==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 08-OCT-09 3K69 . COMPND 2 MOLECULE: PUTATIVE TRANSCRIPTION REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS PLANTARUM; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 151 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9980.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 71.5 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 . 8 5.3 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 . 4 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 45.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 2 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 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 . 2 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 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 6 A X > 0 0 196 0, 0.0 3,-1.2 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -43.8 6.8 13.6 5.5 2 7 A K T >> + 0 0 133 1,-0.2 3,-1.2 2,-0.2 4,-0.5 0.700 360.0 76.2 -71.3 -16.4 6.7 10.3 3.7 3 8 A L H 3> S+ 0 0 100 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.682 75.0 82.9 -56.8 -19.1 10.3 11.3 2.8 4 9 A D H <> S+ 0 0 32 -3,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.798 81.2 57.1 -62.8 -38.0 11.1 10.3 6.4 5 10 A F H <> S+ 0 0 32 -3,-1.2 4,-2.9 2,-0.2 -1,-0.2 0.957 110.3 43.9 -58.1 -51.6 11.4 6.6 5.6 6 11 A S H X S+ 0 0 63 -4,-0.5 4,-3.1 1,-0.2 5,-0.3 0.889 110.0 56.1 -60.1 -40.4 14.2 7.4 3.1 7 12 A V H X S+ 0 0 4 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.927 112.0 43.9 -56.7 -43.6 15.9 9.8 5.4 8 13 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.936 115.7 46.3 -68.6 -48.1 16.0 7.0 8.0 9 14 A V H X S+ 0 0 14 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.948 115.8 45.4 -55.2 -53.5 17.2 4.4 5.6 10 15 A H H X S+ 0 0 72 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.903 113.6 50.1 -60.6 -41.3 19.8 6.7 4.0 11 16 A S H X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.3 5,-0.2 0.932 110.7 48.7 -66.0 -46.2 21.0 7.8 7.5 12 17 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.918 112.5 48.9 -57.5 -45.1 21.4 4.2 8.8 13 18 A L H X S+ 0 0 25 -4,-2.5 4,-1.1 -5,-0.2 -2,-0.2 0.918 111.7 49.4 -62.7 -38.9 23.3 3.3 5.7 14 19 A Y H >< S+ 0 0 47 -4,-2.5 3,-0.8 1,-0.2 4,-0.4 0.952 112.1 47.1 -65.5 -47.4 25.6 6.3 6.0 15 20 A L H >< S+ 0 0 1 -4,-2.9 3,-1.1 1,-0.2 49,-0.4 0.849 106.2 58.9 -62.6 -35.1 26.3 5.5 9.7 16 21 A D H >< S+ 0 0 35 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.787 104.6 52.4 -62.0 -29.3 27.0 1.9 8.8 17 22 A A T << S+ 0 0 70 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.549 116.3 39.5 -83.2 -7.6 29.8 3.1 6.5 18 23 A H T X + 0 0 60 -3,-1.1 