==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-JAN-13 4IZ8 . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR P.C.BELL-UPP,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) . 7327.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 86 66.7 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 . 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 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 68 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 153.1 0.1 -0.9 29.9 2 8 A E - 0 0 155 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.966 360.0-129.8-130.1 135.4 0.8 -4.5 31.2 3 9 A K - 0 0 92 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.660 27.2-169.5 -81.0 137.8 1.8 -5.9 34.5 4 10 A E E -A 62 0A 42 58,-2.7 58,-3.1 -2,-0.3 -2,-0.0 -0.956 25.2 -99.2-125.1 152.0 4.9 -8.2 34.6 5 11 A P E +A 61 0A 104 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.229 43.9 158.5 -68.2 148.3 6.3 -10.4 37.3 6 12 A A E -A 60 0A 11 54,-1.5 54,-0.7 15,-0.1 2,-0.4 -0.950 27.2-136.7-154.4 165.7 9.2 -9.4 39.5 7 13 A T E -D 20 0B 84 13,-1.7 13,-3.0 -2,-0.3 2,-0.2 -0.973 28.7-104.9-126.3 147.6 10.4 -10.6 43.0 8 14 A L E +D 19 0B 55 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.477 34.9 170.2 -68.0 131.8 11.7 -8.4 45.8 9 15 A I E - 0 0 68 9,-2.7 2,-0.3 1,-0.2 10,-0.2 0.793 68.9 -26.8 -98.1 -52.3 15.5 -8.4 46.4 10 16 A K E -D 18 0B 125 8,-1.9 8,-3.0 0, 0.0 -1,-0.2 -0.943 53.9-117.2-165.4 137.1 15.5 -5.5 48.9 11 17 A A E +D 17 0B 18 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.473 31.9 174.4 -64.9 144.0 13.7 -2.4 50.0 12 18 A I - 0 0 82 4,-1.2 2,-0.2 1,-0.5 5,-0.2 0.656 50.6 -42.0-116.5 -65.5 15.9 0.7 49.6 13 19 A D S S- 0 0 23 3,-1.8 3,-0.5 33,-0.1 -1,-0.5 -0.721 76.5 -61.0-151.2-163.6 13.9 3.9 50.4 14 20 A G S S+ 0 0 0 22,-0.4 77,-0.1 1,-0.2 23,-0.1 0.857 130.5 18.8 -60.4 -34.4 10.6 5.5 49.8 15 21 A D S S+ 0 0 4 21,-0.1 15,-2.5 20,-0.1 2,-0.4 0.237 115.8 67.5-125.6 12.0 10.7 5.6 46.0 16 22 A T E + E 0 29B 11 -3,-0.5 -3,-1.8 13,-0.2 -4,-1.2 -0.992 50.7 169.9-131.5 146.1 13.4 3.0 45.1 17 23 A V E -DE 11 28B 2 11,-1.9 11,-3.1 -2,-0.4 2,-0.5 -0.988 31.5-124.2-150.8 147.3 13.4 -0.7 45.5 18 24 A K E +DE 10 27B 69 -8,-3.0 -9,-2.7 -2,-0.3 -8,-1.9 -0.825 39.4 170.4 -98.6 122.3 15.7 -3.5 44.3 19 25 A L E -DE 8 26B 0 7,-2.6 7,-2.6 -2,-0.5 2,-0.6 -0.912 37.9-121.9-128.6 154.5 13.8 -6.2 42.3 20 26 A M E +DE 7 25B 80 -13,-3.0 -13,-1.7 -2,-0.3 2,-0.4 -0.899 36.8 179.1 -93.3 122.6 14.6 -9.2 40.2 21 27 A Y E > - E 0 24B 19 3,-2.7 3,-1.9 -2,-0.6 -15,-0.1 -0.989 68.0 -10.2-133.8 125.6 13.1 -8.6 36.8 22 28 A K T 