==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RECOMBINATION 04-APR-03 1UBF . COMPND 2 MOLECULE: RECA; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR S.DATTA,R.KRISHNA,N.GANESH,N.R.CHANDRA,K.MUNIYAPPA,M.VIJAYAN . 311 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16357.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 10.0 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 35 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 1 2 1 0 0 0 0 2 0 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 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 . 2 1 0 1 0 0 2 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 1 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 Q 0 0 165 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 177.3 -29.8 39.3 32.8 2 5 A A + 0 0 95 1,-0.2 3,-0.1 3,-0.0 6,-0.0 0.206 360.0 86.7-159.3 -74.9 -30.1 42.8 31.2 3 6 A P S S- 0 0 82 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 0.279 77.0 -90.2 -47.3 165.1 -28.1 44.2 28.1 4 7 A D >> - 0 0 111 1,-0.1 3,-1.5 4,-0.0 4,-0.9 -0.736 47.6-112.3 -82.2 115.1 -28.7 44.1 24.4 5 8 A R H >> S+ 0 0 194 -2,-0.7 4,-1.9 1,-0.3 3,-1.5 0.637 115.6 56.3 -8.6 -62.4 -26.8 41.0 23.2 6 9 A E H >> S+ 0 0 60 1,-0.3 4,-2.7 2,-0.2 3,-1.2 0.926 103.5 49.8 -42.7 -65.8 -24.4 43.3 21.3 7 10 A K H <4 S+ 0 0 169 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.657 119.6 40.4 -54.9 -15.9 -23.3 45.3 24.3 8 11 A A H S+ 0 0 114 -5,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.977 115.4 29.9 -71.2 -58.6 -17.9 42.8 26.1 12 15 A A H X S+ 0 0 45 -4,-1.4 4,-3.3 2,-0.2 -2,-0.2 0.952 117.3 58.9 -64.3 -49.9 -17.0 39.2 26.3 13 16 A M H X S+ 0 0 35 -4,-3.4 4,-1.8 1,-0.3 12,-0.3 0.822 109.0 45.3 -48.9 -34.5 -15.6 39.1 22.8 14 17 A A H X S+ 0 0 43 -4,-1.1 4,-2.2 2,-0.2 -1,-0.3 0.863 108.2 56.9 -76.0 -39.8 -13.2 41.8 23.9 15 18 A Q H X S+ 0 0 95 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.931 106.0 52.9 -53.3 -45.6 -12.6 39.7 27.1 16 19 A I H X>S+ 0 0 56 -4,-3.3 4,-3.1 1,-0.2 5,-0.7 0.965 105.5 51.1 -54.5 -59.6 -11.6 37.0 24.6 17 20 A D H X5S+ 0 0 49 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.857 109.2 52.0 -46.2 -44.0 -9.1 39.1 22.7 18 21 A K H <5S+ 0 0 168 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.950 117.2 38.2 -60.1 -49.4 -7.4 40.1 26.0 19 22 A N H <5S+ 0 0 108 -4,-2.2 -2,-0.2 -3,-0.2 -1,-0.2 0.813 135.3 15.2 -74.5 -34.4 -7.0 36.4 27.1 20 23 A F H <5S- 0 0 168 -4,-3.1 2,-0.3 1,-0.3 -3,-0.2 0.698 111.2 -92.2-115.6 -26.0 -6.2 