==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 12-JUL-05 2A9O . COMPND 2 MOLECULE: RESPONSE REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR A.RIBOLDI-TUNNICLIFFE,N.W.ISAACS,T.J.MITCHELL . 117 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6474.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 76.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 17.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 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 . 9 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 41.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 0 0 0 0 0 1 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 K 0 0 139 0, 0.0 25,-2.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 150.8 24.5 30.9 -3.5 2 3 A K E -a 26 0A 38 23,-0.2 44,-2.5 42,-0.2 45,-1.2 -0.857 360.0-164.1-111.0 128.0 22.8 29.6 -0.4 3 4 A I E -ab 27 47A 0 23,-3.0 25,-2.9 -2,-0.5 2,-0.6 -0.941 9.0-152.9-110.5 125.7 19.5 30.8 1.1 4 5 A L E -ab 28 48A 0 43,-2.5 45,-3.2 -2,-0.5 2,-0.7 -0.866 13.5-160.8 -88.5 117.3 18.2 30.0 4.5 5 6 A I E -ab 29 49A 1 23,-3.1 25,-2.5 -2,-0.6 2,-0.7 -0.886 4.3-166.6-101.0 112.9 14.3 30.1 4.5 6 7 A V E +ab 30 50A 2 43,-3.5 45,-2.4 -2,-0.7 2,-0.3 -0.869 30.0 128.7-103.8 109.0 12.9 30.6 8.0 7 8 A D - 0 0 2 23,-2.3 6,-0.1 -2,-0.7 47,-0.1 -0.865 47.1-149.6-159.4 135.1 9.1 29.9 8.3 8 9 A D S S+ 0 0 64 45,-0.4 2,-0.9 -2,-0.3 23,-0.1 0.631 82.6 83.2 -80.1 -14.9 7.0 27.7 10.7 9 10 A E > - 0 0 102 1,-0.2 4,-3.0 2,-0.0 3,-0.4 -0.785 67.1-159.0 -92.8 108.8 4.4 27.0 8.0 10 11 A K H > S+ 0 0 112 -2,-0.9 4,-3.1 1,-0.2 5,-0.2 0.857 88.2 55.6 -51.9 -44.1 5.6 24.2 5.9 11 12 A P H > S+ 0 0 89 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.904 112.8 43.1 -58.4 -39.5 3.4 25.0 2.8 12 13 A I H > S+ 0 0 27 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.939 114.1 51.0 -71.4 -47.2 4.8 28.6 2.7 13 14 A S H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.894 110.4 49.6 -51.3 -47.5 8.3 27.2 3.3 14 15 A D H X S+ 0 0 68 -4,-3.1 4,-2.9 -5,-0.2 -1,-0.2 0.890 107.6 53.1 -60.3 -45.4 7.8 24.7 0.4 15 16 A I H X S+ 0 0 83 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.935 113.4 43.7 -57.2 -47.8 6.6 27.4 -2.0 16 17 A I H X S+ 0 0 2 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.916 113.6 50.1 -67.4 -44.5 9.6 29.6 -1.4 17 18 A K H X S+ 0 0 87 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.925 109.6 52.3 -55.9 -49.2 12.0 26.6 -1.5 18 19 A F H X S+ 0 0 116 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.946 113.6 43.5 -52.2 -53.6 10.5 25.5 -4.9 19 20 A N H X S+ 0 0 25 