==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-JUN-08 3DHQ . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR M.J.HARMS,J.L.SCHLESSMAN,E.B.GARCIA-MORENO . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7425.0 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 . 1 0.8 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 . 7 5.4 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 . 27 20.9 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 2 0 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 0.000 360.0 360.0 360.0 127.2 2.0 -0.8 -8.3 2 8 A H - 0 0 111 62,-0.2 62,-0.5 63,-0.1 2,-0.3 -0.915 360.0-129.0-124.3 146.6 2.9 -4.3 -7.3 3 9 A K E -A 63 0A 79 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.659 16.9-163.3 -93.7 142.8 4.3 -5.8 -4.1 4 10 A E E -A 62 0A 32 58,-3.2 58,-3.2 -2,-0.3 2,-0.1 -0.873 27.2-101.6-117.3 159.2 7.3 -8.2 -3.8 5 11 A P E +A 61 0A 105 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.453 41.1 170.5 -76.7 148.1 8.3 -10.4 -0.9 6 12 A A E -A 60 0A 9 54,-1.8 54,-0.7 -2,-0.1 2,-0.4 -0.981 22.9-137.8-154.7 152.2 11.1 -9.5 1.6 7 13 A T E -D 20 0B 95 13,-1.9 13,-3.0 -2,-0.3 2,-0.1 -0.928 28.8-109.2-114.6 132.0 12.5 -10.8 4.9 8 14 A L E +D 19 0B 48 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.358 38.6 165.5 -50.8 121.2 13.6 -8.7 7.8 9 15 A I E - 0 0 79 9,-2.5 2,-0.3 1,-0.3 10,-0.2 0.755 69.6 -21.5 -92.7 -59.9 17.3 -8.8 8.3 10 16 A K E -D 18 0B 148 8,-1.6 8,-3.5 0, 0.0 -1,-0.3 -0.984 53.7-126.4-154.4 135.6 17.5 -5.8 10.7 11 17 A A E +D 17 0B 14 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.554 30.9 175.8 -69.2 146.5 15.5 -2.8 11.8 12 18 A I - 0 0 85 4,-1.4 2,-0.2 1,-0.5 5,-0.2 0.649 48.6 -41.1-121.8 -69.9 17.7 0.3 11.5 13 19 A D S S- 0 0 22 3,-1.8 -1,-0.5 33,-0.1 3,-0.3 -0.719 77.7 -59.0-144.1-158.4 15.8 3.5 12.3 14 20 A G S S+ 0 0 0 22,-0.4 77,-0.1 1,-0.2 23,-0.1 0.858 131.3 17.1 -57.9 -40.4 12.5 5.2 11.7 15 21 A D S S+ 0 0 3 21,-0.1 15,-2.4 20,-0.1 2,-0.3 0.266 116.4 68.7-124.2 9.4 12.6 5.3 7.9 16 22 A T E + E 0 29B 11 -3,-0.3 -3,-1.8 13,-0.2 -4,-1.4 -0.979 48.9 166.9-129.6 148.9 15.3 2.7 7.0 17 23 A V E -DE 11 28B 2 11,-1.9 11,-3.7 -2,-0.3 2,-0.5 -0.975 32.5-122.7-153.0 151.0 15.4 -1.1 7.4 18 24 A K E +DE 10 27B 68 -8,-3.5 -9,-2.5 -2,-0.3 -8,-1.6 -0.897 37.6 178.7-101.7 127.4 17.7 -3.9 6.1 19 25 A L E -DE 8 26B 0 7,-3.3 7,-2.1 -2,-0.5 2,-0.7 -0.955 35.4-123.2-134.2 149.1 15.8 -6.5 4.1 20 26 A M E +DE 7 25B 79 -13,-3.0 -13,-1.9 -2,-0.4 2,-0.4 -0.834 41.3 176.8 -88.7 115.1 16.6 -9.7 2.2 21 27 A Y E > - E 