==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-SEP-10 3OSO . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.A.CARO,J.L.SCHLESSMAN,E.B.GARCIA-MORENO,A.HEROUX . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7386.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 68.2 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 68 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 164.3 2.5 -0.1 -8.3 2 8 A H - 0 0 152 62,-0.4 62,-0.6 63,-0.1 2,-0.3 -0.990 360.0-128.3-132.0 137.7 3.3 -3.6 -7.1 3 9 A K E -A 63 0A 93 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.616 28.2-168.6 -82.8 136.9 4.3 -5.1 -3.8 4 10 A E E -A 62 0A 40 58,-2.5 58,-2.6 -2,-0.3 2,-0.0 -0.946 26.2 -94.5-123.3 156.9 7.4 -7.4 -3.9 5 11 A P E +A 61 0A 107 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.315 44.4 162.2 -72.9 151.1 8.8 -9.7 -1.3 6 12 A A E -A 60 0A 10 54,-1.3 54,-0.7 15,-0.1 2,-0.4 -0.954 27.4-138.4-156.1 159.0 11.6 -8.8 1.2 7 13 A T E -D 20 0B 97 13,-1.7 13,-3.4 -2,-0.3 2,-0.1 -0.992 29.7-110.8-122.9 130.1 12.9 -10.2 4.4 8 14 A L E +D 19 0B 50 -2,-0.4 11,-0.3 11,-0.2 3,-0.1 -0.410 35.7 169.6 -59.6 136.6 13.8 -8.0 7.3 9 15 A I E - 0 0 76 9,-2.8 2,-0.3 1,-0.2 10,-0.2 0.765 67.8 -25.3-106.0 -53.2 17.5 -7.8 8.2 10 16 A K E -D 18 0B 124 8,-1.8 8,-3.4 0, 0.0 2,-0.5 -0.929 51.5-126.5-161.0 136.8 17.6 -4.9 10.7 11 17 A A E -D 17 0B 8 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.733 29.7-178.7 -79.0 127.6 15.5 -1.9 11.5 12 18 A I - 0 0 83 4,-1.6 2,-0.2 -2,-0.5 5,-0.2 0.948 51.8 -36.8 -96.7 -58.3 17.9 1.1 11.5 13 19 A D S S- 0 0 22 3,-1.6 3,-0.5 33,-0.1 -1,-0.3 -0.695 81.7 -59.0-149.7-161.8 16.0 4.2 12.4 14 20 A G S S+ 0 0 0 22,-0.4 77,-0.1 1,-0.2 23,-0.1 0.831 131.6 19.1 -59.1 -32.4 12.5 5.8 11.9 15 21 A D S S+ 0 0 3 21,-0.1 15,-2.9 20,-0.1 2,-0.4 0.271 112.9 71.9-130.4 15.5 12.8 5.9 8.0 16 22 A T E + E 0 29B 10 -3,-0.5 -3,-1.6 13,-0.2 -4,-1.6 -0.996 49.1 174.1-135.3 136.6 15.5 3.4 7.1 17 23 A V E -DE 11 28B 0 11,-2.3 11,-3.1 -2,-0.4 2,-0.5 -0.997 25.4-135.9-136.7 137.5 15.3 -0.4 7.2 18 24 A K E +DE 10 27B 78 -8,-3.4 -9,-2.8 -2,-0.4 -8,-1.8 -0.782 37.8 163.5 -94.8 128.2 17.8 -3.0 6.0 19 25 A A E -DE 8 26B 0 7,-2.7 7,-2.4 -2,-0.5 2,-0.6 -0.987 42.7-110.3-143.9 153.6 16.1 -5.9 4.1 20 26 A M E +DE 7 25B 75 -13,-3.4 -13,-1.7 -2,-0.3 2,-0.4 -0.799 38.6 179.4 -85.4 125.7 16.9 -8.7 1.8 21 27 A Y E > S- E 0 24B 25 3,-2.5 3,-2.1 -2,-0.6 -15,-0.1 -0.987 70.5 -10.0-135.8 124.4 15.4 -8.0 -1.7 22 28 A K T 3 S- 0 0 156 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.864 131.2 -58.1 48.5 35.1 15.9 -10.4 -4.6 23 29 A G T 3 S+ 0 0 49 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.522 117.8 102.7 79.4 9.1 18.3 -12.2 -2.3 24 30 A Q E < S-E 21 0B 130 -3,-2.1 -3,-2.5 -5,-0.1 2,-0.3 -0.941 76.8-109.1-124.8 144.7 20.7 -9.2 -1.7 25 31 A P E +E 20 0B 74 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.537 43.0 176.0 -73.1 135.5 20.9 -7.0 1.4 26 32 A M E -E 19 0B 50 -7,-2.4 -7,-2.7 -2,-0.3 2,-0.6 -0.993 30.1-134.6-134.6 143.0 19.6 -3.5 0.7 27 33 A T E -E 18 0B 51 -2,-0.4 49,-2.4 47,-0.3 2,-0.5 -0.887 29.3-155.7 -93.9 120.9 19.2 -0.4 2.9 28 34 A F E -Ef 17 76B 0 -11,-3.1 -11,-2.3 -2,-0.6 2,-0.5 -0.848 9.0-158.1-101.1 135.0 15.8 1.0 2.1 29 35 A R E -Ef 16 77B 22 47,-3.4 49,-1.4 -2,-0.5 -13,-0.2 -0.951 31.0-113.3-106.4 127.2 14.8 4.7 2.8 30 36 A L E > - f 0 78B 1 -15,-2.9 3,-0.9 -2,-0.5 49,-0.2 -0.377 31.8-120.0 -66.0 127.0 11.1 5.2 3.1 31 37 A L T 3 S+ 0 0 10 47,-2.4 49,-0.1 1,-0.2 -1,-0.1 -0.378 84.8 7.1 -62.6 143.5 9.6 7.3 0.2 32 38 A L T 3 S+ 0 0 3 69,-0.5 68,-1.8 1,-0.2 2,-0.3 0.463 108.5 90.2 73.0 10.0 7.8 10.6 0.9 33 39 A V E < -H 99 0C 0 -3,-0.9 2,-0.3 66,-0.3 66,-0.2 -0.875 51.4-159.9-132.1 161.9 8.7 10.9 4.6 34 40 A D E -H 98 0C 54 64,-1.9 64,-2.2 -2,-0.3 3,-0.1 -0.924 10.9-168.4-141.1 117.8 11.2 12.3 7.0 35 41 A T - 0 0 1 -2,-0.3 62,-0.2 62,-0.2 -20,-0.1 -0.706 36.2 -96.3 -90.2 158.2 11.6 11.0 10.6 36 42 A P - 0 0 16 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.308 46.1 -99.8 -64.7 154.0 13.7 12.9 13.1 37 43 A E > - 0 0 88 1,-0.1 3,-2.4 -24,-0.1 6,-0.3 -0.380 37.6-103.2 -69.6 156.0 17.3 11.6 13.5 38 50 A F T 3 S+ 0 0 132 1,-0.3 5,-0.1 5,-0.2 -1,-0.1 0.828 122.5 50.9 -51.7 -36.2 17.8 9.4 16.5 39 51 A N T 3 S+ 0 0 141 4,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.407 101.1 80.8 -86.9 8.4 19.5 12.2 18.5 40 52 A E S X S- 0 0 99 -3,-2.4 3,-2.3 1,-0.1 2,-0.0 -0.677 98.9 -72.2-106.1 162.6 16.6 14.6 17.8 41 53 A K T 3 S+ 0 0 163 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.336 121.6 8.1 -54.3 132.3 13.2 15.0 19.5 42 54 A Y T 3> S+ 0 0 41 -4,-0.1 4,-2.7 -7,-0.1 -1,-0.3 0.370 98.4 114.9 69.6 0.9 10.9 12.1 18.6 43 55 A G H <> S+ 0 0 0 -3,-2.3 4,-2.6 -6,-0.3 -5,-0.2 0.958 77.1 43.6 -61.5 -49.9 13.8 10.4 16.9 44 56 A P H > S+ 0 0 49 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.892 114.4 51.8 -64.4 -37.9 14.0 7.5 19.4 45 57 A E H > S+ 0 0 99 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.908 110.1 47.7 -66.7 -41.2 10.2 7.2 19.2 46 58 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.916 112.0 50.9 -63.6 -43.2 10.1 7.1 15.4 47 59 A S H X S+ 0 0 16 