==== 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 18-JUL-08 3DV8 . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR, CRP/FNR FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: EUBACTERIUM RECTALE ATCC 33656; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 216 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12069.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 76.4 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 . 45 20.8 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 15 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 1 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 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 2 1 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 1 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 4 A E 0 0 114 0, 0.0 6,-0.1 0, 0.0 18,-0.0 0.000 360.0 360.0 360.0 -43.6 11.1 18.0 80.6 2 5 A N + 0 0 153 1,-0.1 5,-0.0 5,-0.1 0, 0.0 0.789 360.0 48.5 -84.9 -33.8 7.8 17.1 78.8 3 6 A Y S S+ 0 0 80 1,-0.1 -1,-0.1 42,-0.0 43,-0.1 0.415 95.1 80.3 -87.8 -5.1 9.6 15.9 75.6 4 7 A F > - 0 0 8 1,-0.1 3,-1.2 41,-0.1 4,-0.3 -0.912 57.6-172.0-110.5 101.0 12.1 13.7 77.4 5 8 A P G > S+ 0 0 73 0, 0.0 3,-0.5 0, 0.0 4,-0.3 0.703 82.6 64.6 -70.4 -20.9 10.4 10.3 78.2 6 9 A L G >> S+ 0 0 2 1,-0.2 4,-1.0 2,-0.1 3,-0.9 0.638 80.1 88.1 -70.9 -17.9 13.4 9.1 80.4 7 10 A W G <4 S+ 0 0 47 -3,-1.2 3,-0.4 1,-0.3 -1,-0.2 0.820 83.9 51.0 -50.6 -45.2 12.7 12.0 82.8 8 11 A N G <4 S+ 0 0 139 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.762 110.0 51.8 -66.8 -27.2 10.2 10.0 85.0 9 12 A D T <4 S+ 0 0 111 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.2 0.663 94.4 92.0 -81.2 -20.8 12.8 7.2 85.3 10 13 A L S < S- 0 0 9 -4,-1.0 2,-0.1 -3,-0.4 -3,-0.0 -0.427 72.4-129.2 -75.3 150.7 15.6 9.6 86.4 11 14 A N > - 0 0 84 -2,-0.1 4,-2.7 1,-0.0 5,-0.2 -0.273 33.9 -92.8 -85.9 178.0 16.3 10.3 90.2 12 15 A T H > S+ 0 0 120 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.936 125.8 48.8 -57.3 -51.0 16.6 13.8 91.8 13 16 A A H > S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.888 115.7 43.5 -57.7 -44.9 20.4 13.9 91.4 14 17 A Q H > S+ 0 0 28 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.882 113.1 51.9 -67.5 -44.5 20.2 12.9 87.6 15 18 A K H X S+ 0 0 68 