3,-1.8 -4,-0.4 -1,-0.2 -0.268 64.8 145.7-138.8 49.0 31.3 5.2 9.3 19 24 A R T < S+ 0 0 91 -3,-0.6 -1,-0.1 1,-0.3 -2,-0.1 0.700 71.9 62.4 -68.3 -18.7 31.0 3.0 12.4 20 25 A D T 3 S+ 0 0 138 -3,-0.1 2,-0.3 43,-0.0 -1,-0.3 0.328 103.4 63.5 -78.2 5.8 34.4 4.4 13.7 21 26 A S S < S- 0 0 41 -3,-1.8 2,-0.5 -6,-0.2 43,-0.3 -0.925 73.1-128.9-137.8 147.6 32.9 7.9 13.8 22 27 A K - 0 0 76 -2,-0.3 2,-0.5 37,-0.2 41,-0.2 -0.873 32.9-155.9 -89.1 133.1 30.4 10.1 15.4 23 28 A V B -A 62 0A 0 39,-2.5 39,-2.4 -2,-0.5 38,-0.1 -0.954 3.1-145.5-119.1 115.8 28.5 11.9 12.6 24 29 A A >> - 0 0 46 -2,-0.5 4,-1.9 37,-0.3 3,-0.6 -0.286 30.3-103.9 -73.5 162.8 26.8 15.2 13.3 25 30 A S H 3> S+ 0 0 24 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.807 119.2 59.9 -52.3 -39.7 23.5 16.3 11.6 26 31 A R H 3> S+ 0 0 132 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.895 105.9 46.3 -62.4 -39.3 25.4 18.6 9.3 27 32 A E H <> S+ 0 0 64 -3,-0.6 4,-1.7 2,-0.2 -2,-0.2 0.902 114.3 47.0 -69.3 -45.7 27.4 15.7 7.8 28 33 A L H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.916 110.2 53.9 -59.9 -44.4 24.4 13.5 7.4 29 34 A A H X>S+ 0 0 2 -4,-2.9 5,-1.6 1,-0.2 4,-1.5 0.939 103.7 55.7 -61.1 -44.8 22.4 16.3 5.8 30 35 A Q H ><5S+ 0 0 144 -4,-2.1 3,-0.6 1,-0.2 -1,-0.2 0.941 112.3 43.6 -45.1 -53.0 25.3 16.9 3.2 31 36 A S H 3<5S+ 0 0 35 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.887 116.0 45.9 -64.1 -40.0 24.9 13.2 2.2 32 37 A L H 3<5S- 0 0 20 -4,-2.7 -1,-0.2 2,-0.1 -2,-0.2 0.611 106.9-126.2 -78.9 -9.0 21.1 13.2 2.2 33 38 A H T <<5 + 0 0 168 -4,-1.5 2,-0.3 -3,-0.6 -3,-0.2 0.926 69.8 117.7 56.0 52.0 21.0 16.5 0.2 34 39 A L S - 0 0 86 -2,-0.3 3,-1.3 1,-0.1 4,-0.4 -0.590 37.3-124.2 -64.5 138.2 18.8 21.0 5.3 36 41 A P G >> S+ 0 0 39 0, 0.0 3,-2.0 0, 0.0 4,-1.6 0.879 109.8 66.9 -55.4 -37.9 19.7 19.6 8.7 37 42 A V G 34 S+ 0 0 103 1,-0.3 4,-0.4 2,-0.2 -12,-0.0 0.786 99.7 52.8 -52.3 -31.0 16.4 21.1 10.1 38 43 A X G <4 S+ 0 0 116 -3,-1.3 -1,-0.3 1,-0.2 4,-0.2 0.563 115.3 36.1 -83.4 -14.6 14.6 18.6 7.9 39 44 A I T <> S+ 0 0 0 -3,-2.0 4,-2.4 -4,-0.4 5,-0.2 0.478 92.9 88.3-110.1 -10.4 16.4 15.5 9.2 40 45 A R H X S+ 0 0 162 -4,-1.6 4,-1.9 1,-0.2 5,-0.1 0.879 88.5 50.4 -59.1 -42.7 16.8 16.5 12.9 41 46 A N H > S+ 0 0 101 -4,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.915 111.1 46.5 -64.4 -45.7 13.4 15.0 13.9 42 47 A I H > S+ 0 0 5 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.910 111.5 51.0 -65.5 -41.1 14.0 11.7 12.2 43 48 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.896 111.8 49.5 -62.3 -38.1 17.5 11.2 13.7 44 49 A S H X S+ 0 0 31 -4,-1.9 4,-3.1 -5,-0.2 -2,-0.2 0.930 110.3 49.4 -64.7 -46.5 16.0 12.1 17.1 45 50 A V H X S+ 0 0 30 