==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 11-SEP-09 3JTE . COMPND 2 MOLECULE: RESPONSE REGULATOR RECEIVER PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM ATCC 27405; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,R.TORO,J.M.SAUDER,S.K.BURLEY,S.C.ALM . 126 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6891.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 96 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 17.5 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 . 8 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 41.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 1 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 2 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 3 A L 0 0 175 0, 0.0 25,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 163.0 33.1 47.7 15.6 2 4 A A - 0 0 17 23,-0.5 25,-3.2 1,-0.0 2,-0.5 -0.398 360.0-140.7 -68.9 146.0 33.2 44.1 14.3 3 5 A K E -a 27 0A 28 44,-0.3 46,-2.8 23,-0.2 47,-1.4 -0.956 18.8-169.5-113.8 123.7 32.8 41.5 17.0 4 6 A I E -ab 28 50A 0 23,-2.9 25,-3.2 -2,-0.5 2,-0.5 -0.931 13.4-152.5-117.1 135.2 34.9 38.4 16.7 5 7 A L E -ab 29 51A 0 45,-2.4 47,-3.0 -2,-0.4 2,-0.5 -0.918 16.1-164.7-103.9 123.4 34.6 35.1 18.6 6 8 A V E -ab 30 52A 2 23,-2.9 25,-2.2 -2,-0.5 2,-0.5 -0.946 2.8-165.1-114.5 130.5 37.9 33.3 19.0 7 9 A I E +ab 31 53A 2 45,-2.8 47,-1.5 -2,-0.5 2,-0.3 -0.952 26.5 134.6-119.5 118.4 38.1 29.6 20.0 8 10 A D - 0 0 3 23,-2.1 6,-0.1 -2,-0.5 49,-0.1 -0.939 46.3-141.6-159.4 137.0 41.4 28.0 21.2 9 11 A D S S+ 0 0 68 -2,-0.3 2,-0.8 1,-0.1 23,-0.1 0.412 83.1 87.1 -82.9 2.8 42.1 25.7 24.2 10 12 A E >> - 0 0 107 1,-0.2 4,-2.8 2,-0.0 3,-0.6 -0.873 65.6-158.1-107.8 103.2 45.5 27.4 24.8 11 13 A S H 3> S+ 0 0 77 -2,-0.8 4,-2.6 1,-0.3 -1,-0.2 0.832 91.3 49.5 -43.5 -49.8 45.0 30.4 27.1 12 14 A T H 3> S+ 0 0 95 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.878 113.2 47.0 -63.2 -38.2 48.2 32.1 26.0 13 15 A I H <> S+ 0 0 58 -3,-0.6 4,-2.8 2,-0.2 5,-0.3 0.934 111.9 50.6 -67.4 -45.6 47.4 31.7 22.3 14 16 A L H X S+ 0 0 7 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.902 112.3 48.3 -57.3 -42.4 43.9 32.9 23.0 15 17 A Q H X S+ 0 0 106 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.917 111.2 48.7 -65.2 -46.4 45.4 35.9 24.8 16 18 A N H X S+ 0 0 103 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.921 113.6 46.6 -61.0 -46.0 47.9 36.7 22.0 17 19 A I H X S+ 0 0 19 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.903 111.2 51.8 -64.3 -41.8 45.2 36.5 19.3 18 20 A K H X S+ 0 0 56 -4,-2.2 4,-2.3 -5,-0.3 5,-0.2 0.931 110.1 49.6 -59.8 -45.9 42.8 38.7 21.3 19 21 A F H X S+ 0 0 134 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.927 112.2 47.3 -57.9 -49.3 45.4 41.3 21.8 20 22 A L H X S+ 0 0 54 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.911 113.2 48.5 -60.4 -44.9 46.3 