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.927 111.4 47.2 -60.2 -43.2 12.9 4.5 15.4 48 60 A A H X S+ 0 0 58 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.814 110.3 53.3 -65.3 -40.0 11.0 2.3 17.9 49 61 A F H X S+ 0 0 59 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.958 112.7 41.9 -60.0 -52.8 7.7 2.6 16.0 50 62 A T H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.919 113.9 53.5 -63.4 -38.9 9.3 1.4 12.7 51 63 A K H X S+ 0 0 90 -4,-2.4 4,-2.5 -5,-0.2 5,-0.3 0.917 110.9 45.7 -63.2 -48.8 11.2 -1.3 14.5 52 64 A K H X S+ 0 0 139 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.939 112.7 51.4 -59.4 -43.0 8.1 -2.7 16.2 53 65 A M H X S+ 0 0 28 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.930 117.4 35.3 -63.4 -46.3 6.1 -2.6 13.0 54 66 A V H < S+ 0 0 3 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.826 118.4 50.8 -79.9 -33.0 8.7 -4.4 10.8 55 67 A E H < S+ 0 0 93 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.813 111.3 47.6 -74.0 -32.8 9.9 -6.9 13.5 56 68 A N H < S+ 0 0 114 -4,-2.2 -1,-0.2 -5,-0.3 2,-0.2 0.609 90.1 105.0 -82.9 -14.9 6.5 -8.0 14.5 57 69 A A < - 0 0 19 -4,-0.6 3,-0.1 -5,-0.2 -3,-0.0 -0.460 66.4-143.5 -71.6 142.7 5.2 -8.6 11.0 58 70 A K S S+ 0 0 186 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.845 90.4 6.3 -68.0 -33.0 4.8 -12.0 9.6 59 71 A K - 0 0 111 -52,-0.1 24,-2.8 2,-0.0 2,-0.3 -0.999 62.7-156.1-148.3 148.2 5.9 -10.5 6.3 60 72 A I E -AB 6 82A 10 -54,-0.7 -54,-1.3 -2,-0.3 2,-0.3 -0.910 13.7-168.4-114.0 156.2 7.2 -7.3 4.9 61 73 A E E -AB 5 81A 31 20,-2.1 20,-2.8 -2,-0.3 2,-0.4 -0.961 12.0-140.4-137.9 153.2 7.0 -6.2 1.3 62 74 A V E -AB 4 80A 0 -58,-2.6 -58,-2.5 -2,-0.3 2,-0.5 -0.935 10.6-165.8-114.3 145.7 8.6 -3.4 -0.7 63 75 A E E -AB 3 79A 8 16,-2.3 16,-2.6 -2,-0.4 -60,-0.2 -0.965 8.1-155.3-132.4 115.8 6.8 -1.3 -3.3 64 76 A F - 0 0 10 -62,-0.6 -62,-0.4 -2,-0.5 14,-0.2 -0.522 15.0-129.9 -85.3 158.2 8.8 0.9 -5.6 65 77 A D - 0 0 5 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.087 34.6 -89.4 -89.7-163.9 7.3 3.9 -7.2 66 78 A K S S+ 0 0 167 39,-0.3 40,-0.2 -2,-0.1 3,-0.1 0.568 105.1 46.9 -82.8 -18.8 7.4 4.8 -10.9 67 79 A G S S- 0 0 33 1,-0.3 39,-0.1 38,-0.2 38,-0.1 0.143 105.7 -3.1-100.3-138.3 10.7 6.7 -10.8 68 80 A Q - 0 0 138 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.271 46.6-166.2 -61.1 136.3 14.1 6.3 -9.3 69 81 A R S S+ 0 0 124 -3,-0.1 8,-2.5 1,-0.1 2,-0.3 0.596 72.5 37.1 -99.4 -16.4 14.6 3.1 -7.2 70 82 A T B S-G 76 0B 65 6,-0.3 6,-0.2 -42,-0.1 2,-0.1 -0.958 73.9-137.4-131.4 149.9 17.8 4.0 -5.6 71 83 A D > - 0 0 