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.893 112.2 48.2 -59.5 -42.3 13.2 9.5 16.6 46 51 A L H <>S+ 0 0 1 -4,-2.6 5,-2.4 2,-0.2 6,-0.5 0.934 113.4 48.0 -66.6 -45.2 15.7 6.8 15.6 47 52 A H H ><5S+ 0 0 76 -4,-2.4 3,-1.7 4,-0.2 -2,-0.2 0.939 109.4 51.8 -54.8 -53.1 17.9 7.7 18.6 48 53 A K H 3<5S+ 0 0 164 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.769 110.8 50.0 -58.3 -27.8 14.9 7.6 21.0 49 54 A H T 3<5S- 0 0 113 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.257 120.8-102.9-101.3 11.5 14.0 4.1 19.7 50 55 A G T < 5S+ 0 0 45 -3,-1.7 -3,-0.2 2,-0.3 -2,-0.1 0.493 87.9 115.0 90.9 7.6 17.4 2.6 20.0 51 56 A Y S S+ 0 0 54 -2,-0.3 3,-2.4 3,-0.0 2,-0.1 -0.674 97.1 8.1 123.0-158.0 28.5 18.5 22.1 58 63 A K T 3 S- 0 0 194 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 -0.327 137.3 -1.7 -60.2 127.8 31.9 19.2 20.5 59 64 A N T 3 S+ 0 0 144 1,-0.1 -1,-0.3 -2,-0.1 -37,-0.2 0.620 108.2 132.2 57.9 13.7 32.8 16.3 18.3 60 65 A G < + 0 0 12 -3,-2.4 2,-0.3 -6,-0.1 -4,-0.2 -0.070 20.9 119.4 -74.7-173.2 29.5 14.6 19.4 61 66 A G E - B 0 55A 10 -6,-2.4 -6,-1.2 -37,-0.1 -37,-0.3 -0.825 57.8 -41.2 142.1-177.8 27.1 13.1 16.9 62 67 A Y E -AB 23 54A 32 -39,-2.4 -39,-2.5 -2,-0.3 2,-0.3 -0.468 45.9-177.6 -85.7 147.7 25.3 9.9 15.9 63 68 A Q E - B 0 53A 44 -10,-1.9 -10,-2.8 -41,-0.2 2,-0.5 -0.993 18.9-141.4-147.0 143.2 26.8 6.5 15.8 64 69 A L + 0 0 1 -49,-0.4 -12,-0.1 -2,-0.3 -43,-0.1 -0.962 29.3 156.6-106.6 127.1 25.6 3.1 14.7 65 70 A D + 0 0 100 -2,-0.5 2,-0.2 -14,-0.3 -1,-0.1 0.167 51.5 85.0-132.5 16.9 26.8 0.1 16.7 66 71 A L S S- 0 0 84 -15,-0.3 2,-0.4 2,-0.0 5,-0.0 -0.696 81.8 -96.4-114.0 168.6 24.0 -2.4 16.0 67 72 A A > - 0 0 40 -2,-0.2 3,-1.5 1,-0.1 64,-0.1 -0.706 12.7-141.3 -90.1 135.0 23.5 -4.8 13.0 68 73 A L G > S+ 0 0 8 -2,-0.4 3,-1.7 1,-0.3 63,-0.9 0.812 103.4 66.7 -55.5 -33.3 21.4 -4.0 10.0 69 74 A A G 3 S+ 0 0 58 1,-0.3 -1,-0.3 62,-0.2 64,-0.1 0.788 97.5 54.2 -63.4 -22.2 20.3 -7.6 10.1 70 75 A D G < S+ 0 0 136 -3,-1.5 2,-0.7 1,-0.1 -1,-0.3 0.372 89.5 88.2 -94.8 6.4 18.5 -6.9 13.4 71 76 A X S < S- 0 0 11 -3,-1.7 60,-2.2 -4,-0.1 2,-0.3 -0.885 70.9-147.1-108.7 97.2 16.5 -3.9 11.9 72 77 A N B > -C 130 0B 37 -2,-0.7 4,-2.4 58,-0.2 58,-0.3 -0.488 8.4-141.7 -61.0 128.5 13.2 -5.1 10.4 73 78 A L H > S+ 0 0 5 56,-2.5 4,-2.5 53,-0.4 54,-0.2 0.838 101.3 51.7 -64.8 -34.6 12.3 -2.9 7.5 74 79 A G H > S+ 0 0 0 52,-0.8 4,-2.7 55,-0.6 -1,-0.2 0.875 106.6 52.1 -69.8 -41.5 8.7 -2.9 8.4 75 80 A D H > S+ 0 0 86 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.934 113.0 46.7 -54.1 -48.1 9.4 -1.9 11.9 76 81 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.934 112.9 48.4 -61.3 -45.8 11.4 1.0 10.5 77 82 A Y H X S+ 0 0 15 