41.4 18.1 21 23 A L H <>S+ 0 0 0 -4,-2.7 5,-2.2 2,-0.2 -1,-0.2 0.834 110.0 50.6 -68.2 -32.4 42.6 41.6 17.1 22 24 A E H ><5S+ 0 0 88 -4,-2.3 3,-1.5 3,-0.2 -1,-0.2 0.904 110.3 50.1 -71.0 -39.2 41.8 44.4 19.5 23 25 A I H 3<5S+ 0 0 122 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.842 106.0 58.1 -63.4 -34.0 44.8 46.3 18.1 24 26 A D T 3<5S- 0 0 64 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.465 129.0 -97.9 -75.9 -2.8 43.4 45.6 14.7 25 27 A G T < 5S+ 0 0 36 -3,-1.5 -23,-0.5 1,-0.3 2,-0.3 0.725 79.5 129.3 94.6 24.4 40.1 47.4 15.7 26 28 A N < - 0 0 14 -5,-2.2 2,-0.5 -8,-0.1 -1,-0.3 -0.798 57.7-128.7-113.1 153.4 37.9 44.5 16.7 27 29 A E E -a 3 0A 96 -25,-3.2 -23,-2.9 -2,-0.3 2,-0.4 -0.845 39.0-151.8 -92.4 134.3 35.8 43.7 19.8 28 30 A V E -a 4 0A 13 -2,-0.5 2,-0.4 -25,-0.2 -23,-0.2 -0.941 22.6-173.0-123.7 133.0 36.8 40.2 20.9 29 31 A L E -a 5 0A 43 -25,-3.2 -23,-2.9 -2,-0.4 2,-0.3 -0.911 19.4-157.8-112.1 142.6 35.0 37.3 22.7 30 32 A T E -a 6 0A 42 -2,-0.4 2,-0.4 -25,-0.2 -23,-0.2 -0.930 14.2-172.9-127.7 151.2 37.1 34.3 23.6 31 33 A A E -a 7 0A 1 -25,-2.2 -23,-2.1 -2,-0.3 -2,-0.0 -0.995 12.9-163.7-141.1 131.3 36.4 30.6 24.5 32 34 A S S S+ 0 0 57 -2,-0.4 2,-0.3 -25,-0.2 -21,-0.1 0.359 78.5 41.6 -96.5 4.9 38.8 28.0 25.7 33 35 A S S > S- 0 0 39 1,-0.1 4,-2.5 24,-0.1 5,-0.1 -0.981 81.5-118.3-147.7 155.0 36.6 25.0 24.9 34 36 A S H > S+ 0 0 4 24,-0.4 4,-2.5 -2,-0.3 5,-0.2 0.852 114.7 48.4 -62.5 -38.6 34.4 24.0 22.0 35 37 A T H > S+ 0 0 79 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.924 111.8 48.2 -70.0 -43.6 31.3 23.9 24.1 36 38 A E H > S+ 0 0 50 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.922 112.3 52.4 -61.2 -41.1 32.0 27.3 25.7 37 39 A G H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.950 111.6 42.9 -59.1 -51.7 32.6 28.5 22.1 38 40 A L H X S+ 0 0 23 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.807 114.2 53.9 -66.0 -27.7 29.3 27.2 20.8 39 41 A R H X S+ 0 0 129 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.971 111.0 42.7 -69.5 -54.9 27.5 28.5 23.9 40 42 A I H X S+ 0 0 27 -4,-2.9 4,-0.8 1,-0.2 -2,-0.2 0.891 115.3 52.7 -58.0 -39.6 28.8 32.0 23.6 41 43 A F H >< S+ 0 0 1 -4,-2.5 3,-1.0 -5,-0.3 4,-0.5 0.938 107.5 49.6 -62.8 -47.8 28.1 31.9 19.9 42 44 A T H >< S+ 0 0 76 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.903 111.0 50.4 -57.4 -42.2 24.5 30.7 20.3 43 45 A E H 3< S+ 0 0 133 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.621 125.6 27.2 -73.1 -13.0 23.9 33.6 22.8 44 46 A N T XX S+ 0 0 51 -3,-1.0 3,-2.0 -4,-0.8 4,-1.9 0.091 75.9 128.3-136.2 24.2 25.3 36.1 20.4 45 47 A C T <4 S+ 0 0 31 -3,-0.8 -3,-0.1 -4,-0.5 -2,-0.1 0.676 77.1 52.4 -57.1 -18.2 24.7 34.6 17.0 46 48 A N T 34 S+ 0 0 152 -4,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.547 115.6 36.1 -96.7 -8.0 23.0 37.9 15.9 47 49 A S T <4 S+ 0 0 50 -3,-2.0 2,-0.3 -45,-0.0 -44,-0.3 0.523 92.1 97.5-118.4 -11.7 25.9 40.3 16.9 48 50 A I < - 0 0 0 -4,-1.9 -44,-0.2 -7,-0.2 3,-0.1 -0.623 45.8-175.4 -80.3 136.3 29.0 38.2 16.1 49 51 A D + 0 0 30 -46,-2.8 28,-0.7 1,-0.3 2,-0.3 0.759 66.5 14.3-101.8 -31.5 30.5 39.0 12.7 50 52 A V E -bc 4 77A 0 -47,-1.4 -45,-2.4 26,-0.1 2,-0.5 -0.999 57.8-153.9-147.7 142.7 33.3 36.4 12.4 51 53 A V E -bc 5 78A 0 26,-2.3 28,-3.3 -2,-0.3 2,-0.5 -0.972 10.8-169.8-118.2 132.4 34.2 33.2 14.3 52 54 A I E +bc 6 79A 0 -47,-3.0 -45,-2.8 -2,-0.5 2,-0.3 -0.988 14.1 167.3-121.6 126.7 37.8 32.0 14.3 53 55 A T E -bc 7 80A 1 26,-2.3 28,-2.4 -2,-0.5 -45,-0.2 -0.981 37.4-112.8-139.9 152.2 38.6 28.6 15.7 54 56 A D E - c 0 81A 4 -47,-1.5 28,-0.2 -2,-0.3 3,-0.0 -0.513 29.5-125.7 -76.7 151.8 41.6 26.2 15.7 55 57 A M S S+ 0 0 4 26,-2.4 7,-3.2 -2,-0.1 2,-0.6 0.856 97.2 57.0 -68.1 -33.6 41.0 23.1 13.5 56 58 A K + 0 0 107 25,-0.3 -1,-0.1 5,-0.2 5,-0.1 -0.881 63.4 149.5-108.1 123.4 41.9 20.9 16.5 57 59 A M - 0 0 17 -2,-0.6 -24,-0.1 -49,-0.1 5,-0.0 -0.975 50.4 -93.4-142.7 150.2 40.0 21.2 19.8 58 60 A P S S- 0 0 71 0, 0.0 2,-3.0 0, 0.0 -24,-0.4 -0.325 100.6 -5.2 -65.0 152.2 39.3 18.6 22.4 59 61 A K S S+ 0 0 196 -25,-0.1 2,-0.5 -26,-0.1 -26,-0.0 -0.286 137.0 41.2 65.1 -65.4 35.9 16.8 22.1 60 62 A L S S- 0 0 55 -2,-3.0 -26,-0.1 4,-0.0 -25,-0.0 -0.972 80.9-149.3-117.6 122.7 34.6 18.8 19.2 61 63 A S > - 0 0 34 -2,-0.5 4,-2.9 -5,-0.1 -5,-0.2 -0.172 35.9 -95.0 -80.3 177.5 37.0 19.7 16.4 62 64 A G H > S+ 0 0 0 -7,-3.2 4,-2.9 1,-0.2 5,-0.1 0.823 128.1 56.8 -62.4 -29.5 36.9 22.8 14.2 63 65 A M H > S+ 0 0 5 -8,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.928 109.0 43.6 -66.3 -46.0 35.0 20.7 11.7 64 66 A D H > S+ 0 0 57 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.934 115.0 49.9 -64.2 -45.9 32.3 19.9 14.3 65 67 A I H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.928 110.7 50.4 -57.6 -47.8 32.3 23.5 15.4 66 68 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.955 109.4 50.3 -55.9 -53.6 31.9 24.7 11.8 67 69 A R H X S+ 0 0 88 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.871 111.1 48.6 -55.1 -41.1 29.0 22.3 11.1 68 70 A E H X S+ 0 0 85 -4,-2.2 4,-1.3 1,-0.2 3,-0.2 0.903 110.1 51.1 -68.0 -40.5 27.1 23.4 14.2 69 71 A I H X S+ 0 0 0 -4,-2.3 4,-3.4 1,-0.2 3,-0.3 0.910 106.9 54.5 -62.4 -41.8 27.6 27.1 13.5 70 72 A K H < S+ 0 0 44 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.803 104.8 54.0 -62.4 -31.4 26.3 26.6 9.9 71 73 A K H < S+ 0 0 153 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.837 117.4 36.6 -72.4 -32.1 23.1 25.0 11.2 72 74 A I H < S+ 0 0 73 -4,-1.3 -2,-0.2 -3,-0.3 -3,-0.1 0.936 136.8 16.3 -83.0 -55.0 22.4 28.0 13.4 73 75 A T >< - 0 0 22 -4,-3.4 3,-1.8 -5,-0.2 -1,-0.3 -0.848 68.5-169.4-125.2 92.6 23.6 30.8 11.2 74 76 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.717 87.5 41.6 -52.2 -28.7 24.0 29.5 