==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-APR-13 4K2K . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.A.CARO,J.L.SCHLESSMAN,A.HEROUX,B.GARCIA-MORENO E. . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7303.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 24.0 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 . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 2.3 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 . 8 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 1 0 0 0 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 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 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 7 A L 0 0 81 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 161.7 2.3 -0.2 -8.3 2 8 A H - 0 0 113 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.987 360.0-127.2-132.5 141.8 3.2 -3.8 -7.2 3 9 A K E -A 63 0A 85 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.597 27.9-167.1 -80.4 130.6 4.3 -5.3 -3.9 4 10 A E E -A 62 0A 21 58,-2.7 58,-2.6 -2,-0.3 2,-0.1 -0.925 25.8 -95.8-118.5 152.7 7.4 -7.5 -4.1 5 11 A P E +A 61 0A 103 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.364 43.3 165.1 -66.6 146.0 8.9 -9.9 -1.6 6 12 A A E -A 60 0A 9 54,-1.4 54,-0.8 15,-0.1 2,-0.5 -0.988 26.1-140.4-152.5 153.5 11.5 -9.0 0.9 7 13 A T E -D 20 0B 99 13,-2.0 13,-3.3 -2,-0.3 52,-0.1 -0.961 29.5-113.5-119.3 126.3 12.8 -10.6 4.1 8 14 A L E +D 19 0B 50 -2,-0.5 11,-0.3 11,-0.2 3,-0.1 -0.318 36.2 169.0 -59.7 128.0 13.7 -8.5 7.1 9 15 A I E - 0 0 69 9,-2.8 2,-0.3 1,-0.3 10,-0.2 0.751 68.7 -25.0 -99.4 -53.0 17.5 -8.4 7.9 10 16 A K E -D 18 0B 116 8,-1.9 8,-3.5 44,-0.0 2,-0.3 -0.931 52.6-124.6-158.3 140.7 17.5 -5.6 10.5 11 17 A A E -D 17 0B 16 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.649 30.2-178.9 -75.0 137.3 15.4 -2.5 11.4 12 18 A I - 0 0 82 4,-1.8 2,-0.2 1,-0.4 5,-0.2 0.804 51.4 -36.9-109.7 -59.8 17.8 0.4 11.4 13 19 A D S S- 0 0 23 3,-1.8 3,-0.5 33,-0.1 -1,-0.4 -0.725 81.1 -60.1-150.4-162.2 15.9 3.6 12.4 14 20 A G S S+ 0 0 0 22,-0.4 77,-0.1 1,-0.2 23,-0.1 0.835 132.0 19.7 -58.1 -31.6 12.4 5.2 11.9 15 21 A D S S+ 0 0 8 21,-0.1 15,-2.8 20,-0.1 2,-0.4 0.311 114.5 68.1-127.1 13.9 12.6 5.3 8.1 16 22 A T E + E 0 29B 10 -3,-0.5 -4,-1.8 13,-0.2 -3,-1.8 -0.993 48.6 172.2-135.7 137.8 15.3 2.8 7.1 17 23 A V E -DE 11 28B 13 11,-2.0 11,-3.5 -2,-0.4 2,-0.5 -0.993 27.6-131.6-140.0 145.0 15.4 -1.0 7.2 18 24 A K E +DE 10 27B 74 -8,-3.5 -9,-2.8 -2,-0.3 -8,-1.9 -0.864 38.9 163.8 -95.0 131.0 17.8 -3.5 5.9 19 25 A A E -DE 8 26B 1 7,-3.0 7,-2.0 -2,-0.5 2,-0.6 -0.991 42.3-107.3-147.9 152.5 16.1 -6.3 4.0 