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.917 111.8 49.7 -58.3 -47.5 8.6 1.9 7.9 78 83 A D H < S+ 0 0 40 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.866 112.9 47.5 -65.2 -36.3 5.9 1.8 10.7 79 84 A L H < S+ 0 0 47 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.935 118.7 37.8 -68.1 -47.1 8.0 4.0 12.9 80 85 A T H < S+ 0 0 7 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.762 129.8 30.8 -80.4 -26.7 8.9 6.6 10.3 81 86 A I S < S- 0 0 22 -4,-2.7 -1,-0.3 -5,-0.2 3,-0.1 -0.730 90.1-153.7-128.9 78.3 5.5 6.6 8.5 82 87 A P - 0 0 89 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.145 28.5 -89.2 -62.8 148.3 3.0 5.7 11.3 83 88 A P - 0 0 66 0, 0.0 2,-0.3 0, 0.0 33,-0.0 -0.307 37.6-122.1 -56.0 135.4 -0.3 4.0 10.4 84 89 A T + 0 0 64 1,-0.2 3,-0.1 -3,-0.1 35,-0.1 -0.594 27.7 178.5 -66.2 132.5 -3.4 6.2 9.6 85 90 A I S S+ 0 0 148 -2,-0.3 2,-0.6 1,-0.2 -1,-0.2 0.789 71.3 53.3 -97.7 -55.6 -6.4 5.5 11.8 86 91 A S + 0 0 84 1,-0.1 3,-0.2 2,-0.0 -1,-0.2 -0.713 52.6 175.3 -83.5 122.1 -8.7 8.2 10.2 87 92 A Y > + 0 0 18 -2,-0.6 3,-2.4 1,-0.2 4,-0.3 0.161 42.4 122.7-102.6 15.9 -9.2 8.0 6.4 88 93 A A G > + 0 0 62 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.816 65.7 60.7 -50.3 -39.0 -11.8 10.9 6.5 89 94 A R G 3 S+ 0 0 106 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.725 110.1 43.6 -62.7 -21.9 -9.8 13.1 4.1 90 95 A F G < S+ 0 0 140 -3,-2.4 2,-0.4 2,-0.1 -1,-0.3 0.282 101.8 84.3-103.7 6.6 -10.1 10.3 1.5 91 96 A I < - 0 0 27 -3,-1.5 17,-0.1 -4,-0.3 2,-0.1 -0.934 61.9-149.7-120.0 136.8 -13.8 9.5 2.1 92 97 A T + 0 0 106 -2,-0.4 16,-0.1 15,-0.1 -2,-0.1 -0.205 55.9 49.0 -89.2-178.6 -16.9 11.2 0.6 93 98 A G S S- 0 0 62 14,-0.1 12,-0.1 -2,-0.1 11,-0.1 -0.476 97.4 -23.4 84.3-160.3 -20.5 11.6 2.1 94 99 A P - 0 0 55 0, 0.0 2,-0.2 0, 0.0 14,-0.1 -0.241 58.8-125.0 -79.1 171.7 -21.2 13.0 5.6 95 100 A S 0 0 119 1,-0.2 13,-0.0 -2,-0.1 -3,-0.0 -0.546 360.0 360.0-109.9 176.4 -19.1 13.1 8.8 96 101 A K 0 0 153 -2,-0.2 -1,-0.2 0, 0.0 0, 0.0 0.684 360.0 360.0 -78.3 360.0 -19.6 11.8 12.4 97 ! 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 98 106 A A 0 0 149 0, 0.0 7,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -44.7 -30.8 9.0 11.0 99 107 A D + 0 0 98 2,-0.1 2,-0.3 3,-0.0 6,-0.0 -0.057 360.0 130.9-112.8 24.5 -32.0 10.3 7.6 100 108 A Q - 0 0 94 1,-0.1 0, 0.0 4,-0.1 0, 0.0 -0.606 66.1-114.9 -63.3 134.5 -28.6 9.4 6.1 101 109 A S > - 0 0 58 -2,-0.3 4,-2.9 1,-0.1 5,-0.3 -0.360 31.9-100.5 -61.8 154.5 -29.3 7.5 2.9 102 110 A P H > S+ 0 0 106 0, 0.0 4,-0.9 0, 0.0 5,-0.1 0.888 124.9 44.8 -40.7 -45.7 -28.1 3.9 3.0 103 111 A I H >> S+ 0 0 126 1,-0.2 4,-2.0 2,-0.2 3,-1.0 0.975 115.0 44.9 -71.3 -55.4 -25.0 4.9 1.0 