==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 17-FEB-10 3LUA . COMPND 2 MOLECULE: RESPONSE REGULATOR RECEIVER PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR L.SATYANARAYANA,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEAR . 125 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6683.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 95 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 16.0 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 . 13 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 34.4 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+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 1 0 0 0 1 1 0 0 1 1 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 -1 A L 0 0 133 0, 0.0 2,-0.3 0, 0.0 27,-0.2 0.000 360.0 360.0 360.0 82.0 55.5 45.4 13.3 2 2 A D + 0 0 95 25,-1.7 2,-0.1 1,-0.2 26,-0.1 -0.321 360.0 2.8-103.9 52.9 52.5 47.6 13.5 3 3 A G - 0 0 13 -2,-0.3 26,-4.1 23,-0.1 2,-0.5 -0.328 53.0-134.7 141.1 138.0 50.6 46.3 10.5 4 4 A T E -a 29 0A 27 24,-0.2 46,-1.6 44,-0.2 47,-1.2 -0.964 25.8-164.9-115.1 122.7 50.3 43.7 7.6 5 5 A V E -ab 30 51A 0 24,-3.9 26,-2.9 -2,-0.5 2,-0.6 -0.877 11.4-145.3-112.7 142.0 49.4 45.1 4.2 6 6 A L E -ab 31 52A 0 45,-2.8 47,-2.8 -2,-0.4 2,-0.7 -0.925 11.4-161.8-108.1 117.0 48.2 43.0 1.2 7 7 A L E -ab 32 53A 4 24,-2.1 26,-3.1 -2,-0.6 2,-0.8 -0.879 6.1-174.1-101.7 112.0 49.3 44.4 -2.2 8 8 A I E +ab 33 54A 1 45,-2.6 47,-2.1 -2,-0.7 2,-0.3 -0.888 34.7 121.5-108.3 100.8 47.3 43.0 -5.1 9 9 A D - 0 0 11 24,-1.8 6,-0.1 -2,-0.8 49,-0.1 -0.901 56.1-143.3-165.8 132.0 48.9 44.3 -8.3 10 10 A Y S S+ 0 0 82 47,-0.3 2,-0.7 -2,-0.3 -1,-0.1 0.726 83.7 81.9 -66.0 -28.0 50.4 42.7 -11.4 11 11 A F >> - 0 0 95 1,-0.2 4,-1.9 2,-0.0 3,-0.6 -0.748 62.2-161.8 -90.0 110.8 53.1 45.4 -11.7 12 12 A E H 3> S+ 0 0 124 -2,-0.7 4,-2.6 1,-0.3 5,-0.2 0.889 91.4 54.5 -57.8 -42.1 56.1 44.8 -9.5 13 13 A Y H 3> S+ 0 0 138 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.823 106.7 51.7 -64.3 -29.4 57.3 48.4 -9.8 14 14 A E H <> S+ 0 0 23 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.914 110.4 48.9 -71.9 -39.5 53.9 49.7 -8.6 15 15 A R H X S+ 0 0 17 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.921 112.3 47.5 -63.8 -43.1 54.1 47.4 -5.6 16 16 A E H X S+ 0 0 71 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.922 110.5 52.5 -62.9 -43.4 57.6 48.5 -4.8 17 17 A K H X S+ 0 0 100 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.900 110.2 49.4 -59.0 -41.3 56.5 52.2 -5.2 18 18 A T H X S+ 0 0 7 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.897 107.2 52.3 -67.0 -42.4 53.7 51.5 -2.7 19 19 A K H >< S+ 0 0 52 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.907 106.6 55.8 -61.2 -39.2 55.8 49.8 -0.1 20 20 A I H >< S+ 0 0 104 -4,-2.1 3,-3.3 1,-0.3 4,-0.3 0.933 98.8 58.5 -57.0 -50.7 58.1 52.9 -0.2 21 21 A I H >X S+ 0 0 9 -4,-1.6 3,-1.3 1,-0.3 4,-0.9 0.796 97.1 65.5 -50.7 -28.9 55.3 55.3 0.6 22 22 A F H S- 0 0 48 1,-0.1 4,-2.2 23,-0.0 3,-0.4 -0.979 79.0 -86.7-162.6 173.0 48.5 37.6 -10.2 36 36 A L H > S+ 0 0 25 -2,-0.3 4,-2.2 1,-0.2 5,-0.4 0.911 122.1 54.4 -50.2 -51.0 45.2 35.8 -10.2 37 37 A K H > S+ 0 0 140 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.848 108.7 47.8 -54.2 -41.2 46.9 32.5 -9.5 38 38 A K H 4 S+ 0 0 69 -3,-0.4 4,-0.5 2,-0.2 -1,-0.2 0.918 110.6 52.7 -70.0 -40.9 48.7 33.8 -6.5 39 39 A F H >X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 3,-2.1 0.975 113.1 39.7 -57.2 -62.9 45.5 35.4 -5.1 40 40 A Y H 3< S+ 0 0 87 -4,-2.2 4,-0.4 1,-0.3 -1,-0.2 0.794 108.9 65.4 -58.6 -28.6 43.3 32.3 -5.2 41 41 A S T 3< S+ 0 0 75 -4,-1.2 -1,-0.3 -5,-0.4 -2,-0.2 0.603 122.4 11.9 -70.5 -11.7 46.2 30.2 -4.1 42 42 A I T X> S+ 0 0 31 -3,-2.1 3,-3.0 -4,-0.5 4,-1.0 0.532 93.0 97.3-141.5 -14.1 46.4 32.0 -0.7 43 43 A F T 3< S+ 0 0 29 -4,-2.9 3,-0.2 1,-0.3 -3,-0.1 0.757 85.8 58.2 -58.8 -20.9 43.3 34.1 0.0 44 44 A K T 34 S+ 0 0 105 -4,-0.4 -1,-0.3 1,-0.2 32,-0.1 0.595 106.2 51.3 -81.8 -7.2 41.8 31.3 2.1 45 45 A D T <4 S+ 0 0 119 -3,-3.0 -2,-0.2 2,-0.0 -1,-0.2 0.585 82.2 117.8 -99.3 -15.7 44.9 31.5 4.2 46 46 A L < + 0 0 15 -4,-1.0 2,-0.4 -3,-0.2 30,-0.1 -0.312 39.3 174.8 -57.8 126.8 44.7 35.2 4.8 47 47 A D - 0 0 107 1,-0.2 30,-0.1 -2,-0.1 -2,-0.0 -1.000 55.7 -6.1-139.6 134.6 44.3 36.1 8.4 48 48 A S + 0 0 90 28,-0.4 2,-0.5 -2,-0.4 -44,-0.2 0.925 69.0 177.9 47.2 65.1 44.2 39.5 10.2 49 49 A I - 0 0 10 27,-0.4 -1,-0.2 1,-0.1 3,-0.1 -0.842 17.2-161.9 -94.3 125.9 45.1 41.8 7.3 50 50 A T S S+ 0 0 46 -46,-1.6 2,-0.3 -2,-0.5 -45,-0.2 0.769 72.0 8.6 -81.8 -23.9 45.1 45.4 8.4 51 51 A L E -b 5 0A 0 -47,-1.2 -45,-2.8 29,-0.1 2,-0.5 -0.921 56.0-157.3-162.4 134.1 44.8 46.8 4.9 52 52 A I E -bc 6 82A 2 29,-2.8 31,-3.4 -2,-0.3 2,-0.5 -0.936 9.8-175.4-112.5 125.4 44.3 45.7 1.3 53 53 A I E +bc 7 83A 8 -47,-2.8 -45,-2.6 -2,-0.5 2,-0.3 -0.981 20.4 166.1-119.5 119.4 45.6 47.9 -1.5 54 54 A X E -bc 8 84A 3 29,-1.9 31,-2.1 -2,-0.5 2,-0.7 -0.956 40.9-131.4-139.9 157.8 44.6 46.6 -5.0 55 