0 24B 17 3,-3.0 3,-1.8 -2,-0.7 -15,-0.1 -0.981 63.5 -15.9-134.4 118.5 15.2 -9.0 -1.2 22 28 A K T 3 S- 0 0 153 -2,-0.4 -1,-0.2 -17,-0.4 -16,-0.1 0.884 130.4 -52.7 49.4 42.4 15.5 -11.4 -4.2 23 29 A G T 3 S+ 0 0 53 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.305 120.3 100.0 84.3 -7.2 18.2 -13.2 -2.2 24 30 A Q E < S-E 21 0B 128 -3,-1.8 -3,-3.0 -5,-0.0 2,-0.2 -0.915 73.5-118.2-115.0 136.7 20.4 -10.2 -1.4 25 31 A P E +E 20 0B 72 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.492 42.5 172.4 -61.1 135.9 20.7 -8.0 1.7 26 32 A M E -E 19 0B 50 -7,-2.1 -7,-3.3 -2,-0.2 2,-0.5 -0.987 34.2-124.8-149.5 143.6 19.7 -4.4 1.0 27 33 A T E -E 18 0B 32 -2,-0.3 49,-1.8 47,-0.3 2,-0.4 -0.767 31.6-154.6 -85.0 126.4 19.1 -1.2 3.0 28 34 A F E -Ef 17 76B 0 -11,-3.7 -11,-1.9 -2,-0.5 2,-0.4 -0.859 8.8-159.3-109.1 136.5 15.7 0.2 2.3 29 35 A R E -Ef 16 77B 19 47,-2.2 49,-1.9 -2,-0.4 2,-0.3 -0.946 27.5-117.0-109.7 131.4 14.6 3.8 2.6 30 36 A L E > - f 0 78B 5 -15,-2.4 3,-0.7 -2,-0.4 49,-0.2 -0.531 29.6-122.7 -71.1 131.5 10.9 4.6 2.9 31 37 A L T 3 S+ 0 0 10 47,-2.1 49,-0.1 -2,-0.3 71,-0.1 -0.456 83.8 5.2 -68.9 143.9 9.3 6.6 0.1 32 38 A L T 3 S+ 0 0 3 69,-0.6 68,-2.0 -2,-0.1 2,-0.3 0.360 109.5 92.2 71.9 1.4 7.6 9.9 0.8 33 39 A V E < -H 99 0C 1 -3,-0.7 2,-0.3 66,-0.3 66,-0.2 -0.877 50.8-163.2-128.6 155.1 8.4 10.1 4.5 34 40 A D E -H 98 0C 46 64,-2.0 64,-2.0 -2,-0.3 3,-0.1 -0.862 8.4-170.6-140.8 108.8 11.0 11.5 6.8 35 41 A T - 0 0 1 -2,-0.3 62,-0.2 62,-0.2 8,-0.1 -0.496 37.3 -93.0 -79.3 160.5 11.5 10.4 10.4 36 42 A P - 0 0 18 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.404 44.8-102.7 -63.3 147.2 13.8 12.2 12.8 37 43 A E > - 0 0 89 1,-0.1 3,-2.3 -2,-0.1 6,-0.2 -0.377 39.1-104.0 -64.5 158.9 17.3 10.9 13.1 38 50 A F T 3 S+ 0 0 133 1,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.822 123.4 55.4 -57.9 -31.8 17.8 8.9 16.3 39 51 A N T 3 S+ 0 0 137 4,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.450 99.6 79.9 -81.1 -3.1 19.7 11.8 17.8 40 52 A E S X S- 0 0 97 -3,-2.3 3,-1.7 1,-0.1 2,-0.3 -0.519 99.5 -75.5 -99.7 170.5 16.7 14.2 17.2 41 53 A K T 3 S+ 0 0 161 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.537 121.5 11.3 -68.7 127.3 13.4 14.6 19.1 42 54 A Y T 3> S+ 0 0 52 -2,-0.3 4,-2.3 -4,-0.1 -1,-0.3 0.437 97.2 114.6 76.0 6.0 11.0 11.7 18.3 43 55 A G H <> S+ 0 0 0 -3,-1.7 4,-2.8 -6,-0.2 5,-0.2 0.965 76.5 43.7 -62.4 -58.9 13.9 9.8 16.7 44 56 A P H > S+ 0 0 47 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.890 116.0 50.0 -55.1 -41.3 14.1 7.0 19.3 45 57 A E H > S+ 0 0 94 