==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-JUL-11 3SR1 . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR B.M.DOCTROW,J.L.SCHLESSMAN,B.GARCIA-MORENO E.,A.HEROUX . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7415.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 84 65.1 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 . 30 23.3 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 . 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 . 5 3.9 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 1 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 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 79 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 161.9 2.5 -0.6 -8.2 2 8 A H - 0 0 155 62,-0.4 62,-0.5 63,-0.1 2,-0.4 -0.959 360.0-132.8-130.8 132.0 3.4 -4.1 -7.0 3 9 A K - 0 0 94 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.719 27.2-169.1 -81.8 138.8 4.3 -5.5 -3.6 4 10 A E E -A 62 0A 49 58,-2.7 58,-2.6 -2,-0.4 -2,-0.0 -0.910 25.3 -95.6-125.3 152.5 7.4 -7.8 -3.6 5 11 A P E +A 61 0A 109 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.263 45.6 156.8 -70.3 150.4 8.8 -10.1 -0.9 6 12 A A E -A 60 0A 14 54,-1.5 54,-0.6 15,-0.1 2,-0.4 -0.958 27.5-138.2-157.3 162.0 11.6 -9.1 1.5 7 13 A T E -D 20 0B 86 13,-1.7 13,-2.9 -2,-0.3 2,-0.3 -0.969 29.6-104.6-123.5 147.5 12.8 -10.2 5.0 8 14 A L E +D 19 0B 52 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.541 35.4 170.2 -64.5 131.6 14.0 -8.0 7.8 9 15 A I E - 0 0 71 9,-2.9 2,-0.3 -2,-0.3 10,-0.2 0.766 68.4 -24.2 -98.3 -55.6 17.8 -8.0 8.4 10 16 A K E -D 18 0B 122 8,-1.9 8,-2.9 0, 0.0 -1,-0.3 -0.962 54.6-121.2-159.0 135.2 18.0 -5.1 10.9 11 17 A A E +D 17 0B 21 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.450 32.1 174.4 -65.2 145.3 16.0 -2.1 12.0 12 18 A I - 0 0 79 4,-1.1 2,-0.2 1,-0.5 5,-0.2 0.584 50.1 -41.1-119.7 -68.1 18.2 1.1 11.6 13 19 A D S S- 0 0 22 3,-1.9 -1,-0.5 33,-0.1 3,-0.4 -0.718 76.0 -61.6-149.1-162.2 16.2 4.2 12.4 14 20 A G S S+ 0 0 0 22,-0.3 77,-0.1 1,-0.2 23,-0.1 0.848 130.5 18.5 -61.6 -32.3 12.8 5.9 11.8 15 21 A D S S+ 0 0 4 21,-0.1 15,-2.6 20,-0.1 2,-0.4 0.288 115.6 66.9-128.8 14.6 13.1 6.0 8.0 16 22 A T E + E 0 29B 12 -3,-0.4 -3,-1.9 13,-0.2 -4,-1.1 -0.995 51.2 171.1-134.5 144.7 15.8 3.4 7.0 17 23 A V E -DE 11 28B 2 11,-2.0 11,-3.3 -2,-0.4 2,-0.6 -0.994 30.6-126.1-148.7 143.6 15.7 -0.3 7.4 18 24 A K E +DE 10 27B 68 -8,-2.9 -9,-2.9 -2,-0.3 -8,-1.9 -0.846 39.2 171.0 -95.9 122.2 18.0 -3.2 6.2 19 25 A L E -DE 8 26B 0 7,-2.7 7,-2.4 -2,-0.6 2,-0.6 -0.910 37.9-121.4-126.0 157.4 16.1 -5.8 4.3 20 26 A M E +DE 7 25B 69 -13,-2.9 -13,-1.7 -2,-0.3 2,-0.4 -0.895 