==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION ACTIVATOR 06-AUG-98 1BOW . COMPND 2 MOLECULE: MULTIDRUG-EFFLUX TRANSPORTER 1 REGULATOR BMRR; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR E.E.ZHELEZNOVA,P.N.MARKHAM,A.A.NEYFAKH,R.G.BRENNAN . 143 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7865.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 102 71.3 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 . 48 33.6 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 . 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 . 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 . 19 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 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 . 0 0 1 0 3 1 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 0 0 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 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 R 0 0 99 0, 0.0 2,-0.5 0, 0.0 94,-0.3 0.000 360.0 360.0 360.0 11.9 29.9 -2.6 60.8 2 2 A L + 0 0 96 1,-0.2 94,-0.2 92,-0.1 3,-0.1 -0.967 360.0 18.7-126.4 114.4 32.5 0.1 61.7 3 3 A G S S+ 0 0 26 92,-1.9 2,-0.3 -2,-0.5 -1,-0.2 0.744 103.9 94.4 99.4 31.0 35.1 0.9 59.1 4 4 A E S S- 0 0 97 91,-0.3 91,-0.5 -3,-0.2 -1,-0.3 -0.986 74.7-106.3-154.9 143.7 33.4 -0.6 56.0 5 5 A V E +A 94 0A 20 -2,-0.3 2,-0.3 89,-0.2 89,-0.2 -0.504 39.2 170.2 -73.5 131.4 31.2 0.6 53.2 6 6 A F E -A 93 0A 103 87,-2.2 87,-3.5 -2,-0.3 2,-0.6 -0.916 28.9-130.3-134.9 158.5 27.6 -0.3 53.2 7 7 A V E +A 92 0A 49 -2,-0.3 85,-0.2 85,-0.2 2,-0.2 -0.949 33.8 170.6-118.2 114.3 24.8 0.9 51.1 8 8 A L E -A 91 0A 63 83,-2.2 83,-3.6 -2,-0.6 2,-0.7 -0.701 36.7-119.3-117.8 171.4 21.7 2.0 52.9 9 9 A D E -A 90 0A 109 81,-0.2 81,-0.2 -2,-0.2 2,-0.2 -0.897 35.8-165.3-112.8 100.0 18.5 3.8 52.0 10 10 A E E -A 89 0A 46 79,-1.8 79,-1.8 -2,-0.7 2,-0.1 -0.470 14.2-133.1 -85.2 158.3 18.3 6.9 54.0 11 11 A E - 0 0 40 77,-0.2 2,-0.4 -2,-0.2 78,-0.2 -0.236 47.7 -75.4 -90.5-171.6 15.3 9.1 54.5 12 12 A E - 0 0 116 76,-0.1 2,-0.4 -2,-0.1 76,-0.1 -0.781 40.9-156.1 -99.0 136.3 15.6 12.8 54.0 13 13 A I E -B 86 0A 61 73,-1.4 73,-1.9 -2,-0.4 2,-0.4 -0.909 11.7-138.2-108.5 131.6 17.4 15.0 56.6 14 14 A R E +B 85 0A 127 -2,-0.4 57,-2.4 71,-0.2 2,-0.3 -0.743 32.7 177.0 -90.2 136.1 16.6 18.7 56.8 15 15 A I E -BC 84 70A 1 69,-2.8 69,-2.3 -2,-0.4 2,-0.4 -0.926 33.3-139.2-140.1 164.8 19.6 20.9 57.3 16 16 A I E +BC 83 69A 42 53,-2.2 53,-2.3 -2,-0.3 2,-0.3 -0.962 37.2 168.1-118.5 134.3 21.0 24.4 57.6 17 17 A Q E -BC 82 68A 15 65,-2.1 65,-3.0 -2,-0.4 2,-0.3 -0.967 18.1-165.7-148.1 164.7 24.2 25.0 