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.876 111.0 48.2 -64.8 -43.7 10.3 6.8 19.1 46 58 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.962 114.4 46.0 -57.2 -54.1 10.3 6.6 15.3 47 59 A S H X S+ 0 0 16 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.940 114.1 49.5 -53.3 -52.2 13.0 3.9 15.3 48 60 A A H X S+ 0 0 58 -4,-3.0 4,-2.5 -5,-0.2 5,-0.2 0.903 110.3 50.0 -52.4 -50.4 11.0 2.1 18.0 49 61 A F H X S+ 0 0 59 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.891 114.7 43.0 -56.7 -45.2 7.8 2.3 16.1 50 62 A T H X S+ 0 0 4 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.890 112.5 54.4 -72.4 -38.1 9.3 0.9 12.8 51 63 A K H X S+ 0 0 97 -4,-2.8 4,-2.6 -5,-0.2 5,-0.3 0.939 110.9 44.3 -58.3 -52.2 11.3 -1.8 14.7 52 64 A K H X S+ 0 0 137 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.914 114.1 52.0 -58.4 -42.9 8.1 -3.1 16.4 53 65 A M H < S+ 0 0 34 -4,-1.8 4,-0.3 -5,-0.2 -2,-0.2 0.932 117.0 34.8 -64.6 -48.3 6.2 -3.0 13.1 54 66 A V H < S+ 0 0 2 -4,-2.7 3,-0.3 2,-0.2 -1,-0.2 0.867 121.9 47.7 -76.1 -37.0 8.7 -4.9 10.9 55 67 A E H < S+ 0 0 87 -4,-2.6 -2,-0.2 -5,-0.3 -3,-0.2 0.907 111.2 49.0 -69.2 -45.8 9.8 -7.3 13.7 56 68 A N S < S+ 0 0 113 -4,-2.9 2,-0.3 -5,-0.3 -1,-0.2 0.552 94.2 103.2 -68.9 -8.8 6.3 -8.2 14.9 57 69 A A - 0 0 17 -3,-0.3 3,-0.2 -4,-0.3 26,-0.0 -0.587 54.4-164.0 -87.3 140.7 5.2 -8.9 11.3 58 70 A K S S+ 0 0 205 1,-0.3 2,-0.5 -2,-0.3 -1,-0.1 0.840 85.0 32.6 -84.6 -38.8 4.9 -12.3 9.8 59 71 A K - 0 0 116 -52,-0.1 24,-3.4 -54,-0.0 2,-0.4 -0.970 65.9-173.6-126.0 118.6 4.9 -11.1 6.3 60 72 A I E -AB 6 82A 13 -54,-0.7 -54,-1.8 -2,-0.5 2,-0.3 -0.909 9.7-174.8-103.9 138.0 6.8 -8.0 4.9 61 73 A E E -AB 5 81A 40 20,-2.0 20,-2.6 -2,-0.4 2,-0.3 -0.957 11.9-145.1-131.4 152.0 6.4 -6.8 1.4 62 74 A V E -AB 4 80A 0 -58,-3.2 -58,-3.2 -2,-0.3 2,-0.4 -0.888 9.1-168.8-120.7 148.8 8.0 -4.2 -0.7 63 75 A E E -AB 3 79A 8 16,-1.7 16,-2.5 -2,-0.3 -60,-0.2 -0.942 4.9-159.9-142.5 109.8 6.6 -1.9 -3.4 64 76 A F - 0 0 28 -62,-0.5 -62,-0.2 -2,-0.4 14,-0.1 -0.423 16.9-132.4 -80.3 167.1 8.5 0.3 -5.8 65 77 A D - 0 0 3 12,-0.3 41,-0.1 3,-0.3 -1,-0.1 -0.247 33.9 -85.6-104.7-163.3 7.0 3.3 -7.6 66 78 A K S S+ 0 0 167 39,-0.4 40,-0.2 -2,-0.1 3,-0.1 0.667 108.6 40.5 -82.3 -17.5 7.1 4.5 -11.2 67 79 A G S S+ 0 0 33 1,-0.3 -2,-0.1 38,-0.1 39,-0.1 0.117 109.2 2.8-107.3-143.2 10.3 6.4 -10.9 68 80 A Q - 0 0 119 1,-0.1 -3,-0.3 -4,-0.1 -1,-0.3 -0.191 47.5-176.8 -49.3 129.9 13.7 5.8 -9.1 69 81 A R S S+ 0 0 137 1,-0.3 8,-2.7 -3,-0.1 2,-0.4 0.663 73.6 38.4 -99.2 -26.4 13.9 2.4 -7.4 70 82 A T