33 4,-2.2 3,-2.2 -2,-0.3 -2,-0.1 -0.341 43.0 -84.4 -96.0-179.4 19.1 7.3 -4.2 72 84 A K T 3 S+ 0 0 179 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.633 129.2 54.0 -62.1 -17.4 22.6 8.8 -4.5 73 85 A Y T 3 S- 0 0 165 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.394 120.0-107.1 -93.0 1.9 23.7 6.8 -1.5 74 86 A G S < S+ 0 0 51 -3,-2.2 -47,-0.3 1,-0.3 2,-0.3 0.552 71.8 145.0 75.9 13.3 22.6 3.5 -3.0 75 87 A R - 0 0 69 -49,-0.1 -4,-2.2 1,-0.1 -1,-0.3 -0.620 54.1-115.0 -77.8 139.0 19.6 3.2 -0.7 76 88 A G E -fG 28 70B 0 -49,-2.4 -47,-3.4 -2,-0.3 2,-0.6 -0.454 23.2-143.5 -65.1 141.2 16.5 1.6 -2.1 77 89 A L E +f 29 0B 28 -8,-2.5 -12,-0.5 -49,-0.2 2,-0.3 -0.953 43.2 131.0-111.9 113.0 13.5 4.1 -2.2 78 90 A A E -f 30 0B 0 -49,-1.4 -47,-2.4 -2,-0.6 2,-0.5 -0.955 60.7-108.0-151.9 165.1 10.3 2.3 -1.5 79 91 A Y E -B 63 0A 0 -16,-2.6 -16,-2.3 -2,-0.3 2,-0.4 -0.891 41.0-149.7 -92.1 131.0 7.0 2.1 0.4 80 92 A I E -B 62 0A 1 -2,-0.5 7,-3.3 -18,-0.2 8,-0.6 -0.910 8.0-159.7-111.0 132.4 7.4 -0.7 2.9 81 93 A Y E -BC 61 86A 16 -20,-2.8 -20,-2.1 -2,-0.4 2,-0.6 -0.946 5.5-160.0-113.6 132.8 4.3 -2.8 4.1 82 94 A A E > S-BC 60 85A 9 3,-2.7 3,-2.2 -2,-0.5 -22,-0.2 -0.962 85.6 -23.4-112.7 112.4 4.2 -4.8 7.3 83 95 A D T 3 S- 0 0 85 -24,-2.8 -1,-0.2 -2,-0.6 -23,-0.1 0.903 130.1 -50.6 44.8 50.4 1.5 -7.4 7.0 84 96 A G T 3 S+ 0 0 47 -25,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.370 114.7 117.0 72.9 -2.7 -0.1 -5.2 4.3 85 97 A K E < -C 82 0A 118 -3,-2.2 -3,-2.7 4,-0.0 2,-0.4 -0.841 68.7-121.3 -96.8 126.4 -0.0 -2.0 6.4 86 98 A M E > -C 81 0A 8 -2,-0.5 4,-2.2 -5,-0.2 -5,-0.2 -0.482 15.4-159.8 -69.1 124.5 2.2 0.8 5.0 87 99 A V H > S+ 0 0 0 -7,-3.3 4,-2.7 -2,-0.4 5,-0.2 0.911 91.1 56.8 -64.9 -41.5 4.9 1.9 7.4 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.928 112.3 41.1 -59.9 -47.7 5.4 5.2 5.6 89 101 A E H > S+ 0 0 58 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.905 112.5 54.8 -66.3 -44.0 1.7 6.2 6.1 90 102 A A H X S+ 0 0 5 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.896 107.2 50.2 -59.9 -43.1 1.6 4.8 9.7 91 103 A L H <>S+ 0 0 0 -4,-2.7 5,-2.5 1,-0.2 6,-0.7 0.937 113.0 45.6 -58.8 -47.9 4.5 6.9 10.7 92 104 A V H ><5S+ 0 0 0 -4,-1.7 3,-1.6 -5,-0.2 -2,-0.2 0.899 109.2 55.9 -61.4 -46.2 2.9 10.1 9.3 93 105 A R H 3<5S+ 0 0 63 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.816 108.4 48.8 -60.7 -29.0 -0.5 9.2 10.9 94 106 A Q T 3<5S- 0 0 79 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.390 115.8-112.7 -92.8 9.6 1.2 9.1 14.3 95 107 A G T < 5S+ 0 0 0 -3,-1.6 32,-2.5 -4,-0.3 -3,-0.2 0.810 