 -2.6 -16.8 -22.5 39 39 A D E < -A 34 0A 5 -5,-0.9 -5,-1.4 23,-0.1 2,-0.6 -0.982 42.7-148.6-128.6 129.7 -3.6 -14.2 -20.0 40 40 A V E -AB 33 61A 70 21,-0.6 2,-0.6 -2,-0.4 21,-0.6 -0.833 11.8-163.7 -98.3 122.4 -4.7 -10.6 -20.8 41 41 A M E -AB 32 60A 6 -9,-2.1 -9,-1.8 -2,-0.6 2,-0.6 -0.894 5.7-174.2-108.5 115.7 -3.7 -8.0 -18.1 42 42 A Q E -AB 31 59A 78 17,-2.6 17,-0.5 -2,-0.6 2,-0.3 -0.904 5.5-173.5-111.0 113.6 -5.5 -4.6 -18.4 43 43 A L E -AB 30 58A 3 -13,-2.5 -13,-1.6 -2,-0.6 2,-0.4 -0.742 5.6-167.9-103.6 153.6 -4.3 -2.0 -15.9 44 44 A Q E -AB 29 57A 23 13,-1.9 13,-2.7 -2,-0.3 2,-0.3 -0.887 1.4-170.4-144.1 111.4 -6.0 1.5 -15.5 45 45 A I E -AB 28 56A 4 -17,-2.1 -17,-0.5 -2,-0.4 2,-0.4 -0.767 4.8-161.9-101.3 146.8 -4.3 4.3 -13.5 46 46 A K E -AB 27 55A 32 9,-1.9 9,-1.5 -2,-0.3 8,-0.8 -0.972 3.1-168.0-131.1 122.9 -6.2 7.5 -12.6 47 47 A V E + B 0 53A 6 -21,-1.9 6,-0.2 -2,-0.4 34,-0.0 -0.877 40.1 111.3-110.5 141.1 -4.5 10.8 -11.5 48 48 A D + 0 0 68 4,-2.3 2,-5.0 -2,-0.4 5,-0.1 0.221 45.2 97.0-172.5 -37.3 -6.4 13.7 -10.0 49 49 A D S S- 0 0 79 3,-0.9 4,-0.1 1,-0.2 -2,-0.0 -0.005 126.8 -58.6 -62.7 45.7 -5.3 14.2 -6.3 50 50 A N S S- 0 0 152 -2,-5.0 -1,-0.2 1,-0.2 3,-0.1 0.952 111.1 -35.5 78.5 51.2 -2.9 16.8 -7.7 51 51 A G S S+ 0 0 44 1,-0.3 31,-0.5 30,-0.1 2,-0.2 0.417 117.6 119.6 82.6 -5.8 -0.9 14.5 -10.0 52 52 A I B S-C 81 0B 49 29,-0.1 -4,-2.3 1,-0.1 2,-1.4 -0.581 81.4 -97.0 -90.8 156.5 -1.4 11.7 -7.5 53 53 A I E -B 47 0A 0 27,-2.4 26,-1.0 -6,-0.2 -6,-0.3 -0.534 36.7-173.1 -73.4 94.6 -3.1 8.4 -8.4 54 54 A E E S- 0 0 85 -2,-1.4 2,-0.3 -8,-0.8 -1,-0.2 0.809 70.9 -17.8 -59.7 -25.1 -6.6 9.2 -7.0 55 55 A D E -B 46 0A 64 -9,-1.5 -9,-1.9 -3,-0.1 2,-0.3 -0.987 59.1-150.1-169.2 168.5 -7.5 5.6 -7.8 56 56 A A E -B 45 0A 3 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.954 8.4-161.2-153.9 131.2 -6.4 2.5 -9.9 57 57 A K E -B 44 0A 92 -13,-2.7 -13,-1.9 -2,-0.3 2,-0.3 -0.729 7.2-166.4-110.9 163.1 -8.4 -0.3 -11.4 58 58 A F E +B 43 0A 93 -2,-0.3 -15,-0.2 -15,-0.2 2,-0.2 -0.930 11.1 179.9-142.1 166.6 -7.2 -3.8 -12.6 59 59 A K E +B 42 0A 130 -17,-0.5 -17,-2.6 -2,-0.3 2,-0.3 -0.571 23.2 133.9-171.9 101.4 -8.5 -6.7 -14.7 60 60 A T E +B 41 0A 15 -19,-0.2 2,-0.3 -2,-0.2 -19,-0.2 -0.989 13.3 164.0-154.1 143.4 -6.7 -9.9 -15.5 61 61 A Y E +B 40 0A 156 -21,-0.6 -21,-0.6 -2,-0.3 3,-0.1 -0.930 42.4 73.9-161.8 134.7 -7.5 -13.6 -15.5 62 62 A G S S+ 0 0 51 1,-0.7 -23,-0.1 -2,-0.3 -24,-0.0 -0.177 73.4 78.7 156.0 -52.9 -5.9 -16.8 -17.0 63 63 A C S S- 0 0 23 1,-0.1 -1,-0.7 43,-0.0 4,-0.3 -0.304 