B S-G 76 0B 66 6,-0.3 -1,-0.3 -42,-0.1 6,-0.2 -0.993 80.2-139.6-134.7 121.8 17.4 2.8 -5.9 71 83 A D > - 0 0 17 4,-2.6 3,-2.7 -2,-0.4 4,-0.3 -0.224 36.0 -90.6 -86.5 173.9 18.6 6.1 -4.4 72 84 A K T 3 S+ 0 0 171 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.619 125.2 56.5 -67.9 -13.4 22.0 7.7 -4.7 73 85 A Y T 3 S- 0 0 164 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.140 122.9-102.5 -99.7 17.4 23.3 6.0 -1.6 74 86 A G S < S+ 0 0 48 -3,-2.7 2,-0.4 1,-0.2 -47,-0.3 0.663 75.1 143.6 77.5 16.3 22.3 2.5 -3.0 75 87 A R - 0 0 63 -4,-0.3 -4,-2.6 -49,-0.1 2,-0.4 -0.780 54.9-117.9 -97.1 134.4 19.2 2.2 -0.9 76 88 A G E -fG 28 70B 0 -49,-1.8 -47,-2.2 -2,-0.4 2,-0.7 -0.513 25.4-142.5 -68.0 119.1 16.0 0.6 -2.3 77 89 A L E +f 29 0B 19 -8,-2.7 -12,-0.3 -2,-0.4 2,-0.3 -0.770 40.7 147.3 -86.7 115.1 13.2 3.2 -2.3 78 90 A R E -f 30 0B 7 -49,-1.9 -47,-2.1 -2,-0.7 2,-0.5 -0.966 56.7-121.3-145.6 153.1 9.9 1.4 -1.3 79 91 A Y E -B 63 0A 0 -16,-2.5 -16,-1.7 -2,-0.3 2,-0.4 -0.873 45.2-151.1 -82.4 134.4 6.6 1.5 0.3 80 92 A I E -B 62 0A 1 -2,-0.5 7,-2.4 -18,-0.2 8,-0.6 -0.940 9.5-157.8-119.8 139.4 6.9 -1.2 2.9 81 93 A Y E -BC 61 86A 16 -20,-2.6 -20,-2.0 -2,-0.4 2,-0.6 -0.943 7.9-162.7-120.9 132.7 4.1 -3.3 4.2 82 94 A A E > S-BC 60 85A 7 3,-3.2 3,-1.1 -2,-0.4 -22,-0.2 -0.895 87.5 -25.0-117.8 102.2 3.9 -5.3 7.5 83 95 A D T 3 S- 0 0 78 -24,-3.4 -1,-0.2 -2,-0.6 -23,-0.1 0.909 128.9 -50.5 49.2 45.7 1.1 -7.8 7.3 84 96 A G T 3 S+ 0 0 39 -25,-0.4 2,-0.6 1,-0.2 -1,-0.2 0.295 115.1 117.1 86.6 -10.7 -0.5 -5.5 4.7 85 97 A K E < -C 82 0A 147 -3,-1.1 -3,-3.2 4,-0.0 2,-0.4 -0.849 67.6-125.8 -91.1 121.0 -0.2 -2.4 6.8 86 98 A M E > -C 81 0A 13 -2,-0.6 4,-2.1 -5,-0.3 -5,-0.3 -0.493 11.4-156.9 -69.7 117.2 2.0 0.3 5.2 87 99 A V H > S+ 0 0 1 -7,-2.4 4,-2.7 -2,-0.4 5,-0.3 0.896 92.8 58.1 -57.8 -45.2 4.8 1.4 7.5 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.949 111.0 40.0 -51.5 -57.0 5.1 4.7 5.6 89 101 A E H > S+ 0 0 67 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.881 113.9 56.4 -58.3 -39.9 1.5 5.6 6.2 90 102 A A H X S+ 0 0 20 -4,-2.1 4,-2.0 1,-0.2 6,-0.2 0.925 106.4 46.7 -66.4 -48.2 1.6 4.3 9.8 91 103 A L H <>S+ 0 0 0 -4,-2.7 5,-2.7 2,-0.2 6,-0.9 0.919 114.7 47.9 -55.7 -47.4 4.5 6.5 10.9 92 104 A V H ><5S+ 0 0 0 -4,-1.8 3,-1.6 -5,-0.3 -2,-0.2 0.933 110.0 53.2 -61.8 -45.0 2.9 9.6 9.3 93 105 A R H 3<5S+ 0 0 78 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.833 109.9 47.5 -59.0 -37.8 -0.4 8.7 10.9 94 106 A Q T 3<5S- 0 0 79 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.411 116.2-114.5 -83.8 2.3 1.2 8.6 14.4 95 107 A G T < 5S+ 0 0 0 -3,-1.6 32,-2.1 -4,-0.3 -3,-0.2 0.733 86.6 117.9 69.7 23.5 3.0 11.9 13.8 96 108 A L S - 0 0 150 -2,-0.9 3,-2.4 -3,-0.1 2,-0.5 -0.850 31.8 -91.7-106.1 142.6 9.5 13.9 -6.3 104 116 A K T 3 S+ 0 0 190 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.847 107.5 17.5 -85.2 133.8 7.5 13.5 -9.5 105 117 A G T 3 S+ 0 0 50 -2,-0.5 -39,-0.4 -38,-0.0 -1,-0.3 -0.647 113.6 68.9-116.8 56.7 7.0 11.0 -10.7 106 118 A N S < S+ 0 0 12 -3,-2.4 3,-0.2 -40,-0.2 -2,-0.2 -0.061 75.8 91.1-113.0 30.7 7.7 8.8 -7.7 107 119 A N > + 0 0 40 1,-0.2 3,-2.8 -5,-0.1 4,-0.3 -0.079 30.8 142.8-128.7 29.3 4.8 9.8 -5.5 108 120 A T T 3 S+ 0 0 74 1,-0.3 3,-0.3 -3,-0.2 -1,-0.2 0.788 83.9 41.7 -34.9 -36.0 1.9 7.4 -6.4 109 121 A H T 3> S+ 0 0 36 1,-0.2 4,-1.7 -3,-0.2 3,-0.4 0.240 78.5 109.1-110.5 9.1 1.0 7.5 -2.7 110 122 A E H <> S+ 0 0 50 -3,-2.8 4,-2.6 1,-0.2 5,-0.3 0.893 78.1 51.8 -58.1 -45.6 1.4 11.1 -1.8 111 123 A Q H > S+ 0 0 173 -4,-0.3 4,-1.8 -3,-0.3 -1,-0.2 0.848 109.8 49.2 -64.7 -36.2 -2.3 11.9 -1.4 112 124 A L H > S+ 0 0 60 -3,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.840 113.8 45.8 -72.0 -34.3 -2.9 9.0 1.0 113 125 A L H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.844 112.2 49.7 -77.8 -35.9 0.1 9.9 3.2 114 126 A R H X S+ 0 0 107 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.847 107.9 55.8 -71.0 -34.3 -0.8 13.6 3.2 115 127 A K H X S+ 0 0 154 -4,-1.8 4,-1.5 -5,-0.3 -1,-0.2 0.883 109.4 47.0 -55.6 -41.0 -4.3 12.5 4.2 116 128 A A H X S+ 0 0 7 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.828 111.3 50.2 -73.0 -32.7 -2.7 10.7 7.1 117 129 A E H X S+ 0 0 20 -4,-1.8 4,-3.1 2,-0.2 5,-0.3 0.902 104.3 57.2 -76.9 -43.1 -0.6 13.7 8.1 118 130 A A H X S+ 0 0 58 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.955 110.4 45.5 -42.6 -58.3 -3.5 16.0 8.1 119 131 A Q H X S+ 0 0 72 -4,-1.5 4,-1.7 1,-0.2 -2,-0.2 0.908 113.8 48.1 -58.9 -44.3 -5.2 13.7 10.6 120 132 A A H <>S+ 0 0 0 -4,-2.0 5,-2.5 2,-0.2 -1,-0.2 0.865 114.2 46.4 -62.7 -39.9 -2.0 13.4 12.8 121 133 A K H ><5S+ 0 0 88 -4,-3.1 3,-2.1 2,-0.2 -2,-0.2 0.945 110.6 52.3 -66.8 -50.8 -1.5 17.2 12.8 122 134 A K H 3<5S+ 0 0 158 -4,-3.0 -2,-0.2 -5,-0.3 -1,-0.2 0.865 111.5 48.8 -44.6 -41.4 -5.1 17.8 13.6 123 135 A E T 3<5S- 0 0 70 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.479 107.5-129.7 -84.1 -5.4 -4.6 15.3 16.5 124 136 A K T < 5 + 0 0 142 -3,-2.1 -3,-0.2 1,-0.2 2,-0.2 0.819 44.0 179.4 54.5 37.3 -1.4 17.1 17.6 125 137 A L > < - 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