104 112 A A H 34 S+ 0 0 21 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.810 113.1 51.8 -55.7 -35.9 -24.1 8.1 3.0 105 113 A A H 3< S+ 0 0 60 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.712 122.2 28.5 -73.3 -23.3 -24.7 6.3 6.4 106 114 A N H S+ 0 0 52 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.945 111.6 44.2 -63.9 -42.7 -17.3 5.9 5.7 109 117 A E H > S+ 0 0 135 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.909 115.2 48.6 -69.8 -40.8 -17.2 2.6 7.7 110 118 A T H X S+ 0 0 87 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.923 115.7 42.5 -60.1 -47.8 -16.9 0.4 4.6 111 119 A L H X S+ 0 0 36 -4,-2.8 4,-3.1 2,-0.2 5,-0.3 0.878 111.1 55.9 -69.8 -36.9 -14.1 2.5 3.0 112 120 A T H X S+ 0 0 34 -4,-2.3 4,-2.3 -5,-0.3 5,-0.2 0.933 111.5 43.5 -58.8 -46.7 -12.3 2.8 6.3 113 121 A D H X S+ 0 0 91 -4,-2.0 4,-2.8 -5,-0.2 5,-0.3 0.949 115.0 50.0 -64.1 -47.4 -12.2 -1.0 6.7 114 122 A L H X S+ 0 0 107 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.938 114.7 42.6 -50.0 -57.2 -11.2 -1.4 3.0 115 123 A F H X S+ 0 0 65 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.852 114.5 52.1 -63.0 -38.0 -8.3 1.1 3.2 116 124 A T H X S+ 0 0 34 -4,-2.3 4,-2.0 -5,-0.3 -2,-0.2 0.932 111.6 44.3 -67.9 -46.8 -7.2 -0.2 6.6 117 125 A V H X S+ 0 0 88 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.922 114.6 50.3 -60.4 -44.6 -7.0 -3.8 5.5 118 126 A A H X S+ 0 0 60 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.907 108.7 52.5 -60.9 -43.0 -5.3 -2.7 2.3 119 127 A D H X S+ 0 0 34 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.889 106.3 53.1 -65.4 -33.9 -2.8 -0.7 4.3 120 128 A R H X S+ 0 0 155 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.908 108.3 50.6 -65.0 -38.5 -2.0 -3.8 6.5 121 129 A Q H X S+ 0 0 161 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.913 111.9 48.6 -65.5 -38.5 -1.3 -5.8 3.3 122 130 A Y H >X S+ 0 0 108 -4,-2.2 3,-0.8 1,-0.2 4,-0.7 0.943 113.0 45.6 -61.0 -50.4 1.1 -3.0 2.1 123 131 A R H >X S+ 0 0 17 -4,-2.8 4,-1.4 1,-0.2 3,-0.6 0.867 102.8 65.3 -69.2 -33.2 2.9 -2.8 5.4 124 132 A A H 3X S+ 0 0 58 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.807 92.8 65.4 -53.0 -35.0 3.2 -6.6 5.6 125 133 A Y H X< S+ 0 0 96 -4,-1.0 3,-1.3 -3,-0.8 -1,-0.2 0.951 102.3 44.3 -55.7 -51.1 5.4 -6.3 2.5 126 134 A Y H X< S+ 0 0 37 -4,-0.7 3,-2.1 -3,-0.6 -52,-0.8 0.847 101.0 69.1 -67.6 -31.3 8.2 -4.5 4.4 127 135 A H H 3< S+ 0 0 70 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.653 86.7 69.0 -62.8 -16.0 8.0 -6.8 7.4 128 136 A Q T << S+ 0 0 115 -3,-1.3 -1,-0.3 -4,-0.6 2,-0.2 0.634 101.3 53.7 -67.8 -20.1 9.5 -9.6 5.2 129 137 A F < - 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