20 26 A M E +DE 7 25B 72 -13,-3.3 -13,-2.0 -2,-0.3 2,-0.4 -0.749 39.6 179.8 -84.3 120.2 16.8 -9.1 1.6 21 27 A Y E > - E 0 24B 23 3,-2.9 3,-1.8 -2,-0.6 -15,-0.1 -0.984 68.9 -12.7-128.6 126.4 15.5 -8.3 -1.8 22 28 A K T 3 S- 0 0 156 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.892 131.2 -56.4 46.6 35.4 15.8 -10.5 -4.9 23 29 A G T 3 S+ 0 0 49 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.515 119.8 97.6 77.7 13.4 18.3 -12.4 -2.7 24 30 A Q E < S-E 21 0B 133 -3,-1.8 -3,-2.9 -5,-0.1 -1,-0.2 -0.969 79.0-105.2-130.1 145.8 20.7 -9.5 -1.9 25 31 A P E +E 20 0B 71 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.429 43.3 176.7 -67.8 139.4 20.8 -7.3 1.1 26 32 A M E -E 19 0B 45 -7,-2.0 -7,-3.0 -2,-0.1 2,-0.6 -0.994 29.0-135.0-142.0 138.6 19.5 -3.8 0.5 27 33 A T E -E 18 0B 45 -2,-0.3 49,-2.8 47,-0.3 2,-0.4 -0.888 28.0-154.6 -93.3 124.1 19.0 -0.8 2.8 28 34 A F E -Ef 17 76B 7 -11,-3.5 -11,-2.0 -2,-0.6 2,-0.5 -0.852 8.5-158.8-104.0 136.8 15.6 0.6 2.1 29 35 A R E -Ef 16 77B 21 47,-3.1 49,-1.6 -2,-0.4 2,-0.4 -0.958 30.6-114.5-111.6 124.6 14.6 4.2 2.8 30 36 A A E > - f 0 78B 12 -15,-2.8 3,-1.0 -2,-0.5 49,-0.2 -0.467 31.8-119.7 -65.8 125.3 10.9 4.8 3.1 31 37 A L T 3 S+ 0 0 10 47,-2.3 49,-0.1 -2,-0.4 -1,-0.1 -0.185 85.1 7.4 -59.4 142.0 9.4 7.0 0.4 32 38 A L T 3 S+ 0 0 2 69,-0.5 68,-1.8 74,-0.1 2,-0.3 0.480 108.3 90.2 71.0 11.1 7.7 10.3 1.1 33 39 A V E < -H 99 0C 0 -3,-1.0 2,-0.3 66,-0.3 66,-0.2 -0.859 50.5-160.2-133.3 163.1 8.6 10.5 4.9 34 40 A D E -H 98 0C 54 64,-1.5 64,-2.2 -2,-0.3 3,-0.1 -0.904 10.2-168.2-144.7 111.0 11.2 11.8 7.3 35 41 A T - 0 0 2 -2,-0.3 62,-0.2 62,-0.2 8,-0.1 -0.676 37.2 -95.1 -83.4 158.0 11.5 10.5 10.8 36 42 A P - 0 0 15 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.345 46.8 -99.7 -65.2 153.6 13.7 12.3 13.3 37 43 A E > - 0 0 86 1,-0.1 3,-2.8 -24,-0.1 6,-0.3 -0.367 36.8-104.9 -69.8 155.4 17.2 11.1 13.6 38 50 A F T 3 S+ 0 0 133 1,-0.3 -1,-0.1 5,-0.2 5,-0.1 0.818 122.8 56.0 -53.3 -28.5 17.8 8.8 16.6 39 51 A N T 3 S+ 0 0 137 4,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.433 99.7 76.4 -80.8 -1.6 19.5 11.7 18.3 40 52 A E S X S- 0 0 95 -3,-2.8 3,-2.2 1,-0.1 2,-0.1 -0.643 99.3 -74.1-110.6 161.4 16.5 14.0 17.9 41 53 A K T 3 S+ 0 0 159 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.398 121.6 11.4 -60.1 134.9 13.2 14.2 19.8 42 54 A Y T 3> S+ 0 0 38 -2,-0.1 4,-2.6 -4,-0.1 -1,-0.3 0.304 98.4 111.8 70.2 -1.2 10.8 11.4 18.8 43 55 A G H <> S+ 0 0 0 -3,-2.2 4,-2.9 -6,-0.3 -5,-0.2 0.969 78.4 43.7 -58.4 -56.4 13.8 9.7 17.0 44 56 A P H > S+ 0 0 50 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.923 115.3 50.5 -57.1 -37.1 