==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-JUN-07 2QDB . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR K.L.BARAN,J.L.SCHLESSMAN,B.E.GARCIA-MORENO . 125 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7037.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 28.0 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 . 4 3.2 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 . 9 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 21.6 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 . 2 2 0 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 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 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 6 A K 0 0 249 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 97.4 -1.6 -39.5 -21.9 2 7 A L - 0 0 35 58,-0.0 2,-0.4 103,-0.0 60,-0.1 -0.686 360.0-146.6 -91.9 140.5 1.1 -37.2 -20.6 3 8 A H - 0 0 126 -2,-0.3 58,-0.6 58,-0.3 2,-0.5 -0.859 5.0-138.6-111.1 137.4 4.6 -38.4 -19.7 4 9 A K E -A 60 0A 77 -2,-0.4 56,-0.2 56,-0.2 73,-0.1 -0.803 20.0-165.7 -94.4 129.5 6.9 -37.1 -17.0 5 10 A E E -A 59 0A 27 54,-2.8 54,-3.0 -2,-0.5 2,-0.1 -0.901 23.6-110.2-116.1 143.2 10.6 -36.9 -17.9 6 11 A P E +A 58 0A 106 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.385 41.9 170.3 -70.1 148.1 13.5 -36.5 -15.4 7 12 A A E -A 57 0A 12 50,-2.0 50,-0.7 15,-0.1 2,-0.4 -0.958 25.8-131.0-150.9 164.7 15.4 -33.2 -15.5 8 13 A T E -B 21 0A 94 13,-1.9 13,-3.1 -2,-0.3 2,-0.1 -0.983 24.1-118.8-127.7 133.2 18.0 -31.3 -13.5 9 14 A L E +B 20 0A 40 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.437 33.1 167.9 -68.4 140.6 17.8 -27.8 -12.2 10 15 A I E - 0 0 76 9,-2.6 2,-0.3 1,-0.3 10,-0.2 0.673 68.1 -9.1-116.8 -49.8 20.5 -25.5 -13.5 11 16 A K E -B 19 0A 122 8,-1.8 8,-3.2 0, 0.0 2,-0.3 -0.960 57.9-132.2-157.2 134.6 19.2 -22.1 -12.5 12 17 A A E +B 18 0A 13 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.693 27.0 174.8 -82.8 137.3 16.0 -20.7 -11.1 13 18 A I E - 0 0 75 4,-1.3 2,-0.3 1,-0.4 5,-0.2 0.781 49.0 -47.3-111.1 -57.4 15.0 -17.6 -13.1 14 19 A D E > S-B 17 0A 61 3,-2.9 3,-1.4 29,-0.1 -1,-0.4 -0.934 73.5 -53.0-162.6-172.0 11.6 -16.5 -11.8 15 20 A G T 3 S+ 0 0 2 25,-0.3 73,-0.1 -2,-0.3 -1,-0.0 0.844 132.3 12.1 -40.5 -51.5 8.0 -17.3 -10.8 16 21 A N T 3 S+ 0 0 10 1,-0.1 15,-2.1 20,-0.1 2,-0.4 0.047 118.0 73.5-121.5 27.2 7.2 -19.2 -14.1 17 22 A T E < +BC 14 30A 6 -3,-1.4 -3,-2.9 13,-0.2 -4,-1.3 -0.978 49.3 162.8-144.2 127.9 10.6 -19.6 -15.8 18 23 A V E -BC 12 29A 0 11,-2.0 11,-3.3 -2,-0.4 2,-0.5 -0.972 31.8-128.3-141.9 153.7 13.4 -21.9 -14.9 