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.893 114.5 47.6 -64.4 -42.0 11.0 28.9 -6.4 20 21 A M H <>S+ 0 0 1 -4,-2.9 5,-2.4 2,-0.2 4,-0.2 0.879 111.9 51.6 -68.5 -36.7 14.5 29.5 -5.0 21 22 A T H ><5S+ 0 0 76 -4,-2.6 3,-2.6 -5,-0.2 -2,-0.2 0.952 107.1 52.0 -57.9 -49.7 15.6 26.0 -6.2 22 23 A K H 3<5S+ 0 0 165 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.852 106.6 56.5 -60.2 -32.0 14.2 26.7 -9.7 23 24 A E T 3<5S- 0 0 84 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.530 124.4-104.6 -73.9 -9.5 16.3 29.9 -9.6 24 25 A G T < 5S+ 0 0 61 -3,-2.6 2,-0.2 1,-0.3 -3,-0.2 0.517 74.1 136.4 98.6 2.2 19.6 27.9 -8.9 25 26 A Y < - 0 0 31 -5,-2.4 2,-0.5 -8,-0.1 -1,-0.3 -0.591 57.5-122.4 -83.2 147.3 20.0 28.6 -5.2 26 27 A E E -a 2 0A 119 -25,-2.4 -23,-3.0 -2,-0.2 2,-0.4 -0.779 36.2-148.6 -76.9 129.0 20.9 26.0 -2.6 27 28 A V E +a 3 0A 25 -2,-0.5 2,-0.3 -25,-0.2 -23,-0.2 -0.877 21.6 179.7-109.3 131.6 18.1 26.0 -0.1 28 29 A V E -a 4 0A 18 -25,-2.9 -23,-3.1 -2,-0.4 2,-0.3 -0.958 17.1-153.0-119.0 149.2 18.3 25.3 3.7 29 30 A T E -a 5 0A 32 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.927 14.7-174.5-125.6 148.9 15.1 25.5 5.8 30 31 A A E -a 6 0A 0 -25,-2.5 -23,-2.3 -2,-0.3 3,-0.1 -0.989 10.8-161.6-137.8 144.8 14.3 26.2 9.5 31 32 A F S S+ 0 0 59 -2,-0.3 2,-0.3 -25,-0.2 -25,-0.1 0.380 73.1 20.1-112.9 3.2 10.9 26.0 11.1 32 33 A N S > S- 0 0 23 22,-0.1 4,-2.5 -25,-0.1 24,-0.2 -0.954 86.5 -94.9-157.2 173.7 11.4 28.0 14.3 33 34 A G H > S+ 0 0 0 22,-2.2 4,-2.1 24,-0.6 5,-0.2 0.821 121.5 51.9 -66.2 -31.4 13.7 30.7 15.7 34 35 A R H > S+ 0 0 121 21,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.959 111.9 45.5 -66.7 -51.7 15.9 28.2 17.5 35 36 A E H > S+ 0 0 69 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.875 108.9 59.6 -54.0 -39.8 16.4 26.2 14.2 36 37 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.935 109.4 41.4 -57.2 -52.3 17.0 29.5 12.4 37 38 A L H X S+ 0 0 35 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.906 115.2 50.5 -63.6 -44.5 20.0 30.4 14.6 38 39 A E H X S+ 0 0 118 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.944 113.9 44.6 -57.7 -45.7 21.3 26.8 14.5 39 40 A Q H X>S+ 0 0 58 -4,-3.4 4,-3.1 2,-0.2 5,-0.6 0.906 110.9 55.2 -67.3 -40.3 21.0 26.7 10.7 40 41 A F H X5S+ 0 0 14 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.952 112.6 41.9 -54.3 -49.2 22.6 30.1 10.4 41 42 A E H <5S+ 0 0 119 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.902 121.9 40.0 -67.3 -42.7 25.6 29.0 12.4 42 43 A A H <5S+ 0 0 77 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.891 126.9 30.7 -75.0 -42.4 26.0 25.6 10.7 43 44 A E H <5S- 0 0 60 