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.865 112.8 46.2 -57.7 -41.1 17.2 15.3 87.0 16 19 A K H X S+ 0 0 135 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.877 109.4 52.5 -72.1 -41.9 19.2 18.2 88.5 17 20 A L H < S+ 0 0 80 -4,-1.9 4,-0.5 2,-0.2 -2,-0.2 0.874 116.4 39.8 -63.4 -40.5 22.5 17.5 86.6 18 21 A I H >< S+ 0 0 5 -4,-1.8 3,-0.8 2,-0.2 4,-0.4 0.931 115.9 50.9 -72.2 -50.0 20.7 17.4 83.2 19 22 A S H >< S+ 0 0 47 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.891 111.6 46.5 -55.5 -47.0 18.4 20.4 84.0 20 23 A D T 3< S+ 0 0 103 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.611 117.5 44.1 -75.0 -14.0 21.2 22.7 85.2 21 24 A N T < S+ 0 0 67 -3,-0.8 2,-0.3 -4,-0.5 -1,-0.2 0.212 79.4 128.3-114.0 12.0 23.4 21.8 82.2 22 25 A L < - 0 0 55 -3,-0.9 2,-0.5 -4,-0.4 80,-0.2 -0.544 45.9-153.6 -67.0 130.3 20.7 22.0 79.4 23 26 A I E -A 101 0A 90 78,-1.8 78,-2.0 -2,-0.3 2,-0.3 -0.955 6.0-149.9-107.2 119.2 21.9 24.3 76.6 24 27 A T E +A 100 0A 109 -2,-0.5 2,-0.3 76,-0.2 76,-0.2 -0.751 22.2 177.2 -87.3 140.7 18.9 25.8 74.6 25 28 A Q E -A 99 0A 74 74,-2.2 74,-3.0 -2,-0.3 2,-0.6 -0.963 27.5-154.2-153.2 125.5 19.7 26.5 71.0 26 29 A H E -A 98 0A 105 -2,-0.3 2,-0.5 72,-0.2 72,-0.2 -0.921 23.0-164.3 -96.9 122.6 17.8 27.9 68.0 27 30 A V E -A 97 0A 6 70,-3.5 70,-3.2 -2,-0.6 2,-0.1 -0.952 10.6-137.9-113.9 121.9 19.4 26.5 64.8 28 31 A K > - 0 0 146 -2,-0.5 3,-1.6 68,-0.2 65,-0.3 -0.439 37.9 -85.6 -76.2 154.7 18.6 28.1 61.4 29 32 A K T 3 S+ 0 0 138 1,-0.2 65,-0.2 65,-0.1 -1,-0.1 -0.344 114.2 31.9 -64.1 138.9 18.0 25.8 58.3 30 33 A G T 3 S+ 0 0 56 63,-3.4 2,-0.4 1,-0.3 -1,-0.2 0.280 85.5 132.2 94.4 -6.9 21.1 24.7 56.5 31 34 A T < - 0 0 64 -3,-1.6 62,-2.5 62,-0.2 2,-0.6 -0.658 54.5-138.7 -80.5 130.8 23.3 24.7 59.7 32 35 A I E +D 92 0B 77 -2,-0.4 60,-0.3 60,-0.2 3,-0.1 -0.808 23.0 178.7 -84.9 119.5 25.4 21.6 60.2 33 36 A I E S+ 0 0 18 58,-2.2 2,-0.3 -2,-0.6 8,-0.2 0.641 71.9 25.7 -97.1 -24.7 25.1 20.9 64.0 34 37 A H E -D 91 0B 4 57,-1.9 57,-2.7 6,-0.1 -1,-0.3 -0.981 60.5-177.3-140.9 132.4 27.3 17.7 63.9 35 38 A N E > -D 90 0B 67 1,-0.4 3,-1.5 -2,-0.3 55,-0.2 -0.658 49.8 -92.8-133.3 73.5 30.1 17.0 61.4 36 39 A G G > S- 0 0 6 53,-2.3 3,-1.0 -2,-0.3 -1,-0.4 -0.200 97.6 -9.0 58.2-138.2 31.6 13.5 62.1 37 40 A N G 3 S+ 0 0 125 1,-0.2 -1,-0.2 -3,-0.1 51,-0.0 0.535 122.2 77.9 -67.8 -11.6 34.7 13.3 64.4 38 41 A X G < S+ 0 0 144 -3,-1.5 2,-0.3 1,-0.0 -1,-0.2 0.885 100.6 35.8 -63.1 -40.7 35.1 17.1 64.3 39 42 A D < + 0 0 68 -3,-1.0 41,-0.2 -4,-0.2 -5,-0.0 -0.817 44.5 169.8-118.8 152.1 32.2 17.6 66.8 40 43 A a + 0 0 41 -2,-0.3 64,-0.3 39,-0.1 38,-0.1 -0.363 24.6 151.0-154.7 64.0 30.9 15.8 69.9 41 44 A T - 0 0 59 36,-0.5 63,-1.3 1,-0.2 2,-0.3 0.965 51.9-103.3 -64.6 -59.0 28.4 18.3 71.3 42 45 A G E -B 103 0A 0 35,-0.7 2,-0.2 61,-0.2 -1,-0.2 -0.959 50.5 -33.4 157.2-173.2 25.8 16.0 73.0 43 46 A L E -B 102 0A 2 59,-1.6 59,-2.4 -2,-0.3 2,-0.4 -0.581 56.8-145.0 -74.9 138.9 22.4 14.4 72.8 44 47 A L E -BC 101 74A 1 30,-1.4 30,-3.1 -2,-0.2 2,-0.6 -0.937 9.6-161.9-111.8 127.9 19.9 16.6 71.0 45 48 A L E -BC 100 73A 10 55,-2.6 55,-1.7 -2,-0.4 2,-0.9 -0.962 20.0-139.2-107.1 115.6 16.2 16.8 72.0 46 49 A V E +B 99 0A 0 26,-2.2 25,-3.2 -2,-0.6 53,-0.2 -0.697 25.0 176.4 -79.8 105.7 14.2 18.3 69.2 47 50 A K E S- 0 0 93 51,-2.0 2,-0.3 -2,-0.9 -1,-0.2 0.932 77.0 -12.1 -69.1 -49.4 11.6 20.7 70.8 48 51 A S E S+B 98 0A 51 50,-1.6 50,-2.9 -3,-0.2 2,-0.3 -0.885 106.4 44.7-158.9 121.3 10.4 21.8 67.4 49 52 A G S S- 0 0 10 -2,-0.3 21,-0.3 48,-0.2 2,-0.3 -0.973 70.5 -74.8 147.0-159.5 11.9 21.4 63.9 50 53 A Q - 0 0 6 45,-0.4 44,-2.3 -2,-0.3 45,-1.2 -0.965 31.1-172.1-149.8 122.2 13.6 18.9 61.5 51 54 A L E -EF 68 93B 0 17,-2.8 17,-2.2 -2,-0.3 2,-0.4 -0.849 10.7-150.0-114.3 152.4 17.1 17.4 61.4 52 55 A R E -EF 67 92B 10 40,-2.7 40,-1.7 -2,-0.3 2,-0.5 -0.973 2.0-160.1-129.6 115.5 18.8 15.3 58.7 53 56 A T E +EF 66 91B 0 13,-2.2 12,-2.4 -2,-0.4 13,-1.3 -0.839 30.7 153.6 -93.8 124.8 21.4 12.6 59.5 54 57 A Y E -EF 64 90B 7 36,-3.1 36,-3.5 -2,-0.5 2,-0.3 -0.911 36.3-127.3-145.5 170.1 23.5 11.8 56.3 55 58 A I E -E 63 0B 67 8,-1.6 8,-1.3 -2,-0.3 2,-0.4 -0.923 16.4-148.1-123.4 149.9 26.8 10.5 55.1 56 59 A L E -E 62 0B 83 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.961 9.6-138.1-119.6 133.7 29.2 12.0 52.5 57 60 A S > - 0 0 47 4,-2.7 3,-2.1 -2,-0.4 0, 0.0 -0.465 35.8-105.0 -78.7 162.7 31.5 10.2 50.1 58 61 A D T 3 S+ 0 0 167 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.698 124.8 56.0 -61.2 -19.2 35.0 11.6 49.6 59 62 A E T 3 S- 0 0 163 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.190 