55.9 18 18 A T E - C 0 67A 10 49,-2.7 49,-2.5 -2,-0.3 2,-0.2 -0.901 39.4 -74.0-144.2 170.8 26.6 27.7 54.7 19 19 A E E - C 0 66A 105 61,-0.3 2,-1.3 -2,-0.3 47,-0.3 -0.455 33.6-141.0 -69.7 134.6 29.6 28.3 52.5 20 20 A A - 0 0 6 45,-2.0 2,-0.4 -2,-0.2 -1,-0.1 -0.638 21.7-145.9 -98.4 74.9 32.9 26.8 53.8 21 21 A E - 0 0 151 -2,-1.3 2,-1.9 1,-0.2 44,-0.1 -0.195 66.2 -45.3 -45.4 95.8 35.1 29.7 52.6 22 22 A G S S+ 0 0 57 -2,-0.4 -1,-0.2 42,-0.2 42,-0.2 -0.209 98.8 134.4 72.2 -48.2 38.3 27.9 51.7 23 23 A I + 0 0 21 -2,-1.9 41,-2.2 40,-0.1 -1,-0.1 0.103 29.0 171.7 -36.4 137.8 38.5 25.6 54.8 24 24 A G >> - 0 0 0 39,-0.3 3,-1.9 1,-0.0 4,-1.2 -0.887 50.1 -81.9-145.4 175.8 39.3 21.9 54.2 25 25 A P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 3,-0.4 0.863 120.7 66.3 -48.7 -42.7 40.2 18.6 55.9 26 26 A E H 34 S+ 0 0 77 1,-0.2 4,-0.3 36,-0.2 37,-0.1 0.832 104.6 45.1 -50.3 -34.0 43.8 19.7 56.1 27 27 A N H <4 S+ 0 0 57 -3,-1.9 3,-0.3 2,-0.2 -1,-0.2 0.824 112.0 49.3 -80.6 -33.0 42.7 22.4 58.6 28 28 A V H >< S+ 0 0 0 -4,-1.2 3,-1.0 -3,-0.4 -2,-0.2 0.798 108.9 53.8 -75.9 -28.6 40.4 20.1 60.6 29 29 A L T 3< S+ 0 0 42 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.622 102.8 57.4 -79.9 -12.2 43.2 17.6 60.9 30 30 A N T 3 S- 0 0 142 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.2 0.319 130.7 -0.6 -96.1 4.0 45.5 20.3 62.3 31 31 A A S < S- 0 0 49 -3,-1.0 2,-0.3 0, 0.0 -3,-0.1 -0.458 102.6 -62.7-153.4-130.7 42.9 20.9 65.0 32 32 A S > - 0 0 40 -2,-0.2 3,-2.2 -5,-0.1 4,-0.2 -0.840 44.7-102.1-131.6 167.9 39.6 19.3 65.9 33 33 A Y T >> S+ 0 0 0 1,-0.3 4,-1.2 -2,-0.3 3,-0.6 0.617 107.3 92.8 -67.2 -5.6 36.3 19.1 64.1 34 34 A S H 3> S+ 0 0 36 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.787 71.9 71.2 -56.5 -25.0 35.5 21.9 66.6 35 35 A K H X> S+ 0 0 93 -3,-2.2 3,-1.1 1,-0.2 4,-0.6 0.960 94.7 47.4 -57.0 -56.1 36.6 24.1 63.8 36 36 A L H X> S+ 0 0 0 -3,-0.6 3,-1.9 1,-0.2 4,-0.9 0.899 100.8 68.4 -52.0 -44.8 33.6 23.5 61.5 37 37 A K H >< S+ 0 0 67 -4,-1.2 3,-1.1 1,-0.3 4,-0.3 0.841 92.2 60.8 -41.5 -44.5 31.3 24.0 64.5 38 38 A K H X< S+ 0 0 128 -3,-1.1 3,-0.8 -4,-1.0 -1,-0.3 0.813 98.6 55.9 -54.9 -38.2 32.3 27.7 64.5 39 39 A F H << S+ 0 0 54 -3,-1.9 -1,-0.3 -4,-0.6 3,-0.2 0.746 115.4 37.4 -68.3 -26.5 30.9 28.2 61.0 40 40 A I T << S+ 0 0 17 -3,-1.1 -1,-0.2 -4,-0.9 -2,-0.2 0.190 78.2 109.3-114.0 17.1 27.6 27.0 62.0 41 41 A E < 0 0 127 -3,-0.8 -1,-0.1 -4,-0.3 -2,-0.1 0.629 360.0 360.0 -67.9 -13.4 27.1 28.4 65.5 42 42 A S 0 0 131 -3,-0.2 -2,-0.1 -4,-0.2 -3,-0.0 0.547 360.0 360.0 -93.4 360.0 24.5 30.9 64.2 43 