3 S- 0 0 163 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.832 131.5 -55.2 47.9 40.4 13.4 -11.1 34.0 23 29 A G T 3 S+ 0 0 49 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.498 117.7 105.0 83.9 1.7 16.0 -12.9 36.1 24 30 A Q E < S-E 21 0B 126 -3,-1.9 -3,-2.7 -5,-0.0 2,-0.3 -0.929 72.3-116.4-122.9 142.0 18.3 -9.8 36.7 25 31 A P E +E 20 0B 71 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.564 43.6 167.7 -76.7 135.1 18.7 -7.6 39.7 26 32 A M E -E 19 0B 44 -7,-2.6 -7,-2.6 -2,-0.3 2,-0.5 -0.996 36.5-127.2-147.5 145.0 17.7 -4.0 39.1 27 33 A T E -E 18 0B 49 -2,-0.3 49,-2.6 47,-0.3 2,-0.4 -0.838 29.8-153.9 -90.0 127.5 17.0 -0.9 41.1 28 34 A F E -Ef 17 76B 0 -11,-3.1 -11,-1.9 -2,-0.5 2,-0.5 -0.893 7.0-157.6-103.3 130.8 13.6 0.5 40.3 29 35 A R E -Ef 16 77B 21 47,-3.5 49,-1.4 -2,-0.4 2,-0.3 -0.944 29.5-118.1-102.7 126.9 12.6 4.2 40.7 30 36 A L E > - f 0 78B 4 -15,-2.5 3,-0.9 -2,-0.5 49,-0.2 -0.465 30.5-118.3 -72.3 128.0 8.9 4.7 41.0 31 37 A L T 3 S+ 0 0 10 47,-2.5 49,-0.1 -2,-0.3 -1,-0.1 -0.376 84.4 8.5 -59.0 147.2 7.4 6.8 38.2 32 38 A L T 3 S+ 0 0 2 69,-0.5 68,-1.6 1,-0.2 2,-0.3 0.468 107.4 91.5 67.4 13.9 5.6 10.1 38.9 33 39 A V E < -H 99 0C 0 -3,-0.9 2,-0.4 66,-0.3 66,-0.2 -0.901 51.0-160.0-135.0 164.7 6.5 10.5 42.5 34 40 A D E -H 98 0C 58 64,-1.8 64,-2.3 -2,-0.3 3,-0.0 -0.931 10.3-169.9-143.1 116.5 9.1 12.0 44.9 35 41 A T - 0 0 1 -2,-0.4 62,-0.2 62,-0.2 -20,-0.1 -0.714 36.9 -97.3 -93.8 156.2 9.5 10.8 48.4 36 42 A P - 0 0 19 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.353 46.4-101.6 -64.7 150.7 11.8 12.7 50.9 37 43 A E > - 0 0 87 1,-0.1 3,-2.4 -24,-0.1 6,-0.2 -0.345 37.7-102.4 -65.5 157.6 15.3 11.3 51.2 38 50 A F T 3 S+ 0 0 135 1,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.815 123.9 56.5 -51.9 -34.2 15.8 9.2 54.4 39 51 A N T 3 S+ 0 0 137 4,-0.2 -1,-0.3 3,-0.1 2,-0.2 0.528 99.1 76.4 -79.4 -5.5 17.7 12.2 55.9 40 52 A E S X S- 0 0 96 -3,-2.4 3,-2.3 1,-0.1 0, 0.0 -0.573 99.1 -72.3-104.8 163.2 14.7 14.6 55.4 41 53 A K T 3 S+ 0 0 156 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.292 122.3 10.6 -54.9 133.6 11.4 15.1 57.3 42 54 A Y T 3> S+ 0 0 39 -4,-0.1 4,-2.5 -3,-0.1 -1,-0.3 0.382 97.4 114.2 71.2 -0.8 9.0 12.1 56.5 43 55 A G H <> S+ 0 0 0 -3,-2.3 4,-2.5 -6,-0.2 5,-0.2 0.948 76.1 44.9 -67.4 -45.5 11.9 10.2 54.8 44 56 A P H > S+ 0 0 50 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.877 113.6 50.5 -64.3 -36.2 12.0 7.4 57.3 45 57 A E H > S+ 0 0 98 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.894 111.1 49.2 -70.9 -39.1 8.2 7.1 57.3 46 58 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.932 