55 A D - 0 0 3 -47,-2.1 31,-0.2 -2,-0.3 -45,-0.1 -0.919 19.2-151.4-102.3 111.8 44.4 47.5 -8.6 56 56 A I S S+ 0 0 1 -2,-0.7 2,-2.1 1,-0.2 8,-0.8 0.754 86.6 82.2 -56.3 -26.0 40.9 46.4 -9.9 57 57 A A + 0 0 17 7,-0.1 -47,-0.3 6,-0.1 4,-0.2 -0.624 67.5 175.2 -78.6 85.1 42.4 45.8 -13.3 58 58 A F S S- 0 0 2 -2,-2.1 9,-0.1 2,-1.1 -1,-0.1 -0.594 92.3 -45.3-129.5 72.9 43.7 42.4 -12.2 59 59 A P S S+ 0 0 67 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.974 143.3 6.8 -83.4 -15.5 44.6 42.0 -14.9 60 60 A V S >> S- 0 0 72 -3,-0.1 4,-1.9 -4,-0.1 3,-1.5 -0.916 80.8-107.2-123.9 153.6 41.3 43.4 -16.2 61 61 A E H 3> S+ 0 0 35 -2,-0.3 4,-3.1 1,-0.3 5,-0.3 0.815 115.7 58.8 -47.2 -45.0 38.4 44.9 -14.2 62 62 A K H 3> S+ 0 0 124 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.859 110.8 44.3 -58.0 -33.2 36.1 42.0 -14.5 63 63 A E H <> S+ 0 0 57 -3,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.903 113.1 49.5 -77.5 -42.2 38.8 39.8 -12.8 64 64 A G H X S+ 0 0 1 -4,-1.9 4,-3.0 -8,-0.8 -2,-0.2 0.900 109.2 53.0 -61.8 -41.3 39.6 42.4 -10.1 65 65 A L H X S+ 0 0 22 -4,-3.1 4,-2.8 -9,-0.3 -1,-0.2 0.921 108.1 50.4 -60.7 -43.4 35.9 42.8 -9.3 66 66 A E H X S+ 0 0 81 -4,-1.4 4,-2.7 -5,-0.3 -1,-0.2 0.911 111.5 48.6 -61.3 -40.8 35.5 39.1 -8.8 67 67 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.929 109.3 52.8 -63.2 -46.3 38.5 39.1 -6.5 68 68 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.944 110.5 47.5 -54.5 -51.0 37.0 42.1 -4.6 69 69 A S H X S+ 0 0 41 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.939 110.1 52.2 -56.1 -49.6 33.8 40.1 -4.2 70 70 A A H X S+ 0 0 21 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.892 109.4 50.9 -54.1 -41.5 35.7 37.0 -3.0 71 71 A I H >< S+ 0 0 3 -4,-2.6 3,-0.8 1,-0.2 -1,-0.2 0.929 112.3 45.4 -63.2 -45.6 37.5 39.2 -0.5 72 72 A R H 3< S+ 0 0 40 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.809 114.7 47.6 -69.8 -29.8 34.2 40.6 0.8 73 73 A N H 3< S+ 0 0 129 -4,-2.6 2,-0.6 -5,-0.2 -1,-0.2 0.435 90.2 96.8 -92.2 1.9 32.5 37.3 1.0 74 74 A N S XX S- 0 0 3 -3,-0.8 3,-1.9 -4,-0.5 4,-1.0 -0.828 72.5-140.9 -93.8 121.7 35.5 35.6 2.7 75 75 A S G >4 S+ 0 0 108 -2,-0.6 3,-1.0 1,-0.3 4,-0.3 0.891 97.5 51.0 -45.0 -58.8 34.9 35.5 6.5 76 76 A R G 34 S+ 0 0 114 1,-0.2 -27,-0.4 2,-0.1 -28,-0.4 0.453 125.9 27.2 -64.7 -1.4 38.5 36.3 7.6 77 77 A T G X4 S+ 0 0 5 -3,-1.9 3,-0.6 -6,-0.2 -1,-0.2 0.294 81.5 113.6-142.5 8.9 38.6 39.4 5.3 78 78 A A T << S+ 0 0 28 -3,-1.0 -3,-0.1 -4,-1.0 -2,-0.1 0.762 