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 44 48 A N 0 0 109 0, 0.0 27,-0.1 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0-177.2 21.4 20.9 66.2 45 49 A N + 0 0 104 2,-0.0 2,-0.3 86,-0.0 24,-0.0 0.821 360.0 56.8 -85.6 -40.4 24.1 18.9 68.0 46 50 A S - 0 0 15 84,-0.1 2,-0.2 24,-0.0 84,-0.2 -0.685 67.4-172.3 -95.3 152.0 25.9 17.0 65.1 47 51 A Y E -D 129 0A 4 82,-1.4 82,-3.4 -2,-0.3 2,-0.3 -0.794 3.2-176.6-133.4 177.3 27.5 19.0 62.3 48 52 A G E -DE 128 68A 0 20,-2.0 20,-2.0 -2,-0.2 2,-0.3 -0.975 17.1-131.9-164.8 178.7 29.1 18.2 59.0 49 53 A A E -DE 127 67A 0 78,-2.3 78,-3.5 -2,-0.3 2,-0.4 -0.924 14.4-143.5-139.2 163.1 30.8 19.2 55.8 50 54 A T E +DE 126 66A 5 16,-1.5 15,-3.3 -2,-0.3 16,-0.7 -0.976 17.8 176.0-130.4 143.4 30.4 18.5 52.2 51 55 A F E -D 125 0A 0 74,-2.0 74,-2.9 -2,-0.4 13,-0.1 -1.000 37.7 -90.7-150.1 149.7 33.0 18.1 49.5 52 56 A S - 0 0 33 11,-0.4 2,-0.6 -2,-0.3 72,-0.1 -0.245 45.4-116.4 -55.9 135.0 33.2 17.3 45.8 53 57 A F + 0 0 43 70,-0.2 -1,-0.1 2,-0.1 68,-0.0 -0.671 54.1 143.9 -80.8 119.4 33.6 13.6 45.1 54 58 A Q - 0 0 94 -2,-0.6 2,-2.0 -3,-0.0 57,-0.1 -0.966 62.5-103.8-148.6 160.2 36.9 12.9 43.4 55 59 A P - 0 0 88 0, 0.0 -2,-0.1 0, 0.0 53,-0.0 -0.567 52.8-166.3 -87.2 74.2 39.6 10.2 43.5 56 60 A Y - 0 0 25 -2,-2.0 3,-0.1 1,-0.1 55,-0.0 -0.295 22.5-163.0 -63.2 146.0 41.9 12.3 45.6 57 61 A T S S+ 0 0 103 1,-0.3 2,-0.3 51,-0.0 -1,-0.1 0.315 73.9 8.8-110.4 2.2 45.5 11.3 45.9 58 62 A S S > S- 0 0 29 46,-0.0 3,-1.4 0, 0.0 2,-0.7 -0.894 75.3-104.2-179.0 148.4 46.1 13.5 48.9 59 63 A I T 3 S+ 0 0 36 -2,-0.3 4,-0.0 1,-0.2 -35,-0.0 -0.743 107.2 58.0 -82.3 114.7 44.6 15.7 51.5 60 64 A D T 3 S+ 0 0 93 -2,-0.7 -1,-0.2 0, 0.0 0, 0.0 -0.219 91.8 71.5 152.0 -28.0 45.4 19.2 50.4 61 65 A E S < S+ 0 0 89 -3,-1.4 -2,-0.2 2,-0.0 2,-0.1 0.797 90.5 85.7 -75.6 -30.1 43.7 18.6 47.2 62 66 A M + 0 0 0 -4,-0.4 2,-0.3 -11,-0.0 -36,-0.2 -0.391 48.9 168.3 -78.7 150.0 40.6 18.7 49.3 63 67 A T - 0 0 74 -39,-0.1 -11,-0.4 -2,-0.1 -39,-0.3 -0.928 34.1-116.9-157.7 130.7 38.6 21.7 50.3 64 68 A Y - 0 0 4 -41,-2.2 -13,-0.2 -2,-0.3 -42,-0.2 -0.337 16.5-162.4 -70.9 154.7 35.1 21.7 51.8 65 69 A R + 0 0 118 -15,-3.3 -45,-2.0 1,-0.4 2,-0.3 0.805 68.8 1.4-104.1 -47.0 32.1 23.3 50.0 66 70 A H E -CE 19 50A 34 -16,-0.7 -16,-1.5 -47,-0.3 2,-0.4 -0.990 56.7-143.9-144.1 149.9 29.4 23.9 52.7 67 71 A I E +CE 18 49A 0 -49,-2.5 -49,-2.7 -2,-0.3 2,-0.3 -0.939 33.6 173.3-112.5 136.6 29.2 23.3 56.5 68 72 A F E -CE 17 48A 0 -20,-2.0 -20,-2.0 -2,-0.4 -51,-0.3 -0.859 24.0-153.0-139.3 176.1 25.8 22.2 57.7 69 73 A T E -C 16 0A 11 -53,-2.3 -53,-2.2 -2,-0.3 -22,-0.2 -0.978 29.2-109.8-151.9 136.7 23.7 20.9 60.7 70 74 A P E -C 15 0A 19 0, 0.0 -55,-0.3 0, 0.0 2,-0.2 -0.251 37.0-149.9 -63.9 155.8 20.7 18.8 60.9 71 75 A V 0 0 40 -57,-2.4 -57,-0.2 -27,-0.1 -56,-0.0 -0.509 360.0 360.0-116.9-173.3 17.5 20.6 62.0 72 76 A L 0 0 142 -2,-0.2 -57,-0.0 -28,-0.0 -1,-0.0 0.198 360.0 360.0-139.3 360.0 14.3 19.7 63.9 73 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 74 81 A I 0 0 152 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -28.2 13.0 27.2 62.0 75 82 A S + 0 0 105 1,-0.2 3,-0.1 2,-0.0 0, 0.0 -0.284 360.0 69.7 -99.0-172.2 12.3 30.8 60.8 76 83 A S + 0 0 132 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.919 70.0 148.5 65.5 42.0 14.1 34.0 61.5 77 84 A I - 0 0 64 -3,-0.1 -1,-0.3 4,-0.0 3,-0.1 -0.913 41.2-136.0-111.6 136.8 17.1 32.8 59.5 78 85 A T - 0 0 79 -2,-0.4 3,-0.4 1,-0.2 -1,-0.0 -0.284 26.3-104.1 -80.5 175.1 19.3 35.2 57.6 79 86 A P S S+ 0 0 104 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.057 104.9 69.8 -79.1-157.5 20.5 34.5 54.1 80 87 A D S S+ 0 0 119 1,-0.1 2,-0.4 -3,-0.1 -61,-0.3 0.563 98.3 73.3 61.1 0.2 24.1 33.4 54.0 81 88 A M S S- 0 0 25 -3,-0.4 2,-0.4 -63,-0.1 -63,-0.2 -0.978 77.4-153.4-143.3 131.4 22.6 30.4 55.6 82 89 A E E -B 17 0A 92 -65,-3.0 -65,-2.1 -2,-0.4 2,-0.6 -0.904 10.4-141.6-119.2 146.2 20.5 28.0 53.5 83 90 A I E +B 16 0A 93 -2,-0.4 2,-0.2 -67,-0.2 -67,-0.2 -0.901 46.5 124.3-102.9 124.6 17.7 25.6 54.2 84 91 A T E -B 15 0A 49 -69,-2.3 -69,-2.8 -2,-0.6 2,-0.3 -0.775 43.3-118.9-154.2-162.8 17.9 22.3 52.3 85 92 A T E -B 14 0A 41 -71,-0.3 -71,-0.2 -2,-0.2 -73,-0.0 -0.821 21.0-115.8-142.4-178.8 18.0 18.6 52.8 86 93 A I E -B 13 0A 5 -73,-1.9 -73,-1.4 -2,-0.3 3,-0.1 -0.876 56.2-126.4-123.6 83.9 20.0 15.5 52.3 87 94 A P - 0 0 33 0, 0.0 -77,-0.1 0, 0.0 2,-0.1 0.185 20.5 -98.8 -34.2 146.0 17.5 14.0 50.0 88 95 A K S S+ 0 0 127 -76,-0.1 2,-0.3 -79,-0.1 -77,-0.2 -0.470 73.1 106.8 -69.8 145.3 16.1 10.5 50.7 89 96 A G E S-A 10 0A 11 -79,-1.8 -79,-1.8 -78,-0.2 2,-0.5 -0.987 70.6 -48.4 171.8-169.1 18.0 7.9 48.6 90 97 A R E -AF 9 145A 110 55,-0.6 55,-2.4 -2,-0.3 2,-0.4 -0.826 55.2-168.0 -95.0 126.5 20.5 5.1 48.4 91 98 A Y E -AF 8 144A 0 -83,-3.6 -83,-2.2 -2,-0.5 2,-0.8 -0.925 26.2-143.7-122.4 144.1 23.8 5.9 50.1 92 99 A A E -AF 7 143A 0 51,-1.9 51,-1.2 -2,-0.4 2,-0.3 -0.904 38.9-174.0 -99.0 113.3 27.3 4.3 50.2 93 100 A C E -AF 6 142A 14 -87,-3.5 -87,-2.2 -2,-0.8 2,-0.4 -0.864 23.5-175.4-117.4 150.5 28.3 4.9 53.8 94 101 A I E -AF 5 141A 0 47,-2.2 47,-2.4 -2,-0.3 2,-0.4 -0.909 12.3-169.3-144.5 110.6 31.4 4.4 55.8 95 102 A A E + F 0 140A 16 -91,-0.5 -92,-1.9 -2,-0.4 -91,-0.3 -0.840 15.8 149.1-107.5 141.1 31.5 5.1 59.5 96 103 A Y E - F 0 139A 6 43,-2.0 43,-3.0 -2,-0.4 2,-0.5 -0.953 49.2 -90.2-156.0 172.6 34.4 5.2 61.8 97 104 A N E - F 0 138A 51 -2,-0.3 41,-0.2 41,-0.2 5,-0.1 -0.788 60.2 -98.6 -90.4 131.2 35.8 6.8 65.0 98 105 A F + 0 0 29 39,-3.2 39,-0.2 -2,-0.5 -1,-0.1 -0.210 58.6 144.9 -57.4 137.9 37.7 9.9 64.1 99 106 A S > - 0 0 18 1,-0.1 4,-2.2 -3,-0.0 3,-0.4 -0.848 51.8-124.9-170.1 131.5 41.5 9.8 63.8 100 107 A P H > S+ 0 0 65 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.917 113.1 51.9 -47.3 -52.3 43.7 11.6 61.4 101 108 A E H > S+ 0 0 144 1,-0.2 4,-1.0 2,-0.1 -3,-0.0 0.886 111.6 48.7 -52.6 -43.8 45.3 8.4 60.1 102 109 A H H > S+ 0 0 75 -3,-0.4 4,-3.2 2,-0.2 5,-0.3 0.892 94.6 71.9 -63.6 -48.9 41.8 7.0 59.4 103 110 A Y H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 3,-0.2 0.877 105.8 33.4 -34.1 -76.3 40.3 9.9 57.6 104 111 A F H X S+ 0 0 52 -4,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.894 117.1 57.7 -52.8 -45.5 42.2 9.6 54.3 105 112 A L H X S+ 0 0 107 -4,-1.0 4,-1.6 1,-0.2 -1,-0.2 0.932 109.9 42.0 -52.2 -51.3 42.3 5.9 54.5 106 113 A N H X S+ 0 0 9 -4,-3.2 4,-2.6 2,-0.2 -1,-0.2 0.857 108.3 59.5 -66.3 -36.1 38.6 5.4 54.7 107 114 A L H X S+ 0 0 0 -4,-2.2 4,-3.1 -5,-0.3 -1,-0.2 0.931 105.4 52.2 -57.0 -43.4 38.0 8.0 52.0 108 115 A Q H X S+ 0 0 41 -4,-2.4 4,-3.4 2,-0.2 5,-0.2 0.914 106.2 52.0 -59.4 -44.7 40.1 5.7 49.9 109 116 A K H X S+ 0 0 72 -4,-1.6 4,-3.5 2,-0.2 -1,-0.2 0.954 112.1 45.8 -57.5 -49.7 37.9 2.7 50.7 110 117 A L H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.936 113.0 50.6 -59.5 -45.2 34.8 4.6 49.8 111 118 A I H X S+ 0 0 16 -4,-3.1 4,-1.9 -5,-0.2 3,-0.3 0.935 113.8 44.5 -58.7 -46.9 36.5 5.8 46.6 112 119 A K H X S+ 0 0 118 -4,-3.4 4,-2.7 1,-0.2 -2,-0.2 0.930 107.7 58.8 -63.2 -45.3 37.5 2.3 45.7 113 120 A Y H < S+ 0 0 42 -4,-3.5 -1,-0.2 -5,-0.2 -2,-0.2 0.831 110.6 42.3 -53.3 -35.2 34.2 0.8 46.6 114 121 A I H <>S+ 0 0 7 -4,-1.7 5,-1.8 -3,-0.3 -1,-0.2 0.838 110.6 55.5 -81.0 -35.5 32.5 3.1 44.0 115 122 A A H ><5S+ 0 0 59 -4,-1.9 3,-0.8 -5,-0.2 -2,-0.2 0.952 113.6 43.0 -60.4 -52.1 35.3 2.6 41.3 116 123 A D G ><5S+ 0 0 94 -4,-2.7 3,-0.7 1,-0.2 0, 0.0 -0.432 112.2 43.7 -82.4 169.5 34.8 -1.2 41.5 117 124 A R G 3 5S- 0 0 145 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.1 0.448 109.8-125.4 70.1 -5.7 31.0 -1.9 41.6 118 125 A Q G < 5 + 0 0 157 -3,-0.8 -1,-0.2 1,-0.1 -3,-0.2 0.751 46.2 179.3 28.9 52.3 31.0 0.8 38.9 119 126 A L < < - 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