79.4-120.8 -78.0 168.3 -2.8 -17.7 -15.0 64 64 A G S S+ 0 0 81 -3,-0.1 -1,-0.1 2,-0.1 -3,-0.0 -0.120 105.1 20.2-101.5 38.8 -2.9 -19.5 -11.7 65 65 A S S >> S+ 0 0 57 34,-0.0 3,-3.3 3,-0.0 4,-1.1 0.225 101.8 76.4-166.3 -47.0 -1.1 -16.8 -9.8 66 66 A A H 3> S+ 0 0 5 1,-0.3 4,-2.0 2,-0.2 5,-0.3 0.883 82.4 76.7 -48.4 -37.6 -1.2 -13.4 -11.6 67 67 A I H 34 S+ 0 0 94 -4,-0.3 4,-0.4 1,-0.3 -1,-0.3 0.765 101.5 42.3 -47.5 -19.7 -4.8 -13.1 -10.4 68 68 A A H X> S+ 0 0 52 -3,-3.3 4,-1.7 2,-0.2 3,-1.0 0.837 101.9 64.2 -95.9 -40.3 -3.1 -12.3 -7.1 69 69 A S H 3X S+ 0 0 3 -4,-1.1 4,-1.8 1,-0.3 5,-0.5 0.897 98.1 59.4 -50.9 -38.7 -0.3 -10.0 -8.4 70 70 A S H 3X S+ 0 0 7 -4,-2.0 4,-1.4 1,-0.2 -1,-0.3 0.908 101.9 53.3 -58.9 -38.9 -3.1 -7.6 -9.5 71 71 A S H <> S+ 0 0 64 -3,-1.0 4,-2.3 -4,-0.4 -1,-0.2 0.928 113.1 43.8 -63.6 -41.9 -4.3 -7.4 -5.9 72 72 A L H >X S+ 0 0 31 -4,-1.7 4,-1.4 2,-0.2 3,-0.8 0.996 114.9 43.2 -66.6 -73.6 -0.7 -6.4 -4.7 73 73 A I H 3X S+ 0 0 3 -4,-1.8 4,-1.7 1,-0.3 -1,-0.2 0.814 117.8 52.4 -43.3 -28.7 0.3 -3.8 -7.4 74 74 A T H 3< S+ 0 0 5 -4,-1.4 -1,-0.3 -5,-0.5 -2,-0.2 0.912 111.5 42.0 -77.5 -41.5 -3.3 -2.5 -6.9 75 75 A E H << S+ 0 0 143 -4,-2.3 -2,-0.2 -3,-0.8 -1,-0.2 0.464 119.7 47.9 -83.6 2.1 -3.1 -2.2 -3.1 76 76 A W H < S+ 0 0 127 -4,-1.4 -2,-0.2 -5,-0.1 -1,-0.2 0.700 111.5 44.8-110.6 -30.3 0.5 -0.7 -3.6 77 77 A V S < S+ 0 0 5 -4,-1.7 2,-0.5 -5,-0.4 -1,-0.1 -0.290 83.2 113.4-109.2 50.2 -0.1 1.9 -6.3 78 78 A K S S- 0 0 74 -3,-0.2 -24,-0.1 1,-0.1 3,-0.1 -0.889 91.6 -5.7-123.8 104.6 -3.3 3.5 -5.0 79 79 A G S S+ 0 0 41 -26,-1.0 2,-0.1 -2,-0.5 -25,-0.1 0.538 106.7 117.9 93.0 6.1 -3.1 7.1 -3.8 80 80 A K S S- 0 0 106 -27,-0.1 -27,-2.4 1,-0.1 -1,-0.3 -0.465 70.9 -94.3 -98.7 175.2 0.7 7.2 -4.4 81 81 A S B >> -C 52 0B 45 -29,-0.2 4,-1.8 -2,-0.1 3,-1.7 -0.569 29.2-117.2 -88.2 154.5 2.7 9.3 -6.8 82 82 A L H 3> S+ 0 0 32 -31,-0.5 4,-2.7 1,-0.3 -1,-0.1 0.768 112.0 72.9 -61.8 -20.2 3.7 8.1 -10.3 83 83 A E H 34 S+ 0 0 157 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.849 105.6 35.7 -64.1 -30.0 7.3 8.4 -9.1 84 84 A E H X> S+ 0 0 116 -3,-1.7 4,-1.2 3,-0.1 3,-0.6 0.829 117.1 51.4 -91.6 -35.5 6.7 5.3 -7.0 85 85 A A H 3< S+ 0 0 1 -4,-1.8 2,-1.1 1,-0.3 4,-0.2 0.903 108.7 53.0 -68.8 -37.9 4.4 3.4 -9.4 86 86 A G T 3< S+ 0 0 34 -4,-2.7 -1,-0.3 -5,-0.2 -4,-0.1 -0.356 112.1 44.3 -93.4 57.6 6.9 3.9 -12.2 87 87 A A T <4 S+ 0 0 53 -2,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.298 74.1 95.0-163.3 -34.6 9.9 2.4 -10.3 88 88 A I S X>S- 0 0 29 -4,-1.2 4,-0.9 -3,-0.1 5,-0.7 0.716 