112.2 47.8 -59.7 -49.5 8.2 6.9 53.5 47 59 A S H X S+ 0 0 16 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.934 113.6 48.3 -55.6 -46.3 11.0 4.3 53.5 48 60 A A H X S+ 0 0 56 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.882 109.9 52.3 -59.7 -40.9 9.1 2.3 56.1 49 61 A F H X S+ 0 0 60 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.943 113.2 41.9 -64.2 -52.8 5.9 2.6 54.2 50 62 A T H X S+ 0 0 4 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.908 112.8 55.2 -61.4 -45.5 7.3 1.3 51.0 51 63 A K H X S+ 0 0 94 -4,-2.6 4,-3.0 -5,-0.2 5,-0.3 0.936 109.7 46.0 -52.9 -53.8 9.3 -1.5 52.8 52 64 A K H X S+ 0 0 139 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.945 112.2 51.3 -55.5 -43.0 6.2 -2.8 54.5 53 65 A M H X S+ 0 0 26 -4,-2.2 4,-0.6 1,-0.2 -2,-0.2 0.933 117.2 37.3 -63.1 -45.0 4.2 -2.8 51.3 54 66 A V H < S+ 0 0 3 -4,-2.8 3,-0.3 1,-0.2 -1,-0.2 0.874 117.3 49.5 -78.5 -34.5 6.8 -4.7 49.2 55 67 A E H < S+ 0 0 100 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.787 112.7 47.5 -73.2 -31.2 8.0 -7.1 52.0 56 68 A N H < S+ 0 0 103 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.608 90.5 106.5 -85.4 -17.1 4.4 -8.1 52.9 57 69 A A < - 0 0 20 -4,-0.6 3,-0.2 -3,-0.3 -49,-0.1 -0.395 52.9-163.0 -67.4 137.7 3.4 -8.7 49.3 58 70 A K S S+ 0 0 193 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.758 86.9 32.6 -82.4 -29.0 2.9 -12.2 48.0 59 71 A K - 0 0 112 -52,-0.0 24,-3.0 2,-0.0 2,-0.4 -0.968 67.2-171.1-136.0 117.0 3.1 -10.9 44.5 60 72 A I E -AB 6 82A 10 -54,-0.7 -54,-1.5 -2,-0.4 2,-0.3 -0.875 13.3-172.9-101.3 134.6 5.1 -7.9 43.2 61 73 A E E -AB 5 81A 29 20,-2.1 20,-2.6 -2,-0.4 2,-0.4 -0.979 14.2-146.1-126.1 151.8 4.5 -6.7 39.6 62 74 A V E -AB 4 80A 0 -58,-3.1 -58,-2.7 -2,-0.3 2,-0.4 -0.926 10.3-170.0-115.1 136.3 6.2 -4.1 37.5 63 75 A E E - B 0 79A 12 16,-2.2 16,-2.6 -2,-0.4 -60,-0.2 -0.927 7.8-157.8-126.9 111.8 4.4 -2.0 34.9 64 76 A F - 0 0 12 -62,-0.5 -62,-0.4 -2,-0.4 14,-0.2 -0.423 13.5-134.7 -82.8 157.2 6.4 0.1 32.5 65 77 A D - 0 0 4 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.158 36.9 -85.2 -90.8-161.8 4.8 3.1 30.9 66 78 A K S S+ 0 0 157 39,-0.3 40,-0.2 -2,-0.1 3,-0.1 0.555 104.0 45.2 -83.6 -17.2 5.1 4.0 27.1 67 79 A G S S- 0 0 32 38,-0.3 39,-0.1 1,-0.3 38,-0.1 0.168 104.7 -0.8-108.2-141.8 8.4 5.8 27.2 68 80 A Q - 0 0 124 1,-0.2 -1,-0.3 -4,-0.1 -3,-0.3 -0.223 48.0-169.5 -58.1 132.4 11.9 5.5 28.7 69 81 A R S S+ 0 0 124 1,-0.2 8,-2.4 -3,-0.1 2,-0.4 0.546 73.1 39.4-101.7 -11.8 12.2 2.3 30.8 70 82 A T B S-G 76 0B 74 6,-0.3 6,-0.2 -42,-0.1 -1,-0.2 -0.990 76.4-140.5-130.4 142.3 15.5 3.1 32.4 71 