34.7 23.7 21 24 A G << - 0 0 29 -4,-1.3 -1,-0.3 -5,-0.7 4,-0.2 -0.992 40.3 -64.5 151.4-159.7 -5.2 37.4 21.2 22 25 A K S > S+ 0 0 78 -2,-0.3 3,-0.5 2,-0.1 2,-0.3 0.888 119.9 43.5 -93.8 -67.4 -6.3 39.8 18.5 23 26 A G T 3 S+ 0 0 16 211,-0.3 3,-0.1 1,-0.2 213,-0.1 0.205 85.8 104.7 -67.8 19.6 -7.5 37.6 15.7 24 27 A S T 3 S+ 0 0 42 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.998 85.2 20.5 -63.2 -69.2 -9.4 35.3 18.0 25 28 A V S < S+ 0 0 58 -3,-0.5 2,-0.3 -12,-0.3 -1,-0.2 -0.904 76.6 166.0-108.7 126.7 -13.0 36.3 17.4 26 29 A M - 0 0 54 -2,-0.5 2,-0.8 -3,-0.1 -3,-0.0 -0.985 36.6-136.2-141.3 149.5 -14.0 38.1 14.2 27 30 A R > - 0 0 133 -2,-0.3 3,-2.3 1,-0.1 -2,-0.0 -0.906 29.7-132.9-106.0 106.7 -17.1 39.1 12.3 28 31 A L T 3 S+ 0 0 96 -2,-0.8 -1,-0.1 1,-0.3 -2,-0.0 0.530 100.6 65.0 -32.5 -14.2 -16.2 38.4 8.7 29 32 A G T 3 S+ 0 0 63 2,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.902 77.1 116.5 -82.0 -40.6 -17.6 41.8 7.7 30 33 A E < - 0 0 101 -3,-2.3 -4,-0.0 1,-0.1 0, 0.0 0.360 53.1-157.7 -30.8 149.8 -15.0 43.9 9.6 31 34 A E - 0 0 180 205,-0.1 -1,-0.1 3,-0.0 -3,-0.0 0.305 37.2-178.5-107.9 -3.7 -12.4 46.4 8.1 32 35 A V - 0 0 65 2,-0.0 0, 0.0 204,-0.0 0, 0.0 0.478 33.1 -60.8 -9.4 120.1 -10.4 46.0 11.3 33 36 A R - 0 0 77 1,-0.1 0, 0.0 203,-0.1 0, 0.0 0.654 40.2-121.1 19.6-175.7 -7.2 48.0 11.6 34 37 A Q - 0 0 99 19,-0.0 2,-0.5 278,-0.0 -1,-0.1 -0.586 12.9-152.2-157.1 86.0 -3.9 48.2 9.6 35 38 A P - 0 0 82 0, 0.0 2,-2.6 0, 0.0 0, 0.0 -0.517 31.5-120.8 -64.1 114.2 -0.5 47.4 11.4 36 39 A I S S+ 0 0 168 -2,-0.5 2,-0.4 2,-0.0 16,-0.0 0.303 88.5 94.4 -41.6 13.3 2.0 49.5 9.3 37 40 A S + 0 0 44 -2,-2.6 2,-0.2 20,-0.1 17,-0.1 -0.921 44.2 125.4-113.9 135.2 3.8 46.2 8.6 38 41 A V - 0 0 43 -2,-0.4 17,-0.1 18,-0.2 15,-0.0 -0.710 45.8-136.0 173.7 130.6 3.2 44.1 5.5 39 42 A I B -A 55 0A 3 16,-2.6 16,-2.1 -2,-0.2 39,-0.1 -0.882 30.0-127.4 -99.7 118.2 5.1 42.7 2.6 40 43 A P - 0 0 54 0, 0.0 42,-0.3 0, 0.0 41,-0.2 -0.236 9.9-150.1 -57.2 151.7 3.5 43.2 -0.8 41 44 A T - 0 0 0 12,-0.2 37,-0.2 2,-0.2 36,-0.1 0.423 38.9-111.6-104.2 -0.9 3.1 39.9 -2.6 42 45 A G S S+ 0 0 31 1,-0.1 2,-0.8 35,-0.1 3,-0.1 0.171 96.4 97.0 91.5 -19.8 3.3 41.5 -6.1 43 46 A S >> - 0 0 0 1,-0.2 4,-2.5 201,-0.0 3,-0.6 -0.868 54.4-169.3-107.1 101.2 -0.3 40.7 -6.6 44 47 A I H 3> S+ 0 0 11 -2,-0.8 4,-1.1 1,-0.3 5,-0.3 0.925 93.3 58.0 -51.2 -39.5 -2.5 43.6 -5.8 45 48 A S H 34 S+ 0 0 12 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.869 110.8 38.8 -58.4 -42.7 -5.3 41.0 -6.2 46 49 A L H