87.1 116.4 69.6 25.6 3.0 12.3 14.0 96 108 A L S - 0 0 150 -2,-1.1 3,-2.0 3,-0.4 -3,-0.0 -0.853 33.0-106.2 -97.9 143.0 9.8 14.4 -5.9 104 116 A K T 3 S+ 0 0 205 -2,-0.4 -1,-0.0 1,-0.3 0, 0.0 -0.289 106.8 28.1 -66.5 140.5 7.7 14.4 -9.1 105 117 A G T 3 S+ 0 0 40 -38,-0.1 -39,-0.3 -3,-0.0 -1,-0.3 0.302 117.3 60.3 89.3 -14.1 7.5 11.0 -10.6 106 118 A N S < S+ 0 0 10 -3,-2.0 -3,-0.4 -40,-0.2 -74,-0.1 -0.351 79.1 92.4-131.9 55.5 8.0 9.2 -7.3 107 119 A N > + 0 0 55 -5,-0.1 3,-1.8 1,-0.1 4,-0.3 0.036 32.3 132.7-140.0 38.6 5.0 10.5 -5.5 108 120 A T T 3 S+ 0 0 74 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.872 82.3 40.4 -60.4 -40.8 2.1 8.0 -6.1 109 121 A H T 3> S+ 0 0 36 1,-0.2 4,-2.1 2,-0.1 -1,-0.3 0.196 81.1 112.5 -95.9 18.8 1.1 8.0 -2.4 110 122 A E H <> S+ 0 0 51 -3,-1.8 4,-3.0 1,-0.2 5,-0.2 0.936 78.3 45.7 -58.0 -47.8 1.6 11.7 -1.7 111 123 A Q H > S+ 0 0 132 -3,-0.4 4,-2.2 -4,-0.3 -1,-0.2 0.900 110.3 53.0 -67.0 -39.6 -2.1 12.5 -1.1 112 124 A L H > S+ 0 0 72 -4,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.915 113.3 44.5 -54.1 -46.5 -2.7 9.5 1.1 113 125 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.898 110.2 54.6 -72.6 -36.4 0.3 10.6 3.3 114 126 A R H X S+ 0 0 98 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.892 107.2 51.3 -61.1 -35.3 -0.9 14.3 3.3 115 127 A K H X S+ 0 0 120 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.932 110.0 49.1 -69.7 -37.4 -4.2 13.2 4.5 116 128 A A H X S+ 0 0 1 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.876 110.3 51.5 -64.0 -44.3 -2.6 11.2 7.3 117 129 A E H X S+ 0 0 24 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.917 106.8 53.0 -63.4 -38.4 -0.4 14.2 8.2 118 130 A A H X S+ 0 0 37 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.919 110.3 49.1 -61.5 -40.9 -3.5 16.5 8.4 119 131 A Q H X S+ 0 0 72 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.905 111.0 48.3 -65.9 -42.6 -5.1 14.0 10.8 120 132 A A H <>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 4,-0.3 0.898 112.0 50.2 -64.5 -39.0 -2.0 13.8 13.0 121 133 A K H ><5S+ 0 0 100 -4,-2.6 3,-1.3 2,-0.2 -2,-0.2 0.920 108.0 52.5 -64.5 -37.8 -1.7 17.6 13.1 122 134 A K H 3<5S+ 0 0 170 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.900 112.5 46.5 -65.4 -32.4 -5.5 17.9 14.1 123 135 A E T 3<5S- 0 0 104 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.489 107.7-129.7 -88.7 -2.5 -4.8 15.5 16.9 124 136 A K T < 5 + 0 0 154 -3,-1.3 2,-0.5 -4,-0.3 -3,-0.2 0.871 43.0 179.7 54.5 40.0 -1.6 17.4 17.9 125 137 A L > < - 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