37.5 177.6 -95.0 119.6 16.9 -8.9 2.2 21 27 A Y E > - E 0 24B 15 3,-2.6 3,-2.1 -2,-0.6 -15,-0.1 -0.988 68.7 -7.5-130.6 126.7 15.4 -8.3 -1.2 22 28 A K T 3 S- 0 0 150 -17,-0.5 -1,-0.1 -2,-0.4 -16,-0.1 0.800 131.6 -58.2 47.2 39.8 15.8 -10.8 -4.1 23 29 A G T 3 S+ 0 0 53 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.1 0.530 117.7 107.1 78.8 6.5 18.2 -12.6 -1.7 24 30 A Q E < S-E 21 0B 126 -3,-2.1 -3,-2.6 -5,-0.0 2,-0.3 -0.940 71.8-115.5-119.3 144.1 20.6 -9.5 -1.3 25 31 A P E +E 20 0B 71 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.526 43.1 166.5 -74.6 136.4 21.1 -7.3 1.7 26 32 A M E -E 19 0B 43 -7,-2.4 -7,-2.7 -2,-0.3 2,-0.6 -0.994 36.6-127.9-146.8 146.6 20.1 -3.7 1.1 27 33 A T E -E 18 0B 46 -2,-0.3 49,-2.5 47,-0.3 2,-0.4 -0.803 30.5-154.8 -89.0 128.3 19.4 -0.6 3.1 28 34 A F E -Ef 17 76B 0 -11,-3.3 -11,-2.0 -2,-0.6 2,-0.5 -0.863 7.5-156.2-103.9 133.4 16.0 0.9 2.2 29 35 A R E -Ef 16 77B 21 47,-3.5 49,-1.4 -2,-0.4 2,-0.2 -0.949 29.5-116.5-102.3 130.8 15.1 4.6 2.7 30 36 A L E > - f 0 78B 4 -15,-2.6 3,-0.9 -2,-0.5 49,-0.2 -0.451 30.7-119.2 -72.7 127.8 11.3 5.1 3.0 31 37 A L T 3 S+ 0 0 12 47,-2.2 49,-0.1 -2,-0.2 -1,-0.1 -0.370 84.2 7.4 -62.6 144.9 9.8 7.2 0.2 32 38 A L T 3 S+ 0 0 2 69,-0.5 68,-1.7 1,-0.2 2,-0.3 0.486 107.3 92.9 71.2 11.2 8.0 10.5 0.8 33 39 A V E < -H 99 0C 0 -3,-0.9 2,-0.3 66,-0.3 66,-0.2 -0.905 50.5-160.9-132.4 163.4 8.9 10.8 4.5 34 40 A D E -H 98 0C 55 64,-1.9 64,-2.1 -2,-0.3 3,-0.0 -0.929 11.4-170.0-140.9 115.1 11.4 12.4 6.8 35 41 A T - 0 0 1 -2,-0.3 62,-0.2 62,-0.2 -20,-0.1 -0.735 36.4 -95.4 -91.0 157.8 11.8 11.2 10.4 36 42 A P - 0 0 16 0, 0.0 -22,-0.3 0, 0.0 -21,-0.1 -0.320 47.1-101.1 -62.4 148.7 14.0 13.1 13.0 37 43 A E > - 0 0 89 1,-0.1 3,-2.7 -24,-0.1 6,-0.3 -0.339 36.3-104.4 -68.1 154.5 17.5 11.8 13.3 38 50 A F T 3 S+ 0 0 134 1,-0.3 5,-0.1 5,-0.2 -1,-0.1 0.838 123.1 53.8 -52.5 -39.1 18.0 9.6 16.4 39 51 A N T 3 S+ 0 0 140 4,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.440 101.7 78.6 -76.1 2.3 19.9 12.5 18.1 40 52 A E S X S- 0 0 99 -3,-2.7 3,-2.1 1,-0.1 2,-0.0 -0.631 98.6 -72.1-106.9 169.4 16.9 14.9 17.5 41 53 A K T 3 S+ 0 0 155 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.369 121.5 7.7 -62.3 138.5 13.5 15.3 19.2 42 54 A Y T 3> S+ 0 0 42 -4,-0.1 4,-2.8 -7,-0.1 -1,-0.3 0.340 99.1 113.3 64.9 -1.2 11.1 12.4 18.4 43 55 A G H <> S+ 0 0 0 -3,-2.1 4,-2.6 -6,-0.3 -5,-0.2 0.939 77.1 44.2 -62.5 -50.2 14.0 10.6 16.7 44 56 A P H > S+ 0 0 50 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.902 114.9 50.5 -62.7 -36.2 14.2 7.8 19.3 45 57 A E H > S+ 0 0 100 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.917 111.0 47.7 -69.4 -40.6 10.4 7.5 19.2 46 58 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.942 112.4 50.2 -64.6 -42.4 10.4 7.3 15.4 47 59 A S H X S+ 0 0 16 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.908 112.1 47.3 -59.2 -45.9 13.2 4.7 15.4 48 60 A A H X S+ 0 0 57 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.878 110.1 52.7 -64.0 -38.0 11.3 2.6 18.0 49 61 A F H X S+ 0 0 59 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.962 112.8 42.9 -66.8 -46.0 8.0 2.9 16.1 50 62 A T H X S+ 0 0 4 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.929 113.3 53.5 -64.5 -39.2 9.6 1.6 12.8 51 63 A K H X S+ 0 0 95 -4,-2.4 4,-2.6 -5,-0.3 5,-0.3 0.920 111.2 45.4 -63.7 -47.5 11.6 -1.1 14.6 52 64 A K H X S+ 0 0 137 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.916 112.3 51.5 -62.4 -43.6 8.5 -2.5 16.3 53 65 A M H X S+ 0 0 27 -4,-2.3 4,-0.7 -5,-0.2 -2,-0.2 0.924 117.1 37.4 -59.9 -44.9 6.5 -2.4 13.1 54 66 A V H < S+ 0 0 3 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.826 117.0 50.0 -79.9 -30.5 9.1 -4.3 11.1 55 67 A E H < S+ 0 0 94 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.807 114.4 45.2 -75.0 -31.6 10.2 -6.8 13.8 56 68 A N H < S+ 0 0 107 -4,-2.1 2,-0.3 -5,-0.3 -1,-0.2 0.582 90.8 102.8 -87.3 -15.2 6.6 -7.7 14.6 57 69 A G < - 0 0 14 -4,-0.7 3,-0.2 -5,-0.2 -4,-0.0 -0.552 53.4-164.0 -71.2 131.0 5.5 -8.1 11.0 58 70 A K S S+ 0 0 196 -2,-0.3 2,-0.5 1,-0.3 -1,-0.2 0.805 84.5 37.8 -79.9 -28.7 5.3 -11.7 9.8 59 71 A K S S- 0 0 127 -52,-0.0 24,-2.8 2,-0.0 25,-0.5 -0.955 71.4-171.9-128.5 108.4 5.3 -10.6 6.1 60 72 A I E -AB 6 82A 11 -54,-0.6 -54,-1.5 -2,-0.5 2,-0.3 -0.845 10.8-173.1 -96.8 138.7 7.5 -7.6 5.1 61 73 A E E -AB 5 81A 28 20,-2.1 20,-2.8 -2,-0.4 2,-0.4 -0.980 17.3-145.6-134.0 150.9 7.0 -6.3 1.5 62 74 A V E -AB 4 80A 0 -58,-2.6 -58,-2.7 -2,-0.3 2,-0.5 -0.913 11.7-171.3-108.4 132.0 8.8 -3.8 -0.7 63 75 A E E - B 0 79A 7 16,-2.4 16,-2.9 -2,-0.4 -60,-0.2 -0.917 9.1-157.0-128.0 114.2 6.9 -1.7 -3.2 64 76 A F - 0 0 12 -62,-0.5 -62,-0.4 -2,-0.5 14,-0.2 -0.432 13.0-133.5 -78.1 152.0 8.9 0.4 -5.6 65 77 A D - 0 0 5 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.160 36.0 -87.8 -88.1-164.6 7.4 3.5 -7.3 66 78 A K S S+ 0 0 174 39,-0.2 40,-0.2 -2,-0.1 3,-0.1 0.535 104.4 46.9 -83.3 -15.1 7.6 4.3 -11.0 67 79 A G S S- 0 0 31 1,-0.3 39,-0.1 38,-0.2 38,-0.1 0.111 104.9 -3.6-106.8-145.8 10.9 6.2 -10.9 68 80 A Q - 0 0 139 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.240 46.8-165.6 -56.3 136.5 14.3 5.7 -9.4 69 81 A R S S+ 0 0 127 1,-0.1 8,-2.1 -3,-0.1 2,-0.3 0.538 72.5 37.4-102.0 -15.6 14.7 2.6 -7.2 70 82 A T B S-G 76 0B 61 6,-0.3 6,-0.2 -42,-0.1 2,-0.1 -0.977 74.5-135.6-135.9 148.8 17.9 3.6 -5.6 71 83 A D > - 0 0 29 4,-2.4 3,-2.2 -2,-0.3 -2,-0.0 -0.405 41.9 -85.8 -90.8-176.8 19.3 6.9 -4.3 72 84 A K T 3 S+ 0 0 176 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.597 128.8 53.6 -65.4 -15.0 22.8 8.4 -4.7 73 85 A Y T 3 S- 0 0 165 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.332 121.0-105.9 -96.6 1.1 23.9 6.5 -1.6 74 86 A G S < S+ 0 0 54 -3,-2.2 2,-0.3 1,-0.3 -47,-0.3 0.593 72.5 145.1 82.3 12.1 22.8 3.1 -3.0 75 87 A R - 0 0 68 -49,-0.1 -4,-2.4 1,-0.1 -1,-0.3 -0.629 53.8-115.6 -80.7 139.2 19.8 2.9 -0.7 76 88 A G E -fG 28 70B 0 -49,-2.5 -47,-3.5 -2,-0.3 2,-0.6 -0.471 23.7-144.1 -63.6 144.5 16.6 1.3 -2.1 77 89 A L E +f 29 0B 27 -8,-2.1 -12,-0.5 -49,-0.2 2,-0.3 -0.966 43.3 124.4-114.2 113.9 13.7 3.8 -2.4 78 90 A A E -f 30 0B 0 -49,-1.4 -47,-2.2 -2,-0.6 2,-0.5 -0.972 63.8 -99.1-156.9 168.5 10.4 2.1 -1.6 79 91 A Y E -B 63 0A 0 -16,-2.9 -16,-2.4 -2,-0.3 2,-0.4 -0.861 43.3-150.7 -89.3 130.6 7.2 1.9 0.3 80 92 A I E -B 62 0A 1 -2,-0.5 7,-3.2 -18,-0.2 8,-0.6 -0.905 11.1-165.7-111.6 134.9 7.6 -0.7 3.0 81 93 A Y E -BC 61 86A 15 -20,-2.8 -20,-2.1 -2,-0.4 2,-0.5 -0.912 10.9-164.5-118.2 145.0 4.7 -2.8 4.4 82 94 A A E > S-BC 60 85A 8 3,-2.6 3,-2.1 -2,-0.4 -22,-0.2 -0.982 83.9 -19.0-126.9 119.4 4.4 -5.0 7.4 83 95 A D T 3 S- 0 0 92 -24,-2.8 -23,-0.1 -2,-0.5 -1,-0.1 0.888 130.0 -52.3 48.8 41.1 1.4 -7.4 7.4 84 96 A G T 3 S+ 0 0 49 -25,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.400 114.0 116.5 85.1 -7.3 -0.2 -5.2 4.8 85 97 A K E < -C 82 0A 112 -3,-2.1 -3,-2.6 4,-0.0 2,-0.5 -0.845 67.3-122.7 -99.5 127.1 0.2 -1.9 6.7 86 98 A M E > -C 81 0A 6 -2,-0.5 4,-2.2 -5,-0.2 -5,-0.3 -0.591 12.8-158.6 -70.8 120.8 2.4 0.8 5.1 87 99 A V H > S+ 0 0 1 -7,-3.2 4,-2.5 -2,-0.5 5,-0.3 0.919 92.7 55.7 -62.8 -40.7 5.2 1.9 7.4 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.930 112.8 40.9 -60.3 -48.1 5.6 5.2 5.6 89 101 A E H > S+ 0 0 57 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.885 112.3 55.3 -64.2 -44.4 1.9 6.1 6.1 90 102 A A H X S+ 0 0 4 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.913 106.6 50.5 -59.8 -40.6 1.8 4.8 9.7 91 103 A L H <>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 6,-0.8 0.926 113.2 45.9 -62.2 -47.4 4.8 7.1 10.7 92 104 A V H ><5S+ 0 0 0 -4,-1.6 3,-1.9 -5,-0.3 -2,-0.2 0.939 110.0 54.0 -63.6 -41.2 3.1 10.1 9.2 93 105 A R H 3<5S+ 0 0 62 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.806 109.2 48.8 -65.8 -27.8 -0.2 9.3 10.7 94 106 A Q T 3<5S- 0 0 75 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.353 115.4-113.5 -89.4 5.6 1.4 9.1 14.2 95 107 A G T < 5S+ 0 0 0 -3,-1.9 32,-2.5 