X> S+ 0 0 2 -3,-0.6 4,-1.4 1,-0.2 3,-0.8 0.954 113.9 50.2 -75.5 -53.4 -3.8 38.7 -3.5 47 50 A D H 3<>S+ 0 0 9 -4,-2.5 6,-2.0 1,-0.3 5,-0.7 0.567 109.7 51.6 -65.7 -8.3 -2.6 41.3 -0.9 48 51 A V T 3<5S+ 0 0 47 -4,-1.1 -1,-0.3 -5,-0.3 3,-0.2 0.653 109.0 53.9 -92.9 -22.7 -6.0 43.0 -1.0 49 52 A A T <45S+ 0 0 9 -3,-0.8 -2,-0.3 -4,-0.5 191,-0.2 0.737 101.0 58.3 -78.1 -27.3 -7.4 39.5 -0.4 50 53 A L T <5S- 0 0 2 -4,-1.4 -1,-0.2 1,-0.0 -2,-0.2 0.656 106.8-131.7 -78.0 -12.8 -5.1 39.2 2.6 51 54 A G T 5S+ 0 0 36 -3,-0.2 -3,-0.1 -5,-0.2 -2,-0.1 0.541 92.9 61.7 76.8 7.7 -6.8 42.3 4.1 52 55 A I S - 0 0 8 0, 0.0 2,-0.5 0, 0.0 3,-0.5 -0.243 26.3-123.3 -59.2 139.4 2.2 40.1 7.7 57 60 A R T 3 S+ 0 0 81 1,-0.2 123,-0.2 124,-0.1 3,-0.1 -0.750 91.8 25.9 -90.7 123.9 5.7 40.7 9.1 58 61 A G T 3 S+ 0 0 9 -2,-0.5 2,-0.3 1,-0.4 123,-0.2 0.817 100.9 95.5 95.1 39.9 6.6 38.7 12.2 59 62 A R S < S- 0 0 104 -3,-0.5 123,-2.8 116,-0.1 2,-0.6 -0.889 76.2-107.7-147.6 168.4 4.3 35.8 11.7 60 63 A V E -b 182 0B 1 142,-0.3 144,-1.9 -2,-0.3 145,-0.9 -0.932 33.6-161.2-112.9 117.5 4.6 32.3 10.1 61 64 A I E -bc 183 205B 0 121,-4.3 123,-1.2 -2,-0.6 2,-0.5 -0.731 5.1-156.7 -98.2 144.9 3.0 31.9 6.8 62 65 A E E -bc 184 206B 4 143,-2.3 145,-3.6 -2,-0.3 2,-0.6 -0.983 7.0-174.2-123.7 122.4 2.1 28.6 5.2 63 66 A I E +bc 185 207B 0 121,-2.3 123,-1.4 -2,-0.5 2,-0.2 -0.868 15.6 174.1-115.6 94.5 1.7 28.3 1.4 64 67 A Y E + c 0 208B 52 143,-1.9 145,-2.4 -2,-0.6 123,-0.2 -0.520 12.5 120.9 -97.4 171.3 0.4 24.9 0.4 65 68 A G - 0 0 3 121,-0.2 145,-0.1 143,-0.2 123,-0.1 -0.707 58.2 -70.7 151.7 157.6 -0.6 23.6 -2.9 66 69 A P > - 0 0 44 0, 0.0 3,-0.6 0, 0.0 5,-0.3 -0.078 69.1 -80.6 -60.2 166.4 -0.1 21.0 -5.8 67 70 A E T 3 S+ 0 0 126 1,-0.2 144,-0.2 2,-0.1 120,-0.0 -0.272 109.8 24.7 -75.3 164.1 3.0 21.4 -7.8 68 71 A S T 3 S+ 0 0 100 1,-0.1 -1,-0.2 -3,-0.1 142,-0.0 0.781 89.4 111.1 55.7 33.0 3.4 23.9 -10.7 69 72 A S S < S- 0 0 4 -3,-0.6 -2,-0.1 140,-0.1 -1,-0.1 0.488 89.8-104.0-109.5 -11.9 0.7 26.1 -9.2 70 73 A G S > S+ 0 0 9 -4,-0.1 4,-1.9 -5,-0.1 5,-0.2 0.235 72.5 135.8 110.8 -15.1 2.9 29.0 -8.1 71 74 A K H >> S+ 0 0 8 138,-0.3 4,-2.2 -5,-0.3 3,-0.7 0.831 87.0 37.6 -31.2 -60.8 3.4 28.8 -4.3 72 75 A T H 3>>S+ 0 0 47 1,-0.2 4,-3.3 2,-0.2 5,-0.5 0.943 106.3 64.0 -61.8 -49.9 7.1 29.6 -4.7 73 76 A T H 3>5S+ 0 0 12 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.829 110.2 44.8 -43.4 -31.6 6.6 32.1 -7.6 74 77 A V H X S+ 0 0 50 -4,-1.9 3,-2.1 -41,-0.2 4,-0.6 0.986 112.8 46.1 -72.9 -79.2 9.8 43.0 -2.2 82 85 A A H 3<>S+ 