14.0 6.8 19.5 45 57 A E H > S+ 0 0 99 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.901 111.1 47.5 -66.6 -45.1 10.2 6.5 19.4 46 58 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.3 0.937 112.0 51.1 -59.9 -47.0 10.1 6.4 15.5 47 59 A S H X S+ 0 0 16 -4,-2.9 4,-2.2 -5,-0.2 -2,-0.2 0.933 112.6 45.3 -57.7 -44.1 12.9 3.9 15.5 48 60 A A H X S+ 0 0 58 -4,-2.7 4,-2.5 -5,-0.2 5,-0.2 0.855 110.5 54.5 -70.7 -33.7 11.0 1.6 18.0 49 61 A F H X S+ 0 0 58 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.963 112.8 40.5 -60.0 -54.0 7.8 2.0 16.1 50 62 A T H X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.929 114.2 54.9 -67.0 -36.2 9.2 0.9 12.8 51 63 A K H X S+ 0 0 98 -4,-2.2 4,-2.4 -5,-0.3 5,-0.3 0.940 110.4 45.1 -61.1 -49.3 11.2 -1.9 14.5 52 64 A K H X S+ 0 0 141 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.931 113.2 52.5 -57.8 -48.1 8.1 -3.4 16.2 53 65 A M H X S+ 0 0 29 -4,-2.3 4,-0.5 -5,-0.2 -2,-0.2 0.908 116.5 34.1 -57.7 -50.3 6.2 -3.2 13.0 54 66 A V H < S+ 0 0 7 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.825 119.0 50.8 -79.4 -31.0 8.6 -5.0 10.7 55 67 A E H < S+ 0 0 94 -4,-2.4 -2,-0.2 -5,-0.3 -3,-0.2 0.854 111.5 48.2 -75.2 -35.6 9.9 -7.5 13.3 56 68 A N H < S+ 0 0 114 -4,-2.3 2,-0.2 -5,-0.3 -1,-0.2 0.646 91.5 102.8 -77.6 -9.3 6.4 -8.5 14.4 57 69 A A < - 0 0 19 -4,-0.5 3,-0.1 -5,-0.2 -4,-0.0 -0.528 67.7-142.4 -77.9 141.1 5.2 -9.1 10.8 58 70 A K S S+ 0 0 199 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.859 90.1 5.3 -62.4 -39.2 4.8 -12.5 9.3 59 71 A K - 0 0 113 -52,-0.1 24,-2.8 2,-0.0 2,-0.3 -0.999 64.4-151.6-141.6 153.8 6.0 -11.0 6.0 60 72 A I E -AB 6 82A 16 -54,-0.8 -54,-1.4 -2,-0.3 2,-0.3 -0.857 14.2-167.8-110.2 155.2 7.3 -7.7 4.7 61 73 A E E -AB 5 81A 31 20,-2.1 20,-3.1 -2,-0.3 2,-0.4 -0.963 9.8-147.1-138.0 149.2 6.9 -6.4 1.1 62 74 A V E -AB 4 80A 3 -58,-2.6 -58,-2.7 -2,-0.3 2,-0.5 -0.956 8.6-166.8-116.7 140.9 8.5 -3.5 -0.8 63 75 A E E -AB 3 79A 8 16,-2.3 16,-2.9 -2,-0.4 -60,-0.2 -0.974 9.8-151.8-130.6 115.0 6.7 -1.5 -3.5 64 76 A F - 0 0 9 -62,-0.5 -62,-0.4 -2,-0.5 14,-0.2 -0.486 13.4-131.9 -80.4 154.5 8.7 0.8 -5.7 65 77 A D - 0 0 5 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.149 33.7 -89.7 -87.9-165.4 7.2 3.8 -7.3 66 78 A K S S+ 0 0 168 39,-0.1 40,-0.2 -2,-0.1 3,-0.1 0.615 104.8 42.0 -85.1 -15.1 7.4 4.9 -10.9 67 79 A G S S+ 0 0 29 1,-0.3 39,-0.1 36,-0.1 38,-0.1 0.231 107.8 5.7-107.4-133.7 10.6 7.0 -10.7 68 80 A Q - 0 0 140 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.262 47.7-173.9 -60.4 130.5 14.0 6.5 -9.0 69 81 A R S S+ 0 0 107 1,-0.2 8,-2.5 -3,-0.1 2,-0.4 0.609 73.6 35.6 -93.7 -20.0 14.4 3.1 -7.3 70 82 A T B S-G 76 0B 64 6,-0.3 6,-0.2 -42,-0.1 -1,-0.2 -0.988 75.9-140.4-130.9 141.9 17.7 3.9 -5.6 71 83 A D > - 0 0 34 4,-2.3 3,-2.1 -2,-0.4 -2,-0.0 -0.360 42.4 -85.2 -91.8-172.9 18.9 7.1 -4.2 72 84 A K T 3 S+ 0 0 180 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.570 127.8 56.2 -71.0 -10.0 22.4 8.6 -4.4 73 85 A Y T 3 S- 0 0 164 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.300 119.8-106.0 -95.8 -2.4 23.6 6.5 -1.4 74 86 A G S < S+ 0 0 48 -3,-2.1 -47,-0.3 1,-0.3 2,-0.3 0.547 73.6 142.6 88.2 6.7 22.5 3.2 -2.9 75 87 A R - 0 0 67 -49,-0.1 -4,-2.3 1,-0.1 -1,-0.3 -0.595 55.3-115.4 -82.0 142.8 19.4 2.9 -0.7 76 88 A G E -fG 28 70B 0 -49,-2.8 -47,-3.1 -2,-0.3 2,-0.6 -0.553 22.3-143.0 -75.4 139.5 16.2 1.4 -2.2 77 89 A L E +f 29 0B 27 -8,-2.5 -12,-0.5 -49,-0.2 2,-0.3 -0.942 44.2 133.9-108.5 112.4 13.4 3.9 -2.3 78 90 A A E -f 30 0B 3 -49,-1.6 -47,-2.3 -2,-0.6 2,-0.5 -0.973 60.8-107.9-150.1 164.0 10.1 2.1 -1.5 79 91 A Y E -B 63 0A 0 -16,-2.9 -16,-2.3 -2,-0.3 2,-0.4 -0.901 42.2-149.3 -91.4 130.2 6.9 1.9 0.3 80 92 A A E -B 62 0A 18 -2,-0.5 7,-3.1 -18,-0.2 8,-0.6 -0.877 9.8-161.9-106.1 139.5 7.3 -0.9 2.9 81 93 A Y E -BC 61 86A 16 -20,-3.1 -20,-2.1 -2,-0.4 2,-0.6 -0.948 9.8-158.6-124.4 137.0 4.4 -3.1 4.1 82 94 A A E > S-BC 60 85A 9 3,-2.9 3,-2.0 -2,-0.4 -22,-0.2 -0.970 86.7 -24.8-114.8 109.7 4.1 -5.2 7.2 83 95 A D T 3 S- 0 0 83 -24,-2.8 -1,-0.2 -2,-0.6 -23,-0.1 0.906 130.0 -47.3 44.7 51.4 1.5 -7.9 6.7 84 96 A G T 3 S+ 0 0 47 1,-0.2 2,-0.6 -25,-0.2 -1,-0.3 0.256 116.0 115.8 84.2 -10.7 -0.3 -5.6 4.1 85 97 A K E < -C 82 0A 114 -3,-2.0 -3,-2.9 1,-0.0 2,-0.3 -0.825 68.9-123.1 -95.0 125.3 -0.1 -2.5 6.3 86 98 A M E > -C 81 0A 8 -2,-0.6 4,-2.2 -5,-0.2 -5,-0.3 -0.367 14.3-160.1 -69.8 124.2 2.1 0.4 5.0 87 99 A V H > S+ 0 0 6 -7,-3.1 4,-2.6 -2,-0.3 5,-0.2 0.891 91.5 56.5 -64.8 -43.7 4.9 1.4 7.4 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.953 111.0 43.2 -56.8 -52.1 5.3 4.8 5.7 89 101 A E H > S+ 0 0 59 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.913 112.8 53.0 -57.5 -48.6 1.6 5.7 6.2 90 102 A A H X S+ 0 0 4 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.900 106.6 51.3 -59.5 -42.2 1.6 4.4 9.8 91 103 A L H <>S+ 0 0 0 -4,-2.6 5,-2.4 2,-0.2 6,-0.7 0.929 113.0 45.8 -58.3 -47.0 4.5 6.4 10.9 92 104 A V H ><5S+ 0 0 0 -4,-1.7 3,-1.9 4,-0.2 -2,-0.2 0.923 110.0 54.0 -65.5 -43.9 2.9 9.6 9.5 93 105 A R H 3<5S+ 0 0 65 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.844 109.0 50.2 -59.3 -31.7 -0.6 8.8 11.1 94 106 A Q T 3<5S- 0 0 75 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.423 114.4-116.2 -87.2 2.9 1.2 8.4 14.5 95 107 A G T < 5S+ 0 0 