125.2-101.6 -94.3 11.4 33.7 12.9 46.2 60 63 A G S < S+ 0 0 45 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.552 72.9 144.7 79.8 9.6 30.8 14.9 47.9 61 64 A R - 0 0 105 115,-0.1 -4,-2.7 117,-0.0 2,-0.3 -0.553 30.8-160.8 -77.4 147.4 28.0 12.3 47.1 62 65 A E E -E 56 0B 31 115,-0.3 114,-0.8 -6,-0.2 2,-0.3 -0.939 22.0-177.5-133.5 153.0 25.3 12.1 49.8 63 66 A I E -EG 55 175B 28 -8,-1.3 -8,-1.6 -2,-0.3 2,-0.4 -0.959 30.1-123.2-146.3 131.5 22.5 9.8 51.1 64 67 A T E -E 54 0B 16 110,-1.9 -10,-0.3 -2,-0.3 3,-0.1 -0.612 17.8-170.0 -74.1 127.1 20.1 10.5 54.0 65 68 A L E - 0 0 20 -12,-2.4 2,-0.3 1,-0.4 -11,-0.2 0.915 65.3 -38.1 -79.8 -50.3 20.2 7.8 56.7 66 69 A Y E -E 53 0B 13 -13,-1.3 -13,-2.2 69,-0.0 -1,-0.4 -0.970 53.3-118.1-165.4 169.1 17.1 9.1 58.6 67 70 A R E -E 52 0B 20 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.914 14.9-149.5-119.3 146.5 15.3 12.3 59.7 68 71 A L E +E 51 0B 0 -17,-2.2 -17,-2.8 -2,-0.3 2,-0.1 -0.961 20.8 179.5-115.3 132.8 14.5 13.5 63.2 69 72 A F > - 0 0 69 -2,-0.4 3,-1.7 1,-0.2 -23,-0.3 -0.390 46.4 -34.5-116.6-169.0 11.3 15.6 63.9 70 73 A D T 3 S+ 0 0 72 -21,-0.3 -1,-0.2 1,-0.2 -23,-0.2 -0.298 129.4 12.6 -53.2 134.1 9.6 17.2 66.9 71 74 A X T 3 S+ 0 0 122 -25,-3.2 -1,-0.2 1,-0.3 -24,-0.1 0.183 96.9 124.3 78.2 -11.1 10.2 15.1 70.1 72 75 A D < - 0 0 50 -3,-1.7 -26,-2.2 -26,-0.1 2,-0.4 -0.273 53.9-133.9 -70.0 162.3 12.9 12.8 68.6 73 76 A X E -C 45 0A 9 -28,-0.2 2,-0.6 -3,-0.1 -28,-0.2 -0.982 4.9-141.7-120.5 137.6 16.3 12.5 70.3 74 77 A C E +C 44 0A 0 -30,-3.1 -30,-1.4 -2,-0.4 50,-0.0 -0.872 25.2 167.3 -97.9 121.0 19.6 12.6 68.5 75 78 A L S > S+ 0 0 1 -2,-0.6 3,-2.2 -32,-0.2 -1,-0.2 0.803 70.1 63.4 -96.1 -42.1 22.2 10.1 69.8 76 79 A L G > S+ 0 0 11 1,-0.3 3,-1.1 2,-0.2 13,-0.2 0.537 86.1 73.1 -68.2 -10.8 24.9 10.2 67.1 77 80 A S G 3 S+ 0 0 0 1,-0.2 -35,-0.7 -35,-0.1 -36,-0.5 0.589 104.7 42.2 -71.4 -16.3 25.6 13.9 67.8 78 81 A A G X S+ 0 0 0 -3,-2.2 3,-2.1 -37,-0.2 -1,-0.2 -0.105 77.5 135.8-115.6 31.3 27.3 12.4 71.0 79 82 A S G X + 0 0 16 -3,-1.1 3,-1.8 1,-0.3 6,-0.3 0.737 59.7 69.8 -50.8 -33.6 29.0 9.4 69.1 80 83 A a G 3 S+ 0 0 88 1,-0.3 -1,-0.3 -41,-0.2 -40,-0.1 0.667 82.6 71.9 -62.2 -20.8 32.3 9.9 70.9 81 84 A I G < S+ 0 0 19 -3,-2.1 2,-0.4 1,-0.2 -1,-0.3 0.515 97.0 57.3 -72.3 -7.4 30.8 8.7 74.2 