0 0 11 -4,-1.3 5,-0.6 -42,-0.3 -1,-0.2 0.542 119.5 49.5 -43.1 -5.3 10.9 42.9 1.4 83 86 A Q H ><5S+ 0 0 20 -4,-1.3 3,-0.9 -5,-0.2 -1,-0.3 0.726 103.7 54.5-102.9 -36.8 14.4 42.8 -0.2 84 87 A A H <<5S+ 0 0 86 -3,-2.1 -2,-0.2 -4,-1.2 -3,-0.1 0.256 106.3 58.4 -81.1 11.7 14.0 45.7 -2.6 85 88 A A T 3<5S- 0 0 83 -4,-0.6 -1,-0.3 2,-0.1 -3,-0.1 -0.237 133.6 -82.7-133.0 39.3 13.0 47.7 0.5 86 89 A G T < 5S+ 0 0 76 -3,-0.9 2,-0.2 1,-0.2 -3,-0.2 0.560 86.7 135.3 71.9 13.2 16.2 47.2 2.4 87 90 A G < - 0 0 9 -5,-0.6 2,-0.6 -6,-0.3 -1,-0.2 -0.558 52.7-125.8 -96.4 160.8 15.5 43.8 3.9 88 91 A I - 0 0 78 48,-0.5 50,-1.8 -2,-0.2 51,-0.9 -0.896 25.3-161.1-106.6 114.7 17.6 40.7 4.2 89 92 A A E -d 139 0B 2 -2,-0.6 25,-2.2 23,-0.5 2,-0.4 -0.809 6.6-168.8-103.2 133.4 16.2 37.4 2.8 90 93 A A E -de 140 114B 1 49,-1.9 51,-2.2 -2,-0.4 2,-0.6 -0.964 4.8-161.0-119.7 131.2 17.3 33.9 3.6 91 94 A F E -de 141 115B 10 23,-3.7 25,-1.8 -2,-0.4 2,-1.1 -0.937 5.2-156.9-116.7 110.4 16.1 30.8 1.7 92 95 A I E -de 142 116B 2 49,-2.8 51,-2.0 -2,-0.6 2,-0.3 -0.729 18.1-160.8 -91.5 92.5 16.5 27.4 3.4 93 96 A D + 0 0 4 23,-1.8 51,-0.1 -2,-1.1 49,-0.0 -0.539 35.2 150.1 -77.9 130.8 16.6 24.9 0.5 94 97 A A S S+ 0 0 22 49,-0.5 -1,-0.1 -2,-0.3 50,-0.1 0.227 76.8 58.9-136.9 -2.6 15.9 21.3 1.1 95 98 A E S S- 0 0 76 48,-0.0 -2,-0.1 0, 0.0 49,-0.1 0.672 86.3-147.3-100.1 -25.8 14.5 20.7 -2.4 96 99 A H + 0 0 125 47,-0.1 21,-0.0 1,-0.1 -3,-0.0 0.979 66.2 108.8 55.2 57.4 17.6 21.7 -4.3 97 100 A A + 0 0 85 2,-0.0 2,-0.4 0, 0.0 -1,-0.1 0.025 32.0 132.8-156.0 38.3 15.4 23.1 -7.2 98 101 A L - 0 0 51 4,-0.0 -5,-0.0 5,-0.0 0, 0.0 -0.799 42.6-148.8 -94.4 129.5 15.6 26.8 -7.2 99 102 A D > - 0 0 95 -2,-0.4 4,-1.7 1,-0.2 3,-0.3 -0.875 4.7-161.6-100.1 125.6 16.2 28.5 -10.5 100 103 A P H > S+ 0 0 73 0, 0.0 4,-3.7 0, 0.0 5,-0.3 0.995 86.1 50.1 -68.6 -61.2 18.2 31.7 -10.2 101 104 A E H > S+ 0 0 151 1,-0.3 4,-0.6 2,-0.3 -2,-0.0 0.547 109.8 54.9 -57.4 -6.3 17.4 33.5 -13.5 102 105 A Y H >4 S+ 0 0 48 -3,-0.3 3,-0.7 2,-0.2 4,-0.5 0.883 113.2 40.8 -84.9 -54.9 13.8 32.8 -12.9 103 106 A A H >X>S+ 0 0 1 -4,-1.7 3,-2.7 1,-0.3 5,-1.3 0.925 109.4 60.1 -53.8 -48.3 14.2 34.6 -9.5 104 107 A K H ><5S+ 0 0 54 -4,-3.7 3,-0.8 1,-0.3 -1,-0.3 0.860 104.7 50.8 -50.1 -38.4 16.4 37.2 -11.2 105 108 A K T <<5S+ 0 0 144 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.526 104.9 57.1 -78.7 -6.4 13.5 38.1 -13.4 106 109 A L T <45S- 0 0 16 -3,-2.7 -1,-0.2 -4,-0.5 -2,-0.2 0.442 123.7 -95.2-102.7 -0.9 11.1 38.5 -10.5 107 110 A G T <<5S+ 0 0 48 -3,-0.8 -3,-0.2 -4,-0.7 -2,-0.1 0.272 76.1 140.5 109.0 -11.6 13.1 41.1 -8.7 108 111 A V < - 0 0 8 -5,-1.3 2,-0.9 -8,-0.1 -1,-0.3 -0.397 49.9-139.3 -68.7 141.9 15.1 39.0 -6.3 109 112 A D > - 0 0 84 1,-0.2 3,-3.0 3,-0.1 -1,-0.1 -0.505 23.4-176.0 -99.8 62.4 18.7 40.0 -5.7 110 113 A T G > S+ 0 0 46 -2,-0.9 3,-2.2 1,-0.3 -1,-0.2 0.737 76.0 60.4 -23.5 -56.0 20.1 36.5 -5.7 111 114 A D G 3 S+ 0 0 149 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.850 109.2 42.3 -51.0 -39.6 23.7 37.6 -4.9 112 115 A S G < S+ 0 0 66 -3,-3.0 -23,-0.5 2,-0.1 2,-0.5 -0.148 96.2 108.0-100.3 41.6 22.5 39.2 -1.7 113 116 A L < - 0 0 22 -3,-2.2 2,-0.7 -25,-0.1 -23,-0.2 -0.972 68.0-133.5-118.2 129.9 20.3 36.2 -0.9 114 117 A L E -e 90 0B 84 -25,-2.2 -23,-3.7 -2,-0.5 2,-0.5 -0.753 26.8-176.1 -85.8 114.0 21.3 33.7 1.8 115 118 A V E +e 91 0B 72 -2,-0.7 2,-0.4 -25,-0.2 -23,-0.2 -0.937 4.3 177.9-113.0 131.7 20.9 30.1 0.5 116 119 A S E -e 92 0B 38 -25,-1.8 -23,-1.8 -2,-0.5 -2,-0.0 -0.949 18.6-157.8-129.1 148.0 21.5 27.2 2.8 117 120 A Q - 0 0 111 -2,-0.4 -23,-0.1 -25,-0.2 -25,-0.1 -0.656 21.4-160.2-130.8 78.0 21.2 23.5 1.9 118 121 A P - 0 0 12 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.115 14.0-147.7 -47.4 162.5 20.6 21.7 5.2 119 122 A D S S+ 0 0 135 1,-0.1 2,-0.2 29,-0.0 30,-0.1 0.776 80.4 30.6-105.3 -48.2 21.3 18.0 5.6 120 123 A T S > S- 0 0 30 1,-0.1 4,-1.3 28,-0.1 29,-0.1 -0.521 75.5-125.7-103.9 175.1 18.6 17.0 8.1 121 124 A G H > S+ 0 0 0 28,-2.0 4,-1.2 2,-0.2 28,-0.1 0.633 114.3 57.1 -91.7 -16.8 15.2 18.6 8.8 122 125 A E H 4 S+ 0 0 82 27,-0.4 4,-0.4 2,-0.2 -1,-0.1 0.761 109.8 44.3 -80.7 -28.7 16.3 19.0 12.4 123 126 A Q H >> S+ 0 0 72 2,-0.2 4,-2.5 1,-0.1 3,-0.7 0.866 107.8 57.2 -81.5 -44.7 19.3 21.0 11.2 124 127 A A H 3X S+ 0 0 1 -4,-1.3 4,-1.1 1,-0.3 -2,-0.2 0.892 106.1 51.1 -54.9 -41.5 17.4 23.1 8.7 125 128 A L H 3X S+ 0 0 3 -4,-1.2 4,-0.9 2,-0.2 -1,-0.3 0.728 111.7 49.8 -69.6 -23.8 15.0 24.3 11.5 126 129 A E H <>>S+ 0 0 82 -3,-0.7 4,-4.0 -4,-0.4 5,-0.6 0.958 109.1 44.8 -78.6 -58.3 18.0 25.3 13.6 127 130 A I H X5S+ 0 0 40 -4,-2.5 4,-0.8 1,-0.3 -2,-0.2 0.807 119.0 48.4 -59.2 -23.2 20.1 27.3 11.2 128 131 A A H X5S+ 0 0 0 -4,-1.1 4,-1.4 -5,-0.4 -1,-0.3 0.839 114.0 46.5 -80.7 -34.3 16.7 28.8 10.4 129 132 A D H <5S+ 0 0 9 -4,-0.9 4,-0.5 2,-0.2 -2,-0.2 0.912 118.0 38.6 -75.5 -43.2 16.0 29.3 14.1 130 133 A M H <5S+ 0 0 121 -4,-4.0 4,-0.5 1,-0.2 -1,-0.2 0.757 116.2 54.5 -78.4 -22.0 19.4 30.8 15.0 131 134 A L H >< - 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