7.6 75 77 A H T 3 S+ 0 0 123 2,-0.1 2,-0.2 47,-0.0 -5,-0.1 0.296 81.5 128.3-108.0 10.8 25.8 32.6 6.4 76 78 A M < - 0 0 17 -3,-1.8 2,-0.5 -7,-0.2 -26,-0.1 -0.447 61.9-121.1 -68.9 135.4 28.2 33.2 9.4 77 79 A A E -c 50 0A 10 -28,-0.7 -26,-2.3 -2,-0.2 2,-0.5 -0.678 31.0-173.1 -80.4 123.1 31.8 33.5 8.4 78 80 A V E -c 51 0A 0 -2,-0.5 21,-2.5 19,-0.3 22,-1.2 -0.980 4.9-167.5-121.4 123.4 34.0 30.9 10.0 79 81 A I E -cd 52 100A 0 -28,-3.3 -26,-2.3 -2,-0.5 2,-0.5 -0.939 7.4-156.8-110.8 128.3 37.8 31.0 9.7 80 82 A I E -cd 53 101A 0 20,-2.1 22,-2.5 -2,-0.5 2,-0.6 -0.902 8.3-145.6-110.5 131.7 39.8 28.0 10.8 81 83 A L E -cd 54 102A 9 -28,-2.4 -26,-2.4 -2,-0.5 2,-0.3 -0.828 27.4-163.6 -93.1 123.1 43.5 28.1 11.8 82 84 A T E + d 0 103A 2 20,-2.4 22,-2.8 -2,-0.6 2,-0.1 -0.839 16.5 170.5-116.2 149.5 45.2 24.9 10.6 83 85 A G > - 0 0 23 -2,-0.3 3,-1.5 1,-0.2 4,-0.3 -0.278 51.5 -13.3-126.2-148.4 48.4 23.1 11.4 84 86 A H T 3 S+ 0 0 181 1,-0.2 -1,-0.2 2,-0.1 0, 0.0 -0.319 127.2 3.8 -62.3 132.6 50.1 19.8 10.7 85 87 A G T 3 S+ 0 0 57 1,-0.1 4,-0.3 -3,-0.1 3,-0.3 0.369 102.1 101.4 76.4 -4.1 47.9 17.1 9.3 86 88 A D <> + 0 0 13 -3,-1.5 4,-2.8 1,-0.2 5,-0.2 0.556 48.7 97.4 -88.6 -8.2 44.8 19.4 9.0 87 89 A L H > S+ 0 0 75 -4,-0.3 4,-2.3 1,-0.2 5,-0.2 0.880 83.0 48.2 -47.3 -52.1 45.1 20.0 5.3 88 90 A D H > S+ 0 0 128 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.928 115.6 44.6 -57.6 -46.5 42.6 17.4 4.2 89 91 A N H > S+ 0 0 71 -4,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.842 109.2 57.5 -67.0 -33.9 40.1 18.6 6.8 90 92 A A H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.924 108.3 46.0 -62.2 -45.3 40.7 22.2 5.8 91 93 A I H X S+ 0 0 63 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.923 113.0 50.0 -63.4 -44.1 39.8 21.5 2.2 92 94 A L H X S+ 0 0 68 -4,-2.1 4,-1.2 1,-0.2 3,-0.5 0.913 106.5 56.3 -60.7 -41.6 36.8 19.6 3.3 93 95 A A H <>S+ 0 0 0 -4,-2.8 5,-2.7 1,-0.3 4,-0.4 0.887 102.6 54.8 -57.6 -40.9 35.8 22.5 5.6 94 96 A M H ><5S+ 0 0 79 -4,-1.8 3,-0.6 1,-0.3 -1,-0.3 0.840 110.4 46.0 -62.6 -32.2 35.9 24.9 2.6 95 97 A K H 3<5S+ 0 0 156 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.666 108.5 59.1 -81.7 -16.3 33.4 22.5 0.9 96 98 A E T 3<5S- 0 0 75 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.420 130.4 -89.3 -90.5 -0.9 31.4 22.5 4.1 97 99 A G T < 5S+ 0 0 33 -3,-0.6 -19,-0.3 -4,-0.4 -3,-0.2 0.554 73.1 151.4 106.6 7.5 30.9 26.2 4.1 98 100 A A < - 0 0 9 -5,-2.7 -1,-0.3 -6,-0.1 -19,-0.2 -0.416 43.5-138.2 -69.4 151.7 33.9 27.6 6.0 99 101 A F S S- 0 0 49 -21,-2.5 2,-0.3 1,-0.3 -20,-0.2 0.916 70.7 -32.7 -77.5 -44.5 34.9 31.1 4.9 100 102 A E E -d 79 0A 59 -22,-1.2 -20,-2.1 2,-0.0 2,-0.4 -0.972 50.1-136.9-168.0 158.4 38.7 30.5 4.8 101 103 A Y E -d 80 0A 70 -2,-0.3 2,-0.5 -22,-0.2 -20,-0.2 -0.979 14.8-153.7-126.1 144.2 41.4 28.5 6.5 102 104 A L E -d 81 0A 12 -22,-2.5 -20,-2.4 -2,-0.4 