82 85 A X X - 0 0 35 -3,-1.8 3,-1.7 -4,-0.1 -1,-0.2 -0.942 68.6-162.2-127.3 107.8 30.7 5.1 72.6 83 86 A R T 3 S+ 0 0 83 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.832 88.4 62.8 -54.2 -37.3 34.1 3.8 71.5 84 87 A S T 3 S+ 0 0 118 2,-0.1 2,-1.2 1,-0.1 -1,-0.3 0.518 74.4 96.1 -72.0 -9.0 32.4 1.1 69.3 85 88 A I < + 0 0 29 -3,-1.7 -3,-0.1 -6,-0.3 -1,-0.1 -0.764 49.0 168.6 -80.6 98.2 30.7 3.7 67.0 86 89 A Q + 0 0 169 -2,-1.2 2,-0.3 2,-0.0 -1,-0.1 -0.169 45.4 79.2-109.0 36.7 33.4 3.6 64.2 87 90 A F - 0 0 103 -8,-0.0 2,-0.3 -51,-0.0 -51,-0.0 -0.979 68.2-135.8-138.9 149.5 31.5 5.5 61.5 88 91 A E - 0 0 107 -2,-0.3 2,-0.3 -53,-0.0 -2,-0.0 -0.826 18.5-174.7-111.1 145.8 30.9 9.2 61.1 89 92 A V - 0 0 2 -2,-0.3 -53,-2.3 -13,-0.2 2,-0.4 -0.941 20.4-132.6-133.5 154.5 27.7 11.0 60.1 90 93 A T E -DF 35 54B 9 -36,-3.5 -36,-3.1 -2,-0.3 2,-0.4 -0.943 20.1-166.2-109.9 131.2 26.7 14.6 59.3 91 94 A I E +DF 34 53B 0 -57,-2.7 -58,-2.2 -2,-0.4 -57,-1.9 -0.984 14.7 167.0-120.3 128.8 23.6 16.1 61.0 92 95 A E E -DF 32 52B 36 -40,-1.7 -40,-2.7 -2,-0.4 2,-0.6 -0.969 39.3-102.0-141.1 157.9 22.0 19.4 59.8 93 96 A A E - F 0 51B 1 -62,-2.5 -63,-3.4 -65,-0.3 -42,-0.3 -0.691 24.2-175.6 -82.3 117.7 18.8 21.4 60.3 94 97 A E S S+ 0 0 29 -44,-2.3 2,-0.3 -2,-0.6 -43,-0.2 0.674 80.5 15.5 -81.6 -25.5 16.4 21.0 57.3 95 98 A K S S- 0 0 57 -45,-1.2 -45,-0.4 -68,-0.1 2,-0.2 -0.876 111.1 -70.4-135.3 166.3 14.1 23.6 58.8 96 99 A D - 0 0 80 -2,-0.3 2,-0.4 -67,-0.1 -68,-0.2 -0.486 63.7-161.0 -60.0 126.2 14.7 26.2 61.6 97 100 A T E -A 27 0A 0 -70,-3.2 -70,-3.5 -2,-0.2 2,-0.6 -0.954 24.2-150.2-127.1 135.2 15.0 24.0 64.8 98 101 A D E +AB 26 48A 60 -50,-2.9 -51,-2.0 -2,-0.4 -50,-1.6 -0.913 33.3 176.8 -98.4 116.2 14.7 24.6 68.5 99 102 A L E -AB 25 46A 2 -74,-3.0 -74,-2.2 -2,-0.6 2,-0.4 -0.812 29.0-149.0-119.8 157.0 16.9 22.1 70.4 100 103 A W E -AB 24 45A 46 -55,-1.7 -55,-2.6 -2,-0.3 2,-0.5 -0.958 20.1-152.4-115.8 140.8 18.0 21.2 73.9 101 104 A I E -AB 23 44A 11 -78,-2.0 -78,-1.8 -2,-0.4 -57,-0.2 -0.979 8.1-159.9-118.0 125.8 21.5 19.8 74.2 102 105 A I E - B 0 43A 9 -59,-2.4 -59,-1.6 -2,-0.5 -80,-0.1 -0.953 38.2-114.1 -97.7 112.5 22.4 17.4 77.1 103 106 A P E > - B 0 42A 15 0, 0.0 4,-2.3 0, 0.0 -61,-0.2 -0.204 17.4-126.8 -50.1 139.8 26.3 17.6 77.2 104 107 A A H > S+ 0 0 5 -63,-1.3 4,-3.2 -64,-0.3 5,-0.2 0.883 106.9 52.7 -57.9 -47.7 28.1 14.3 76.2 105 108 A E H > S+ 0 0 141 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.872 113.2 46.0 -56.6 -40.1 30.3 14.1 79.4 106 109 A I H > S+ 0 0 22 2,-0.2 4,-1.9 -3,-0.2 -2,-0.2 0.908 115.1 44.5 -68.3 -48.5 27.2 14.6 81.6 107 110 A Y H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.919 113.3 51.9 -64.5 -44.5 25.0 12.0 79.7 108 111 A K H X S+ 0 0 117 -4,-3.2 4,-1.5 1,-0.2 -2,-0.2 0.868 108.8 52.0 -55.1 -45.1 28.0 9.5 79.6 109 112 A G H X S+ 0 0 35 -4,-1.8 4,-0.9 -5,-0.2 -1,-0.2 0.899 111.3 44.7 -60.1 -48.1 28.4 9.9 83.4 110 113 A I H X S+ 0 0 11 -4,-1.9 4,-2.0 1,-0.2 3,-0.3 0.853 111.6 55.2 -63.0 -39.1 24.8 9.1 84.1 111 114 A X H < S+ 0 0 32 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.808 99.7 60.3 -65.4 -35.1 24.9 6.2 81.6 112 115 A K H < S+ 0 0 178 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.875 118.3 28.2 -60.6 -40.8 27.9 4.6 83.5 113 116 A D H < S+ 0 0 129 -4,-0.9 2,-0.6 -3,-0.3 -2,-0.2 0.646 108.9 74.7 -97.3 -22.8 25.8 4.2 86.7 114 117 A S X - 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0 0 68 -2,-0.3 4,-1.3 1,-0.1 5,-0.1 -0.454 26.3-116.3 -87.0 164.8 16.1 21.2 43.6 168 171 A H H > S+ 0 0 40 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.805 116.5 60.9 -70.2 -30.2 17.0 18.0 41.8 169 172 A E H > S+ 0 0 95 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.887 101.3 52.0 -60.5 -45.8 20.4 18.1 43.7 170 173 A T H > S+ 0 0 50 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.883 111.1 46.8 -60.7 -42.2 18.5 17.8 47.1 171 174 A I H X S+ 0 0 0 -4,-1.3 4,-2.1 2,-0.2 3,-0.4 0.953 113.4 49.0 -65.3 -49.7 16.5 14.8 45.9 172 175 A A H X>S+ 0 0 2 -4,-2.4 5,-2.2 1,-0.2 4,-1.2 0.873 111.5 50.3 -54.0 -42.8 19.8 13.2 44.5 173 176 A N H <5S+ 0 0 49 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.763 109.8 50.8 -68.9 -29.5 21.5 14.0 47.9 174 177 A H H <5S+ 0 0 12 -4,-1.5 -110,-1.9 -3,-0.4 -2,-0.2 0.891 119.5 34.8 -70.7 -41.0 18.6 12.3 49.8 175 178 A L H <5S-G 63 0B 10 -4,-2.1 -2,-0.2 -112,-0.2 -112,-0.2 0.464 107.9-110.9 -96.0 -5.4 18.7 9.1 47.7 176 179 A G T <5S+ 0 0 30 -4,-1.2 -3,-0.2 -114,-0.8 2,-0.2 0.826 79.0 120.2 74.3 32.1 22.4 8.6 47.0 177 180 A S < - 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