0 -3,-1.9 32,-2.6 2,-0.2 -3,-0.2 0.803 86.0 116.3 66.1 32.0 3.0 11.8 14.2 96 108 A L S - 0 0 155 -2,-1.1 3,-2.2 3,-0.5 -36,-0.1 -0.833 31.2-107.6 -98.7 128.0 9.5 14.3 -5.7 104 116 A K T 3 S+ 0 0 207 -2,-0.5 -1,-0.1 1,-0.2 0, 0.0 -0.257 108.0 25.3 -40.0 126.5 7.5 14.6 -9.0 105 117 A G T 3 S+ 0 0 41 -38,-0.1 -1,-0.2 -3,-0.0 -39,-0.1 0.415 119.2 60.0 93.9 -3.2 7.4 11.2 -10.6 106 118 A N S < S+ 0 0 13 -3,-2.2 -3,-0.5 -40,-0.2 -74,-0.1 -0.302 77.5 93.1-144.4 47.3 7.9 9.3 -7.4 107 119 A N > + 0 0 54 -5,-0.1 3,-2.0 1,-0.1 4,-0.3 0.051 31.1 138.2-139.1 35.5 4.9 10.4 -5.4 108 120 A T T 3 S+ 0 0 74 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.859 81.5 38.4 -50.3 -46.2 2.1 7.9 -5.9 109 121 A H T 3> S+ 0 0 36 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.132 80.1 114.2 -94.9 18.4 1.0 7.8 -2.2 110 122 A E H <> S+ 0 0 51 -3,-2.0 4,-2.9 2,-0.2 5,-0.2 0.943 78.5 45.0 -56.4 -49.2 1.4 11.5 -1.5 111 123 A Q H > S+ 0 0 131 -3,-0.4 4,-2.6 -4,-0.3 5,-0.2 0.944 110.7 53.6 -68.1 -39.6 -2.3 12.2 -0.9 112 124 A L H > S+ 0 0 74 -4,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.931 114.2 43.0 -50.6 -48.6 -2.8 9.1 1.2 113 125 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.912 109.9 54.7 -74.2 -34.8 0.1 10.2 3.4 114 126 A R H X S+ 0 0 96 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.909 107.3 53.2 -63.5 -36.9 -0.9 14.0 3.6 115 127 A K H X S+ 0 0 120 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.946 108.9 48.4 -61.4 -43.0 -4.3 12.8 4.8 116 128 A A H X S+ 0 0 2 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.872 110.5 51.4 -59.4 -42.6 -2.7 10.8 7.6 117 129 A E H X S+ 0 0 21 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.926 106.1 53.7 -66.5 -38.0 -0.5 13.8 8.5 118 130 A A H X S+ 0 0 50 -4,-2.7 4,-3.2 1,-0.2 -2,-0.2 0.932 110.3 48.7 -60.0 -41.6 -3.5 16.1 8.7 119 131 A Q H X S+ 0 0 56 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.919 111.6 47.8 -62.8 -46.1 -5.2 13.5 11.2 120 132 A A H <>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 -1,-0.2 0.871 113.4 47.7 -62.0 -40.1 -2.0 13.3 13.3 121 133 A K H ><5S+ 0 0 86 -4,-2.4 3,-1.6 3,-0.2 -2,-0.2 0.946 110.4 52.3 -66.8 -44.6 -1.7 17.1 13.4 122 134 A K H 3<5S+ 0 0 159 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.867 113.8 44.7 -55.2 -38.8 -5.5 17.4 14.3 123 135 A E T 3<5S- 0 0 91 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.382 108.1-129.1 -88.8 -1.6 -4.9 14.9 17.1 124 136 A K T < 5 + 0 0 140 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.818 43.1 177.4 60.8 38.6 -1.7 16.7 18.2 125 137 A L > < - 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