73.1-167.5 -45.2 -14.1 8.7 -0.7 -8.5 89 89 A K H >5 - 0 0 144 -4,-0.2 4,-0.7 1,-0.2 -2,-0.1 0.099 36.7 -84.4 46.7-174.0 10.1 -2.3 -11.7 90 90 A N H >5S+ 0 0 41 2,-0.1 4,-1.6 1,-0.1 -1,-0.2 0.716 124.7 63.6 -97.9 -24.1 9.2 -6.0 -12.2 91 91 A S H >5S+ 0 0 77 2,-0.2 4,-1.5 3,-0.1 -2,-0.1 0.803 102.2 53.3 -70.6 -25.5 12.1 -7.5 -10.1 92 92 A Q H X5S+ 0 0 107 -4,-0.9 4,-2.0 2,-0.2 3,-0.5 0.992 109.7 41.8 -73.0 -65.4 10.6 -5.8 -7.0 93 93 A I H XS+ 0 0 18 -4,-1.6 4,-3.5 1,-0.2 5,-0.5 0.950 105.8 47.4 -59.7 -46.3 8.5 -10.5 -8.0 95 95 A E H <5S+ 0 0 147 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.837 107.8 57.8 -65.0 -28.5 10.5 -10.5 -4.8 96 96 A E H <5S+ 0 0 90 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.835 116.5 33.8 -71.5 -29.0 7.4 -9.5 -2.9 97 97 A L H <5S- 0 0 59 -4,-1.6 -2,-0.2 -3,-0.5 -1,-0.2 0.830 94.5-146.9 -93.7 -37.0 5.6 -12.6 -4.2 98 98 A E T <5 + 0 0 175 -4,-3.5 -3,-0.2 -5,-0.3 -4,-0.1 0.994 36.3 159.2 69.7 62.4 8.6 -15.0 -4.3 99 99 A L < - 0 0 39 -5,-0.5 -1,-0.2 1,-0.1 4,-0.1 -0.905 46.6 -82.5-120.1 149.3 7.6 -17.1 -7.4 100 100 A P - 0 0 75 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.131 37.9-119.1 -40.0 158.5 9.7 -19.2 -9.7 101 101 A P S > S+ 0 0 106 0, 0.0 3,-3.4 0, 0.0 4,-0.3 0.947 110.9 58.8 -72.0 -51.1 11.7 -17.5 -12.5 102 102 A V T 3 S+ 0 0 131 1,-0.3 3,-0.2 2,-0.1 0, 0.0 0.598 108.3 52.7 -58.0 -2.9 10.0 -19.3 -15.4 103 103 A K T >> S+ 0 0 109 -3,-0.4 3,-0.7 1,-0.1 4,-0.5 0.236 77.5 95.7-115.6 12.2 6.8 -17.9 -14.0 104 104 A V H <> + 0 0 44 -3,-3.4 4,-2.6 1,-0.2 5,-0.2 0.523 58.0 93.1 -80.2 -1.6 8.1 -14.2 -13.8 105 105 A H H 3> S+ 0 0 42 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.926 85.2 49.5 -57.6 -41.6 6.4 -13.6 -17.2 106 106 A C H <> S+ 0 0 10 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.952 109.0 51.5 -63.8 -46.8 3.2 -12.4 -15.4 107 107 A S H X S+ 0 0 3 -4,-0.5 4,-2.2 1,-0.2 5,-0.2 0.945 105.6 55.9 -56.4 -46.5 5.3 -10.1 -13.2 108 108 A I H X S+ 0 0 59 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.935 105.9 51.8 -52.9 -45.3 6.9 -8.6 -16.3 109 109 A L H X S+ 0 0 22 -4,-1.8 4,-1.4 -5,-0.2 -1,-0.2 0.949 105.9 54.6 -58.5 -46.6 3.4 -7.8 -17.6 110 110 A A H >X S+ 0 0 1 -4,-2.1 4,-1.8 2,-0.2 3,-0.5 0.962 114.7 39.4 -52.7 -53.4 2.5 -6.0 -14.4 111 111 A E H 3X S+ 0 0 44 -4,-2.2 4,-2.0 1,-0.2 5,-0.3 0.985 112.5 53.9 -61.9 -56.4 5.5 -3.7 -14.6 112 112 A D H 3X S+ 0 0 74 -4,-3.1 4,-1.6 -5,-0.2 -1,-0.2 0.748 107.9 57.3 -51.6 -17.8 5.3 -3.2 -18.4 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