92.8 28.4 -57.0 -29.9 35.0 40.6 4.9 79 79 A N T 3 S+ 0 0 152 -4,-0.3 -1,-0.2 2,-0.1 -7,-0.1 0.418 85.1 129.2-112.6 -0.9 35.6 43.9 6.8 80 80 A T < - 0 0 15 -3,-0.6 2,-0.1 -9,-0.2 -29,-0.1 -0.349 69.0-109.7 -56.1 126.1 39.2 44.3 6.0 81 81 A P - 0 0 34 0, 0.0 -29,-2.8 0, 0.0 2,-0.4 -0.403 35.0-157.7 -64.5 131.4 39.6 47.9 4.6 82 82 A V E -c 52 0A 0 19,-0.2 21,-2.5 -31,-0.2 22,-0.8 -0.939 10.5-166.6-116.9 131.3 40.4 48.0 0.9 83 83 A I E -cd 53 104A 0 -31,-3.4 -29,-1.9 -2,-0.4 2,-0.6 -0.971 13.4-150.6-115.6 118.0 42.0 50.9 -1.0 84 84 A I E +cd 54 105A 0 20,-2.4 22,-3.6 -2,-0.5 2,-0.5 -0.799 18.2 175.2 -93.7 126.4 41.7 50.7 -4.7 85 85 A A E + d 0 106A 4 -31,-2.1 2,-0.3 -2,-0.6 22,-0.2 -0.986 21.0 166.2-127.7 113.4 44.6 52.3 -6.6 86 86 A T E - d 0 107A 0 20,-3.6 22,-2.7 -2,-0.5 -31,-0.1 -0.940 49.4-146.0-139.9 159.7 44.3 51.7 -10.3 87 87 A K S S+ 0 0 123 -2,-0.3 2,-0.4 20,-0.2 -1,-0.1 0.618 82.8 87.6 -88.8 -22.0 45.4 52.7 -13.8 88 88 A S + 0 0 16 1,-0.1 -2,-0.1 2,-0.0 -32,-0.1 -0.691 47.6 177.6 -84.4 136.6 42.0 52.0 -15.2 89 89 A D + 0 0 108 -2,-0.4 -1,-0.1 18,-0.1 18,-0.0 -0.022 23.7 147.3-125.1 25.9 39.4 54.8 -15.2 90 90 A N > - 0 0 71 1,-0.2 4,-1.4 2,-0.1 5,-0.1 -0.503 45.4-141.5 -60.9 129.9 36.5 53.1 -16.9 91 91 A P H > S+ 0 0 97 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.904 94.1 49.9 -63.9 -47.3 33.5 54.8 -15.2 92 92 A G H > S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.854 109.1 50.4 -63.7 -37.1 31.3 51.7 -15.0 93 93 A Y H > S+ 0 0 86 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.871 112.6 47.6 -70.3 -36.0 33.9 49.4 -13.5 94 94 A R H X S+ 0 0 88 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.937 112.8 48.5 -65.6 -49.8 34.7 52.0 -10.8 95 95 A H H X S+ 0 0 114 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.903 112.0 49.7 -57.7 -42.9 31.0 52.5 -10.1 96 96 A A H >X S+ 0 0 29 -4,-2.4 3,-1.0 1,-0.2 4,-0.5 0.868 106.5 56.5 -64.8 -36.6 30.6 48.7 -9.9 97 97 A A H >< S+ 0 0 0 -4,-1.8 3,-1.0 1,-0.2 -1,-0.2 0.857 98.4 60.8 -64.6 -36.2 33.6 48.5 -7.5 98 98 A L H 3< S+ 0 0 79 -4,-1.7 -1,-0.2 1,-0.2 4,-0.2 0.674 87.8 72.9 -67.3 -17.4 32.0 50.9 -5.0 99 99 A K H << S+ 0 0 144 -3,-1.0 2,-0.3 -4,-0.5 -1,-0.2 0.854 93.5 57.1 -67.3 -33.3 29.1 48.5 -4.5 100 100 A F S << S- 0 0 63 -3,-1.0 2,-0.5 -4,-0.5 -31,-0.1 -0.688 116.9-103.5 -83.9 154.7 31.4 46.2 -2.6 101 101 A K + 0 0 169 -2,-0.3 2,-0.3 2,-0.0 -19,-0.2 -0.745 50.1 169.8 -91.0 129.1 32.5 48.7 0.1 102 102 A V - 0 0 27 -2,-0.5 -19,-0.2 -4,-0.2 