83 A D > - 0 0 24 4,-2.5 3,-1.9 -2,-0.4 -2,-0.1 -0.217 42.3 -83.7 -87.7-176.5 16.8 6.5 33.6 72 84 A K T 3 S+ 0 0 174 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.624 129.7 54.2 -66.3 -12.3 20.3 8.0 33.3 73 85 A Y T 3 S- 0 0 166 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.296 120.9-106.6 -99.0 1.6 21.5 6.1 36.4 74 86 A G S < S+ 0 0 52 -3,-1.9 2,-0.3 1,-0.3 -47,-0.3 0.573 71.6 145.5 78.6 15.4 20.3 2.8 34.9 75 87 A R - 0 0 68 -49,-0.1 -4,-2.5 1,-0.1 -1,-0.3 -0.636 54.2-112.9 -81.1 137.3 17.3 2.5 37.3 76 88 A G E -fG 28 70B 0 -49,-2.6 -47,-3.5 -2,-0.3 2,-0.6 -0.435 24.5-144.0 -59.5 139.8 14.1 0.9 36.0 77 89 A L E +f 29 0B 19 -8,-2.4 -12,-0.5 -49,-0.2 2,-0.3 -0.963 43.6 126.9-113.2 111.5 11.2 3.4 35.7 78 90 A A E -f 30 0B 0 -49,-1.4 -47,-2.5 -2,-0.6 2,-0.5 -0.957 62.5-102.7-154.3 163.0 7.9 1.7 36.5 79 91 A Y E -B 63 0A 0 -16,-2.6 -16,-2.2 -2,-0.3 2,-0.4 -0.889 43.0-149.1 -85.5 133.7 4.7 1.6 38.5 80 92 A I E -B 62 0A 2 -2,-0.5 7,-3.0 -18,-0.2 8,-0.7 -0.901 10.0-162.1-114.0 130.1 5.1 -1.0 41.2 81 93 A Y E -BC 61 86A 16 -20,-2.6 -20,-2.1 -2,-0.4 2,-0.5 -0.913 8.5-162.4-113.2 136.3 2.2 -3.2 42.5 82 94 A A E > S-BC 60 85A 7 3,-3.0 3,-2.0 -2,-0.4 -22,-0.2 -0.973 84.3 -25.1-119.7 111.9 2.1 -5.1 45.7 83 95 A D T 3 S- 0 0 82 -24,-3.0 -1,-0.1 -2,-0.5 -23,-0.1 0.896 130.5 -46.7 45.0 47.6 -0.7 -7.7 45.6 84 96 A G T 3 S+ 0 0 46 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.376 116.1 115.1 87.2 -8.2 -2.5 -5.6 43.0 85 97 A K E < -C 82 0A 116 -3,-2.0 -3,-3.0 -32,-0.1 2,-0.5 -0.866 67.0-125.4 -97.0 132.1 -2.1 -2.3 44.9 86 98 A M E > -C 81 0A 7 -2,-0.5 4,-2.2 -5,-0.2 -5,-0.3 -0.552 12.5-159.7 -80.5 117.9 0.1 0.4 43.3 87 99 A V H > S+ 0 0 1 -7,-3.0 4,-2.5 -2,-0.5 5,-0.3 0.899 90.6 57.6 -58.2 -44.1 2.8 1.6 45.6 88 100 A N H > S+ 0 0 0 -8,-0.7 4,-1.7 1,-0.2 -1,-0.2 0.935 111.6 41.1 -54.6 -51.6 3.3 4.8 43.8 89 101 A E H > S+ 0 0 57 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.888 112.1 55.5 -64.3 -44.7 -0.4 5.8 44.3 90 102 A A H X S+ 0 0 5 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.870 106.5 50.2 -56.7 -45.8 -0.4 4.6 47.9 91 103 A L H <>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 6,-0.8 0.936 113.3 46.1 -56.6 -48.3 2.5 6.8 48.9 92 104 A V H ><5S+ 0 0 0 -4,-1.7 3,-1.8 -5,-0.3 -2,-0.2 0.931 109.9 54.0 -62.2 -41.9 0.9 9.8 47.3 93 105 A R H 3<5S+ 0 0 74 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.841 110.0 49.1 -65.2 -27.7 -2.5 9.0 49.0 94 106 A Q T 3<5S- 0 0 75 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.419 114.4-114.9 -90.9 3.0 -0.8 8.9 52.3 95 107 A G T < 5S+ 0 0 0 -3,-1.8 32,-2.5 -4,-0.2 -3,-0.2 0.787 86.3 116.0 66.5 27.6 1.1 12.2 51.9 96 108 A L S - 0 0 152 -2,-1.1 3,-2.1 3,-0.4 -3,-0.0 -0.823 36.2 -94.9-108.4 140.1 7.7 13.7 31.7 104 116 A K T 3 S+ 0 0 204 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.145 108.7 18.2 -55.2 137.6 5.8 13.5 28.5 105 117 A G T 3 S+ 0 0 33 -38,-0.1 -38,-0.3 1,-0.1 -39,-0.3 0.474 116.1 68.0 75.5 -2.5 5.1 9.9 27.4 106 118 A N S < S+ 0 0 12 -3,-2.1 -3,-0.4 -40,-0.2 -2,-0.1 -0.348 76.1 91.6-126.2 55.2 5.7 8.3 30.7 107 119 A N > + 0 0 57 -5,-0.1 3,-1.7 1,-0.1 4,-0.3 0.077 34.6 129.6-138.0 30.6 2.7 9.8 32.4 108 120 A T T 3 S+ 0 0 71 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.886 82.2 40.0 -54.0 -45.7 -0.2 7.3 32.0 109 121 A H T 3> S+ 0 0 37 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.212 82.7 112.6 -95.0 18.8 -1.1 7.3 35.6 110 122 A E H <> S+ 0 0 35 -3,-1.7 4,-3.0 1,-0.2 5,-0.2 0.930 76.9 45.0 -57.8 -47.7 -0.7 11.1 36.2 111 123 A Q H > S+ 0 0 132 -3,-0.4 4,-2.2 -4,-0.3 -1,-0.2 0.901 111.4 54.2 -70.1 -37.0 -4.3 12.0 36.8 112 124 A L H > S+ 0 0 75 -4,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.921 113.0 43.8 -52.9 -50.9 -4.9 9.1 39.1 113 125 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.912 110.6 53.4 -70.0 -37.3 -1.9 10.2 41.2 114 126 A R H X S+ 0 0 94 -4,-3.0 4,-2.4 -5,-0.2 -1,-0.2 0.906 107.0 53.4 -62.8 -30.1 -2.9 13.8 41.2 115 127 A K H X S+ 0 0 152 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.952 109.2 48.3 -70.8 -41.3 -6.3 12.8 42.5 116 128 A A H X S+ 0 0 7 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.905 110.7 52.0 -60.5 -44.8 -4.6 10.9 45.4 117 129 A E H X S+ 0 0 22 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.913 106.5 52.9 -61.3 -42.5 -2.5 13.9 46.1 118 130 A A H X S+ 0 0 55 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.925 110.7 47.1 -59.5 -41.1 -5.4 16.2 46.3 119 131 A Q H X S+ 0 0 76 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.949 111.2 50.7 -70.6 -39.9 -7.1 13.9 48.8 120 132 A A H <>S+ 0 0 0 -4,-2.8 5,-2.3 1,-0.2 -1,-0.2 0.894 112.8 47.4 -57.2 -41.3 -3.9 13.6 50.9 121 133 A K H ><5S+ 0 0 95 -4,-2.5 3,-1.6 2,-0.2 -1,-0.2 0.911 107.7 54.2 -69.5 -39.7 -3.6 17.4 50.9 122 134 A K H 3<5S+ 0 0 154 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.872 112.2 46.6 -61.9 -36.2 -7.3 17.9 51.8 123 135 A E T 3<5S- 0 0 84 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.454 107.7-129.6 -80.2 -4.7 -6.7 15.6 54.8 124 136 A K T < 5 + 0 0 139 -3,-1.6 2,-0.4 -4,-0.2 -3,-0.2 0.874 43.9 178.0 49.9 43.5 -3.5 17.4 55.7 125 137 A L > < - 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