2,-0.3 -0.980 13.8-134.9-121.1 122.7 44.8 30.0 7.5 103 105 A R E -d 82 0A 181 -2,-0.5 -20,-0.2 -22,-0.2 -22,-0.1 -0.569 43.5 -75.8 -78.8 135.5 47.8 27.8 7.8 104 106 A K S S+ 0 0 82 -22,-2.8 2,-0.1 -2,-0.3 -1,-0.1 -0.450 112.5 51.8 -74.8 148.1 50.0 28.4 10.8 105 107 A P S S- 0 0 120 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 0.454 83.5-164.6 -75.2 137.9 52.0 30.3 11.6 106 108 A V - 0 0 40 -4,-0.1 2,-0.2 -2,-0.1 -2,-0.1 -0.758 7.5-140.5 -95.1 137.0 49.3 32.9 10.8 107 109 A T > - 0 0 64 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.526 22.1-115.6 -92.0 160.7 50.3 36.6 10.5 108 110 A A H > S+ 0 0 51 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.870 119.9 52.4 -60.1 -36.2 48.5 39.7 11.7 109 111 A Q H > S+ 0 0 144 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.927 106.2 52.1 -65.4 -46.4 48.1 40.6 8.0 110 112 A D H > S+ 0 0 59 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.922 114.5 43.3 -52.8 -49.7 46.6 37.2 7.1 111 113 A L H X S+ 0 0 2 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.920 112.8 50.0 -65.1 -48.2 44.0 37.6 9.9 112 114 A S H X S+ 0 0 37 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.891 113.0 47.8 -60.7 -40.4 43.2 41.2 9.2 113 115 A I H X S+ 0 0 87 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.952 112.9 47.2 -65.6 -49.8 42.7 40.6 5.5 114 116 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.912 113.5 48.6 -58.6 -44.0 40.5 37.5 6.1 115 117 A I H X S+ 0 0 3 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.906 110.3 51.1 -64.1 -41.8 38.4 39.3 8.7 116 118 A N H X S+ 0 0 102 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.905 111.3 47.9 -62.1 -42.5 38.0 42.3 6.4 117 119 A N H X S+ 0 0 74 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.879 110.5 52.2 -66.2 -37.3 36.8 40.1 3.6 118 120 A A H X S+ 0 0 1 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.913 110.2 48.0 -64.8 -42.8 34.4 38.3 5.9 119 121 A I H X S+ 0 0 34 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.897 109.4 53.3 -65.5 -40.1 32.9 41.6 7.0 120 122 A N H X S+ 0 0 89 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.926 108.2 50.7 -60.2 -44.2 32.5 42.7 3.4 121 123 A R H X S+ 0 0 116 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.920 108.3 51.9 -60.4 -43.3 30.6 39.5 2.6 122 124 A K H X S+ 0 0 63 -4,-2.1 4,-0.7 1,-0.2 3,-0.3 0.918 109.2 50.5 -59.8 -42.1 28.3 40.1 5.6 123 125 A K H >< S+ 0 0 125 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.865 105.5 55.7 -64.7 -35.6 27.6 43.6 4.3 124 126 A L H 3< S+ 0 0 134 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.832 107.9 51.1 -64.5 -30.8 26.8 42.3 0.8 125 127 A L H 3< 0 0 85 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.595 360.0 360.0 -83.0 -12.6 24.2 40.0 2.4 126 128 A M << 0 0 160 -3,-0.7 -3,-0.0 -4,-0.7 0, 0.0 -0.299 360.0 360.0 -63.4 360.0 22.4 42.7 4.4