3,-0.1 -0.949 36.5-132.2-132.6 151.5 36.0 50.1 -0.3 103 103 A S S S- 0 0 62 -21,-2.5 2,-0.3 -2,-0.3 -20,-0.2 0.643 82.3 -6.1 -78.7 -18.0 37.7 53.0 1.6 104 104 A D E -d 83 0A 37 -22,-0.8 -20,-2.4 2,-0.0 2,-0.4 -0.982 49.6-143.0-170.9 161.9 39.0 54.8 -1.5 105 105 A Y E -d 84 0A 8 -2,-0.3 2,-0.4 -22,-0.2 -20,-0.2 -0.941 25.1-177.0-138.2 111.6 39.5 54.8 -5.3 106 106 A I E -d 85 0A 1 -22,-3.6 -20,-3.6 -2,-0.4 2,-0.3 -0.926 15.4-141.2-118.0 134.9 42.7 56.2 -6.6 107 107 A L E -d 86 0A 63 -2,-0.4 -20,-0.2 -22,-0.2 -18,-0.1 -0.706 33.6 -88.3 -94.9 144.8 43.7 56.7 -10.2 108 108 A K S S+ 0 0 17 -22,-2.7 2,-0.1 -2,-0.3 -23,-0.0 -0.800 105.7 41.2-101.8 139.9 47.3 56.1 -11.5 109 109 A P S S+ 0 0 115 0, 0.0 -2,-0.1 0, 0.0 -23,-0.0 0.550 81.1 168.6 -76.1 157.9 49.5 58.0 -11.7 110 110 A Y - 0 0 25 -2,-0.1 5,-0.1 -4,-0.1 -2,-0.1 -0.997 42.9-100.3-135.7 138.7 48.8 59.6 -8.3 111 111 A P >> - 0 0 69 0, 0.0 3,-2.3 0, 0.0 4,-0.8 -0.356 36.5-117.1 -58.5 137.7 51.1 62.0 -6.4 112 112 A T T 34 S+ 0 0 70 1,-0.3 4,-0.2 2,-0.2 0, 0.0 0.283 116.9 62.7 -60.4 17.0 52.9 60.0 -3.7 113 113 A K T 3> S+ 0 0 124 -2,-0.1 4,-1.8 2,-0.1 -1,-0.3 0.682 89.3 64.1-109.0 -33.6 50.9 62.2 -1.4 114 114 A R H <> S+ 0 0 96 -3,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.880 106.7 42.2 -57.0 -45.7 47.4 61.1 -2.4 115 115 A L H X S+ 0 0 0 -4,-0.8 4,-2.8 2,-0.2 5,-0.2 0.866 107.5 61.0 -71.6 -40.5 47.9 57.5 -1.1 116 116 A E H > S+ 0 0 42 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.938 107.9 42.7 -52.7 -55.3 49.6 58.6 2.1 117 117 A N H X S+ 0 0 100 -4,-1.8 4,-3.2 2,-0.2 -1,-0.2 0.950 111.7 55.4 -56.8 -53.3 46.6 60.6 3.3 118 118 A S H X S+ 0 0 7 -4,-1.5 4,-2.3 1,-0.2 5,-0.3 0.922 110.4 44.8 -45.4 -55.5 44.2 57.9 2.2 119 119 A V H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.955 114.1 50.0 -55.4 -52.7 46.1 55.2 4.3 120 120 A R H X S+ 0 0 65 -4,-2.5 4,-1.2 -5,-0.2 -1,-0.2 0.839 115.9 42.0 -55.6 -39.8 46.3 57.6 7.3 121 121 A S H >< S+ 0 0 77 -4,-3.2 3,-2.0 2,-0.2 -2,-0.2 0.986 115.5 47.5 -69.1 -71.1 42.6 58.4 7.1 122 122 A V H 3< S+ 0 0 36 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.739 125.0 33.7 -37.8 -36.3 41.4 54.9 6.5 123 123 A L H 3< S- 0 0 40 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.556 107.0-126.0-102.6 -8.9 43.7 53.6 9.3 124 124 A K << 0 0 165 -3,-2.0 -1,-0.1 -4,-1.2 -3,-0.1 0.170 360.0 360.0 75.8 159.6 43.5 56.6 11.8 125 125 A I 0 0 141 -3,-0.0 -4,-0.0 -4,-0.0 -5,-0.0 -0.534 360.0 360.0 179.1 360.0 46.9 58.0 12.8