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.740 81.3-149.1 -91.9 -26.6 25.2 26.7 7.1 44 45 A Q << - 0 0 151 -4,-2.1 -42,-0.2 -5,-0.6 -4,-0.1 0.983 26.6-153.8 49.1 63.7 26.5 30.3 6.9 45 46 A P - 0 0 9 0, 0.0 -42,-0.2 0, 0.0 3,-0.1 -0.218 19.3-133.7 -62.7 158.2 23.8 31.2 4.3 46 47 A D S S+ 0 0 62 -44,-2.5 2,-0.3 1,-0.3 -43,-0.2 0.656 91.1 8.9 -80.7 -22.6 24.4 34.0 1.8 47 48 A I E -b 3 0A 0 -45,-1.2 -43,-2.5 25,-0.1 2,-0.5 -0.964 67.5-145.1-157.9 143.7 21.0 35.4 2.6 48 49 A I E -bc 4 74A 0 25,-2.5 27,-3.2 -2,-0.3 2,-0.6 -0.965 2.4-157.0-113.8 131.5 18.1 34.7 5.1 49 50 A I E -bc 5 75A 2 -45,-3.2 -43,-3.5 -2,-0.5 2,-0.6 -0.941 27.7-159.1-103.3 125.0 14.5 34.9 4.3 50 51 A L E -bc 6 76A 0 25,-3.0 27,-2.1 -2,-0.6 -43,-0.1 -0.888 19.4-160.9-130.7 104.3 12.9 35.5 7.7 51 52 A D - 0 0 5 -45,-2.4 27,-0.2 -2,-0.6 3,-0.1 -0.331 13.0-153.0 -65.1 157.8 9.3 34.9 8.9 52 53 A L S S+ 0 0 11 25,-0.2 7,-2.4 1,-0.2 2,-1.3 0.805 77.6 67.8-108.2 -49.8 8.5 36.8 12.2 53 54 A M S S+ 0 0 117 5,-0.2 -45,-0.4 6,-0.1 -1,-0.2 -0.658 74.6 146.5 -77.3 95.7 5.8 34.9 14.0 54 55 A L - 0 0 21 -2,-1.3 -22,-0.1 -3,-0.1 -23,-0.0 -0.958 49.7-105.4-126.4 150.5 7.8 31.7 14.9 55 56 A P S S+ 0 0 60 0, 0.0 2,-2.7 0, 0.0 -22,-2.2 -0.279 95.9 9.4 -61.5 158.4 8.0 29.2 17.8 56 57 A E S S+ 0 0 124 -24,-0.2 2,-0.4 -23,-0.2 -24,-0.0 -0.268 137.1 18.1 75.2 -60.8 10.8 29.3 20.4 57 58 A I S S- 0 0 51 -2,-2.7 -24,-0.6 3,-0.0 -21,-0.1 -0.985 84.0-126.4-143.8 128.1 12.3 32.7 19.3 58 59 A D > - 0 0 69 -2,-0.4 4,-2.4 1,-0.1 -5,-0.2 -0.396 29.2-105.8 -74.1 160.9 10.5 35.3 17.1 59 60 A G H > S+ 0 0 0 -7,-2.4 4,-3.1 2,-0.2 5,-0.2 0.792 117.9 56.7 -54.8 -35.6 12.0 36.6 13.9 60 61 A L H > S+ 0 0 43 -8,-0.3 4,-3.3 2,-0.2 -1,-0.2 0.957 110.4 44.9 -64.0 -46.6 12.8 40.0 15.4 61 62 A E H > S+ 0 0 79 2,-0.2 4,-3.2 1,-0.2 -2,-0.2 0.896 112.3 52.7 -59.7 -42.2 14.9 38.3 18.1 62 63 A V H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.959 113.3 43.2 -57.8 -52.3 16.4 36.1 15.5 63 64 A A H X S+ 0 0 0 -4,-3.1 4,-2.7 2,-0.2 -2,-0.2 0.946 114.0 50.6 -58.4 -48.6 17.4 39.2 13.4 64 65 A K H X S+ 0 0 76 -4,-3.3 4,-0.8 1,-0.2 -2,-0.2 0.935 114.4 45.9 -54.2 -46.5 18.6 41.1 16.5 65 66 A T H >X S+ 0 0 53 -4,-3.2 3,-1.4 1,-0.2 4,-0.5 0.948 111.1 49.8 -65.7 -48.5 20.7 38.0 17.5 66 67 A I H >X S+ 0 0 1 -4,-3.1 4,-2.3 1,-0.3 3,-1.7 0.899 103.1 62.5 -56.1 -41.0 22.2 37.4 14.1 67 68 A R H 3< S+ 0 0 65 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.720 87.9 71.5 -64.4 -19.1 23.2 41.1 13.9 68 69 A K H << S+ 0 0 145 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 0.832 120.6 12.3 -58.4 -32.2 25.5 40.7 16.9 69 70 A T H << S+ 0 0 105 -3,-1.7 