19 24 A K E +BC 11 28A 76 -8,-3.2 -9,-2.6 -2,-0.3 -8,-1.8 -0.916 35.8 173.8-106.1 128.3 16.6 -23.3 -16.6 20 25 A L E -BC 9 27A 0 7,-2.7 7,-2.9 -2,-0.5 2,-0.7 -0.789 38.9-117.2-129.1 170.7 17.0 -27.0 -16.5 21 26 A M E +BC 8 26A 82 -13,-3.1 -13,-1.9 -2,-0.3 2,-0.5 -0.949 43.2 174.2-108.9 106.8 19.2 -29.8 -17.9 22 27 A Y - 0 0 24 3,-3.5 -15,-0.1 -2,-0.7 3,-0.1 -0.973 60.7 -14.1-124.8 120.5 16.8 -31.8 -20.0 23 28 A K S S- 0 0 145 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.984 129.7 -46.2 52.4 69.0 18.0 -34.7 -22.2 24 29 A G S S+ 0 0 76 -3,-0.2 -1,-0.2 1,-0.1 -3,-0.0 0.738 126.4 88.8 48.8 29.6 21.7 -34.0 -22.1 25 30 A Q S S- 0 0 136 -3,-0.1 -3,-3.5 2,-0.0 2,-0.2 -0.976 75.6-119.8-157.4 140.3 21.0 -30.3 -22.8 26 31 A P E +C 21 0A 84 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.559 39.0 170.6 -78.1 141.5 20.3 -27.1 -20.9 27 32 A M E -C 20 0A 49 -7,-2.9 -7,-2.7 -2,-0.2 2,-0.3 -0.977 34.1-122.9-156.0 139.3 17.0 -25.4 -21.7 28 33 A V E -C 19 0A 42 -2,-0.3 45,-2.5 -9,-0.2 2,-0.4 -0.653 31.4-158.7 -81.0 134.9 14.8 -22.6 -20.4 29 34 A F E -Cd 18 73A 0 -11,-3.3 -11,-2.0 -2,-0.3 2,-0.6 -0.946 10.9-152.8-119.6 139.6 11.3 -23.7 -19.5 30 35 A R E -Cd 17 74A 58 43,-3.4 45,-1.5 -2,-0.4 2,-0.3 -0.953 29.3-119.8-110.8 118.7 8.2 -21.6 -19.2 31 36 A L E > - d 0 75A 3 -15,-2.1 3,-1.0 -2,-0.6 45,-0.2 -0.424 36.1-115.2 -61.4 118.5 5.7 -23.1 -16.7 32 37 A L T 3 S+ 0 0 8 43,-2.5 45,-0.1 -2,-0.3 -1,-0.1 -0.146 83.8 3.4 -57.5 145.9 2.5 -23.8 -18.6 33 38 A L T 3 S+ 0 0 9 65,-0.2 64,-1.0 1,-0.1 2,-0.4 0.680 97.2 114.7 52.2 30.8 -0.8 -22.0 -17.9 34 39 A V E < -H 96 0B 3 -3,-1.0 2,-0.4 62,-0.3 62,-0.2 -0.975 42.4-169.1-132.8 122.2 0.5 -19.6 -15.2 35 40 A D E -H 95 0B 76 60,-3.1 60,-2.1 -2,-0.4 -3,-0.0 -0.856 12.0-149.3-108.0 144.5 0.7 -15.9 -15.6 36 41 A I 0 0 44 -2,-0.4 58,-0.1 1,-0.2 -20,-0.1 -0.890 360.0 360.0-116.1 100.6 2.6 -13.6 -13.2 37 42 A P 0 0 129 0, 0.0 -1,-0.2 0, 0.0 57,-0.0 0.924 360.0 360.0 -40.6 360.0 0.9 -10.1 -13.0 38 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 39 54 A Y > 0 0 106 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 10.6 4.1 -10.5 -5.9 40 55 A G H > + 0 0 35 1,-0.2 4,-2.8 2,-0.2 -25,-0.3 0.968 360.0 44.8 -58.3 -53.2 6.7 -11.0 -8.6 41 56 A P H > S+ 0 0 102 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.879 113.9 50.9 -58.5 -39.2 9.5 -11.4 -6.1 42 57 A E H > S+ 0 0 89 2,-0.2 4,-3.3 1,-0.2 -2,-0.2 0.946 110.9 46.6 -64.4 -48.8 7.3 -13.7 -4.0 43 58 A A H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 5,-0.3 0.946 114.1 49.8 -57.4 -48.3 6.4 -15.9 -6.9 44 