2,-0.2 -3,-0.2 0.774 86.7 116.8 65.8 29.4 3.2 12.5 13.8 96 108 A L S - 0 0 153 -2,-1.2 3,-2.2 3,-0.4 -3,-0.0 -0.824 34.8-101.4 -95.8 144.5 10.2 14.0 -6.3 104 116 A K T 3 S+ 0 0 202 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.191 108.2 23.1 -61.7 133.5 8.1 14.0 -9.5 105 117 A G T 3 S+ 0 0 37 -38,-0.1 -1,-0.3 1,-0.1 -39,-0.2 0.404 115.7 64.3 85.3 -9.4 7.7 10.4 -10.7 106 118 A N S < S+ 0 0 14 -3,-2.2 -3,-0.4 -40,-0.2 -74,-0.1 -0.400 77.8 93.5-126.3 58.1 8.2 8.7 -7.4 107 119 A N > + 0 0 55 -5,-0.1 3,-1.9 1,-0.1 4,-0.3 0.074 32.7 130.1-136.8 30.3 5.2 10.2 -5.7 108 120 A T T 3 S+ 0 0 74 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.875 82.5 40.3 -53.5 -43.3 2.3 7.7 -6.2 109 121 A H T 3> S+ 0 0 35 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.186 81.7 112.1 -94.6 16.3 1.3 7.7 -2.5 110 122 A E H <> S+ 0 0 34 -3,-1.9 4,-2.9 1,-0.2 5,-0.2 0.930 78.0 44.6 -56.2 -50.7 1.7 11.4 -1.9 111 123 A Q H > S+ 0 0 131 -3,-0.4 4,-2.3 -4,-0.3 -1,-0.2 0.914 111.4 54.5 -68.3 -33.9 -1.9 12.4 -1.4 112 124 A L H > S+ 0 0 73 -4,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.940 112.9 43.6 -58.7 -45.1 -2.5 9.3 0.9 113 125 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.890 110.1 54.0 -73.0 -35.2 0.4 10.5 3.1 114 126 A R H X S+ 0 0 94 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.2 0.878 107.7 52.8 -65.2 -33.7 -0.6 14.2 3.0 115 127 A K H X S+ 0 0 133 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.942 109.7 48.2 -67.9 -36.3 -4.1 13.1 4.3 116 128 A A H X S+ 0 0 1 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.885 110.5 51.5 -66.4 -41.2 -2.4 11.2 7.2 117 129 A E H X S+ 0 0 26 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.900 107.3 52.7 -62.1 -41.7 -0.2 14.2 8.0 118 130 A A H X S+ 0 0 57 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.904 110.9 48.1 -61.1 -40.2 -3.3 16.5 8.1 119 131 A Q H X S+ 0 0 75 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.931 111.6 48.4 -67.6 -44.2 -4.9 14.1 10.6 120 132 A A H <>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 4,-0.3 0.869 113.2 48.6 -56.6 -44.4 -1.8 13.9 12.7 121 133 A K H ><5S+ 0 0 104 -4,-2.5 3,-1.0 3,-0.2 -2,-0.2 0.901 109.1 51.6 -64.9 -42.2 -1.6 17.7 12.8 122 134 A K H 3<5S+ 0 0 180 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.907 112.5 47.0 -62.2 -36.3 -5.3 18.1 13.7 123 135 A E T 3<5S- 0 0 102 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.522 108.5-130.1 -82.4 -3.5 -4.7 15.6 16.6 124 136 A K T < 5 + 0 0 150 -3,-1.0 2,-0.4 -4,-0.3 -3,-0.2 0.870 42.7 178.5 57.0 42.2 -1.6 17.6 17.6 125 137 A L > < - 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