2,-0.4 -4,-0.5 -2,-0.2 0.630 122.9 46.2-120.2 -18.4 27.9 38.7 14.7 70 71 A S < - 0 0 33 -4,-2.3 -1,-0.2 2,-0.1 0, 0.0 -0.972 42.7-158.6-140.5 146.0 27.0 39.0 11.1 71 72 A S + 0 0 109 -2,-0.4 3,-0.1 -3,-0.1 -4,-0.1 -0.018 46.0 149.9-102.5 25.9 26.0 41.4 8.3 72 73 A V - 0 0 12 -6,-0.2 -25,-0.1 1,-0.1 -26,-0.1 -0.354 59.4 -97.8 -59.4 134.9 24.4 38.5 6.3 73 74 A P - 0 0 26 0, 0.0 -25,-2.5 0, 0.0 2,-0.5 -0.326 41.7-161.5 -53.9 133.5 21.5 40.0 4.3 74 75 A I E -c 48 0A 0 19,-0.3 21,-3.0 -27,-0.2 22,-1.3 -0.976 11.6-171.3-124.2 123.3 18.2 39.5 5.9 75 76 A L E -cd 49 96A 0 -27,-3.2 -25,-3.0 -2,-0.5 22,-0.2 -0.936 16.9-148.4-107.3 106.9 14.9 39.8 4.0 76 77 A M E -cd 50 97A 0 20,-2.6 22,-3.1 -2,-0.6 2,-0.4 -0.567 14.2-174.1 -74.9 140.4 11.9 39.7 6.4 77 78 A L E + d 0 98A 0 -27,-2.1 2,-0.3 -2,-0.2 -25,-0.2 -0.929 22.6 147.8-138.9 110.8 8.8 38.0 4.9 78 79 A S E - d 0 99A 1 20,-2.1 22,-2.4 -2,-0.4 -27,-0.1 -0.969 59.1-131.3-149.4 148.4 5.7 38.3 7.2 79 80 A A S S+ 0 0 61 -2,-0.3 2,-0.6 20,-0.3 -1,-0.1 0.732 88.5 99.3 -65.0 -26.1 1.9 38.6 7.3 80 81 A K + 0 0 87 1,-0.1 -2,-0.2 5,-0.1 20,-0.0 -0.560 47.4 163.7 -65.0 111.3 2.6 41.4 9.8 81 82 A D + 0 0 102 -2,-0.6 -1,-0.1 18,-0.1 18,-0.1 0.226 20.0 124.2-121.5 12.9 2.3 44.4 7.6 82 83 A S S > S- 0 0 47 1,-0.1 4,-2.2 4,-0.0 5,-0.2 -0.253 70.9-113.0 -76.1 161.4 1.9 47.5 9.9 83 84 A E H > S+ 0 0 164 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.908 120.5 52.9 -54.5 -44.6 4.1 50.6 9.7 84 85 A F H > S+ 0 0 141 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.926 108.2 49.7 -60.5 -44.8 5.4 49.7 13.1 85 86 A D H > S+ 0 0 29 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.947 113.9 44.4 -59.5 -49.2 6.3 46.1 12.0 86 87 A K H X S+ 0 0 76 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.933 115.2 47.6 -63.4 -49.2 8.2 47.2 9.0 87 88 A V H X S+ 0 0 65 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.938 114.4 44.8 -61.4 -47.0 10.1 50.0 10.8 88 89 A I H X S+ 0 0 44 -4,-2.8 4,-2.8 -5,-0.3 -1,-0.2 0.923 112.5 53.7 -65.0 -41.8 11.1 47.9 13.8 89 90 A G H X>S+ 0 0 0 -4,-2.6 5,-2.0 -5,-0.3 4,-0.6 0.961 113.7 41.6 -53.5 -55.8 12.1 45.0 11.4 90 91 A L H ><5S+ 0 0 81 -4,-2.9 3,-1.1 1,-0.2 -1,-0.2 0.897 114.4 51.2 -64.2 -40.9 14.4 47.3 9.4 91 92 A E H 3<5S+ 0 0 142 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.861 104.0 57.2 -68.1 -32.3 15.8 49.1 12.4 92 93 A L H 3<5S- 0 0 53 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.622 135.9 -84.4 -68.7 -13.4 16.7 45.8 14.1 93 94 A G T <<5S+ 0 0 18 -3,-1.1 -19,-0.3 -4,-0.6 -3,-0.2 0.438 77.5 144.7 126.5 -0.8 18.8 45.1 11.0 94 95 A A < - 0 0 7 -5,-2.0 -1,-0.3 -6,-0.2 -19,-0.2 -0.427 37.8-152.7 -61.4 140.0 16.6 43.6 8.2 95 96 A D S S+ 0 0 81 -21,-3.0 2,-0.3 1,-0.3 -20,-0.2 0.645 77.7 4.1 -87.7 -21.2 17.7 44.8 4.8 96 97 A D E -d 75 0A 32 -22,-1.3 -20,-2.6 -7,-0.1 2,-0.3 -0.963 62.1-151.4-158.4 163.1 14.3 44.4 3.3 97 98 A Y E -d 76 0A 18 -2,-0.3 2,-0.4 -22,-0.2 -20,-0.2 -0.941 13.0-176.1-150.1 117.7 10.7 43.5 4.5 98 99 A V E -d 77 0A 11 -22,-3.1 -20,-2.1 -2,-0.3 2,-0.2 -0.920 18.4-132.9-119.7 141.4 8.1 41.9 2.3 99 100 A T E -d 78 0A 38 -2,-0.4 -20,-0.3 -22,-0.2 -18,-0.1 -0.638 28.1 -86.3-101.3 151.9 4.6 41.2 3.3 100 101 A K S S+ 0 0 29 -22,-2.4 2,-0.1 -2,-0.2 3,-0.0 -0.827 106.1 51.2 -91.7 138.6 2.4 38.1 2.9 101 102 A P S S+ 0 0 134 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.499 89.8 178.1 -76.2 151.1 0.7 37.3 0.6 102 103 A F - 0 0 45 -2,-0.1 2,-0.5 -4,-0.1 -2,-0.1 -0.841 33.8-111.8-125.3 161.3 3.7 37.8 -1.8 103 104 A S > - 0 0 56 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 -0.774 17.9-147.1 -90.4 128.3 4.7 37.5 -5.4 104 105 A N H > S+ 0 0 62 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 0.913 101.1 49.2 -58.5 -44.2 7.2 34.8 -6.2 105 106 A R H > S+ 0 0 208 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.918 110.9 48.2 -63.9 -42.9 8.7 36.8 -8.9 106 107 A E H > S+ 0 0 80 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.944 111.3 51.6 -65.3 -42.6 9.0 39.9 -6.7 107 108 A L H X S+ 0 0 2 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.940 110.4 49.7 -55.2 -51.3 10.6 37.8 -3.9 108 109 A Q H X S+ 0 0 27 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.914 111.2 48.6 -48.7 -49.0 13.1 36.4 -6.5 109 110 A A H X S+ 0 0 54 -4,-2.4 4,-3.2 1,-0.2 -2,-0.2 0.887 110.9 49.8 -64.3 -39.1 13.9 39.9 -7.7 110 111 A R H X S+ 0 0 88 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.873 109.2 51.8 -72.2 -34.2 14.4 41.2 -4.1 111 112 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.954 112.6 45.7 -63.4 -49.9 16.7 38.3 -3.3 112 113 A K H X S+ 0 0 124 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.946 113.2 51.2 -56.2 -47.1 18.8 39.1 -6.4 113 114 A A H X S+ 0 0 37 -4,-3.2 4,-0.9 1,-0.2 -2,-0.2 0.924 112.0 45.2 -58.5 -44.3 18.7 42.8 -5.5 114 115 A L H >< S+ 0 0 22 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.915 113.7 49.6 -65.3 -44.1 20.0 42.1 -1.9 115 116 A L H 3< S+ 0 0 32 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.889 97.8 68.7 -58.1 -41.0 22.7 39.7 -3.2 116 117 A R H 3< 0 0 172 -4,-2.5 -1,-0.2 1,-0.4 -2,-0.2 0.794 360.0 360.0 -52.0 -37.3 23.8 42.4 -5.8 117 118 A R << 0 0 253 -4,-0.9 -1,-0.4 -3,-0.7 -2,-0.1 -0.184 360.0 360.0 -86.1 360.0 25.0 44.3 -2.7