59 A A H X S+ 0 0 26 -4,-2.8 4,-2.7 -5,-0.2 -1,-0.2 0.920 112.6 46.6 -55.5 -48.3 10.1 -16.0 -7.9 45 60 A A H X S+ 0 0 54 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.936 112.1 51.2 -61.1 -47.8 11.1 -16.9 -4.3 46 61 A F H X S+ 0 0 48 -4,-3.3 4,-2.4 2,-0.2 -2,-0.2 0.954 114.9 40.5 -54.7 -56.1 8.4 -19.5 -4.1 47 62 A T H X S+ 0 0 2 -4,-2.9 4,-2.3 1,-0.2 5,-0.3 0.918 113.9 54.8 -60.5 -44.0 9.4 -21.3 -7.3 48 63 A K H X S+ 0 0 96 -4,-2.7 4,-2.2 -5,-0.3 5,-0.3 0.922 110.3 46.1 -56.2 -46.1 13.1 -20.8 -6.6 49 64 A K H X S+ 0 0 138 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.927 110.7 53.3 -64.5 -44.7 12.7 -22.5 -3.2 50 65 A M H < S+ 0 0 43 -4,-2.4 4,-0.2 -5,-0.2 -2,-0.2 0.898 115.6 36.9 -58.9 -45.3 10.6 -25.4 -4.6 51 66 A V H >< S+ 0 0 4 -4,-2.3 3,-0.8 2,-0.2 -42,-0.2 0.907 116.1 50.4 -77.1 -42.3 13.1 -26.4 -7.4 52 67 A E H 3< S+ 0 0 94 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.848 113.8 45.8 -65.5 -33.0 16.4 -25.8 -5.5 53 68 A N T 3< S+ 0 0 104 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.482 92.5 109.1 -88.2 -2.7 15.2 -27.9 -2.5 54 69 A A < - 0 0 22 -3,-0.8 3,-0.1 -4,-0.2 -3,-0.1 -0.400 53.4-161.9 -75.3 150.7 13.9 -30.7 -4.7 55 70 A K S S+ 0 0 181 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.394 86.0 31.8-107.0 -4.9 15.6 -34.1 -4.8 56 71 A K - 0 0 89 -5,-0.1 24,-3.2 2,-0.0 2,-0.4 -0.906 66.5-169.6-155.9 124.4 13.8 -34.8 -8.1 57 72 A I E -AE 7 79A 13 -50,-0.7 -50,-2.0 -2,-0.3 2,-0.4 -0.946 9.7-167.5-116.1 135.5 12.6 -32.5 -10.9 58 73 A E E -AE 6 78A 48 20,-2.7 20,-3.2 -2,-0.4 2,-0.5 -0.977 12.9-151.0-131.2 140.8 10.3 -33.6 -13.7 59 74 A V E -AE 5 77A 0 -54,-3.0 -54,-2.8 -2,-0.4 2,-0.5 -0.917 12.8-173.5-106.9 125.3 9.3 -32.0 -17.0 60 75 A Q E -AE 4 76A 13 16,-2.6 16,-2.7 -2,-0.5 -56,-0.2 -0.911 9.1-156.5-125.4 104.3 5.9 -32.9 -18.3 61 76 A F E - E 0 75A 22 -58,-0.6 -58,-0.3 -2,-0.5 14,-0.2 -0.431 14.0-136.2 -73.7 150.9 5.1 -31.6 -21.8 62 77 A D - 0 0 0 12,-0.6 41,-0.1 3,-0.2 -1,-0.1 -0.144 30.3 -91.7 -92.8-163.3 1.4 -31.2 -22.7 63 78 A K S S+ 0 0 120 39,-0.3 40,-0.2 -2,-0.1 3,-0.1 0.570 100.7 63.9 -90.2 -9.7 -0.3 -32.3 -25.9 64 79 A G S S- 0 0 15 1,-0.3 38,-0.2 36,-0.1 37,-0.1 0.027 107.2 -28.8 -94.9-155.0 0.1 -29.0 -27.8 65 80 A Q - 0 0 98 36,-1.1 -1,-0.3 1,-0.1 -3,-0.2 -0.371 53.2-153.0 -61.7 134.4 3.1 -27.1 -29.1 66 81 A R S S+ 0 0 123 -3,-0.1 8,-3.3 1,-0.1 2,-0.3 0.544 72.0 39.6 -89.2 -11.5 6.1 -27.8 -26.8 67 82 A T B S-F 73 0A 73 6,-0.3 6,-0.2 -38,-0.1 -1,-0.1 -0.997 73.5-135.2-139.2 144.1 8.1 -24.6 -27.3 68 83 A D > - 0 0 19 4,-2.1 3,-2.4 -2,-0.3 -2,-0.0 -0.284 42.7 -84.9 -89.0-179.7 7.1 -21.0 -27.5 69 84 A K T 3 S+ 0 0 171 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.807 129.4 54.8 -54.7 -32.4 8.3 -18.3 -30.0 70 85 A Y T 3 S- 0 0 166 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.287 121.2-107.8 -86.1 10.7 11.3 -17.6 -27.8 71 86 A G < + 0 0 46 -3,-2.4 2,-0.4 1,-0.2 -43,-0.2 0.627 69.2 147.1 75.8 14.4 12.3 -21.2 -27.8 72 87 A R - 0 0 57 -45,-0.1 -4,-2.1 1,-0.1 -43,-0.2 -0.669 54.3-112.5 -87.1 136.1 11.3 -22.0 -24.2 73 88 A G E -dF 29 67A 0 -45,-2.5 -43,-3.4 -2,-0.4 2,-0.7 -0.452 26.4-142.2 -63.7 132.9 10.0 -25.4 -23.4 74 89 A L E +d 30 0A 8 -8,-3.3 -12,-0.6 -45,-0.2 2,-0.3 -0.880 45.8 127.2-101.2 109.3 6.3 -25.2 -22.5 75 90 A A E -dE 31 61A 0 -45,-1.5 -43,-2.5 -2,-0.7 2,-0.5 -0.958 63.2 -99.2-156.4 173.9 5.6 -27.6 -19.6 76 91 A Y E - E 0 60A 0 -16,-2.7 -16,-2.6 -2,-0.3 2,-0.5 -0.853 41.9-149.1 -95.4 127.3 4.3 -28.7 -16.2 77 92 A I E - E 0 59A 2 -2,-0.5 7,-3.0 -18,-0.2 8,-0.6 -0.901 7.8-158.3-106.3 129.4 7.2 -28.8 -13.8 78 93 A Y E -GE 83 58A 16 -20,-3.2 -20,-2.7 -2,-0.5 2,-0.6 -0.916 6.4-166.6-111.5 128.8 7.2 -31.3 -10.9 79 94 A A E > S-GE 82 57A 4 3,-3.3 3,-2.7 -2,-0.5 -22,-0.2 -0.961 82.6 -22.9-113.1 116.7 9.3 -30.9 -7.8 80 95 A D T 3 S- 0 0 57 -24,-3.2 -1,-0.2 -2,-0.6 -23,-0.1 0.841 129.6 -50.5 50.0 37.5 9.4 -34.1 -5.7 81 96 A G T 3 S+ 0 0 32 -25,-0.3 2,-0.5 1,-0.3 -1,-0.3 0.384 116.3 114.9 86.7 -5.9 6.2 -35.1 -7.4 82 97 A K E < -G 79 0A 139 -3,-2.7 -3,-3.3 4,-0.0 2,-0.5 -0.862 69.2-122.7-102.2 131.8 4.4 -31.9 -6.7 83 98 A M E > -G 78 0A 19 -2,-0.5 4,-2.0 -5,-0.3 -5,-0.3 -0.599 14.7-159.9 -75.8 119.1 3.4 -29.7 -9.7 84 99 A V H > S+ 0 0 1 -7,-3.0 4,-2.6 -2,-0.5 5,-0.3 0.875 88.7 62.0 -64.2 -38.0 5.0 -26.2 -9.3 85 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.948 110.7 38.2 -53.6 -52.3 2.4 -24.7 -11.8 86 101 A E H > S+ 0 0 53 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.881 111.9 57.2 -68.1 -40.9 -0.5 -25.6 -9.5 87 102 A A H X S+ 0 0 23 -4,-2.0 4,-2.4 2,-0.2 6,-0.2 0.921 106.9 49.8 -57.2 -47.1 1.3 -24.8 -6.2 88 103 A L H <>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 6,-0.4 0.961 114.8 44.2 -55.9 -52.6 2.0 -21.3 -7.4 89 104 A V H ><5S+ 0 0 0 -4,-1.8 3,-1.5 -5,-0.3 5,-0.3 0.912 113.4 49.8 -59.5 -45.6 -1.7 -20.9 -8.4 90 105 A R H 3<5S+ 0 0 75 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.848 108.2 53.4 -63.2 -34.5 -3.0 -22.5 -5.2 91 106 A Q T 3<5S- 0 0 88 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.444 115.8-119.8 -79.2 -0.1 -0.7 -20.2 -3.1 92 107 A G T < 5S+ 0 0 0 -3,-1.5 32,-1.7 -4,-0.2 33,-0.2 0.744 80.3 124.0 68.4 22.4 -2.3 -17.3 -4.9 93 108 A L S -I 103 0C 89 3,-0.6 3,-2.1 1,-0.1 -35,-0.1 -0.968 61.2 -33.3-125.1 118.6 -1.9 -21.9 -25.6 101 116 A K T 3 S- 0 0 118 -2,-0.5 -36,-1.1 1,-0.3 -1,-0.1 0.813 122.6 -45.2 43.7 45.2 -1.9 -23.9 -28.8 102 117 A G T 3 S+ 0 0 31 -38,-0.2 2,-1.7 1,-0.2 -39,-0.3 0.493 97.9 133.8 84.9 1.9 -3.8 -26.9 -27.3 103 118 A N B < +I 100 0C 0 -3,-2.1 -3,-0.6 1,-0.2 -1,-0.2 -0.626 29.5 116.9 -87.5 82.8 -1.9 -27.1 -24.1 104 119 A N > + 0 0 57 -2,-1.7 3,-1.6 -5,-0.1 4,-0.5 0.296 21.9 116.9-131.4 7.6 -4.9 -27.4 -21.8 105 120 A T T 3 S+ 0 0 65 1,-0.3 4,-0.2 -3,-0.3 3,-0.2 0.868 91.6 30.2 -48.0 -44.5 -4.7 -30.8 -20.1 106 121 A H T 3> S+ 0 0 37 1,-0.2 4,-2.6 2,-0.1 -1,-0.3 0.309 88.9 107.0-100.2 8.6 -4.4 -29.4 -16.6 107 122 A E H <> S+ 0 0 42 -3,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.933 82.2 44.5 -50.3 -56.1 -6.3 -26.2 -17.2 108 123 A Q H > S+ 0 0 115 -4,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.914 112.0 53.8 -56.5 -45.3 -9.4 -27.2 -15.2 109 124 A H H > S+ 0 0 89 -4,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.914 111.8 44.0 -56.1 -47.0 -7.2 -28.6 -12.4 110 125 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.844 107.1 61.0 -69.7 -32.4 -5.4 -25.2 -12.1 111 126 A R H X S+ 0 0 85 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.879 105.1 47.6 -61.5 -39.3 -8.7 -23.3 -12.3 112 127 A K H X S+ 0 0 128 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.914 110.7 51.4 -67.6 -42.5 -10.0 -25.0 -9.1 113 128 A A H X S+ 0 0 7 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.929 112.6 47.1 -58.0 -45.0 -6.7 -24.2 -7.4 114 129 A E H X S+ 0 0 21 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.860 109.4 53.2 -65.0 -39.1 -7.1 -20.6 -8.4 115 130 A A H X S+ 0 0 48 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.942 110.5 46.6 -63.8 -46.7 -10.7 -20.5 -7.3 116 131 A Q H X S+ 0 0 66 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.918 111.5 52.2 -61.5 -42.0 -9.8 -21.8 -3.8 117 132 A A H <>S+ 0 0 0 -4,-2.2 5,-2.3 1,-0.2 -1,-0.2 0.909 111.9 45.7 -59.5 -43.9 -6.9 -19.3 -3.6 118 133 A K H ><5S+ 0 0 98 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.848 109.1 55.7 -68.2 -34.2 -9.3 -16.4 -4.6 119 134 A K H 3<5S+ 0 0 154 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.836 109.9 46.5 -67.0 -30.7 -11.8 -17.8 -2.1 120 135 A E T 3<5S- 0 0 85 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.371 107.5-129.1 -90.6 3.1 -9.1 -17.5 0.6 121 136 A K T < 5 - 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