==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-JUL-08 3DMU . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR V.S.KHANGULOV,J.L.SCHLESSMAN,E.B.GARCIA-MORENO,M.BENNING, . 126 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7086.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 86 68.3 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 27.8 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 . 6 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 22.2 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 . 2 2 1 0 2 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 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 7 A L 0 0 103 0, 0.0 2,-0.4 0, 0.0 62,-0.1 0.000 360.0 360.0 360.0 153.7 13.1 23.2 38.5 2 8 A H - 0 0 123 60,-0.3 60,-0.5 61,-0.1 2,-0.4 -0.971 360.0-129.9-128.7 139.3 14.4 19.9 37.2 3 9 A K - 0 0 87 -2,-0.4 58,-0.2 58,-0.2 75,-0.1 -0.701 24.7-167.9 -83.9 136.0 13.0 17.3 34.6 4 10 A E E -A 60 0A 26 56,-2.6 56,-2.6 -2,-0.4 2,-0.1 -0.934 25.2-104.6-120.5 147.1 13.0 13.7 35.7 5 11 A P E +A 59 0A 108 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.350 42.0 166.1 -68.4 150.8 12.4 10.7 33.5 6 12 A A E -A 58 0A 15 52,-1.7 52,-0.8 15,-0.1 2,-0.4 -0.952 26.4-132.2-152.3 169.1 9.1 8.8 33.4 7 13 A T E -B 20 0A 97 13,-1.8 13,-2.5 -2,-0.3 2,-0.2 -0.984 28.0-111.3-125.5 135.9 7.4 6.2 31.2 8 14 A L E +B 19 0A 43 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.427 37.9 164.0 -64.7 133.2 3.9 6.3 29.9 9 15 A I E - 0 0 78 9,-2.5 2,-0.3 1,-0.2 10,-0.2 0.702 67.0 -16.1-103.2 -59.0 1.5 3.8 31.3 10 16 A K E -B 18 0A 127 8,-2.0 8,-3.4 42,-0.0 2,-0.3 -0.955 48.4-131.0-154.7 133.7 -1.8 5.3 30.3 11 17 A A E +B 17 0A 18 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.620 29.9 175.5 -70.9 130.6 -3.5 8.4 29.1 12 18 A I E - 0 0 83 4,-1.7 2,-0.3 1,-0.5 5,-0.2 0.783 55.6 -30.0-108.0 -39.4 -6.5 9.0 31.4 13 19 A D E > S-B 16 0A 33 3,-1.8 3,-0.6 32,-0.1 -1,-0.5 -0.933 75.4 -76.9-168.5 173.2 -8.1 12.3 30.4 14 20 A G T 3 S+ 0 0 0 22,-0.3 75,-0.1 -2,-0.3 23,-0.1 0.825 131.3 31.3 -57.5 -30.0 -7.0 15.7 29.0 15 21 A D T 3 S+ 0 0 23 21,-0.1 15,-2.4 20,-0.1 2,-0.3 0.442 115.5 57.9-116.4 2.9 -5.7 16.7 32.4 16 22 A T E < +BC 13 29A 9 -3,-0.6 -3,-1.8 13,-0.2 -4,-1.7 -0.988 52.0 174.8-137.4 143.6 -4.5 13.4 33.9 17 23 A V E -BC 11 28A 0 11,-2.0 11,-2.7 -2,-0.3 2,-0.6 -0.999 26.0-131.5-147.4 145.6 -2.0 10.7 32.9 18 24 A K E +BC 10 27A 65 -8,-3.4 -9,-2.5 -2,-0.3 -8,-2.0 -0.884 34.6 172.5-103.3 127.5 -0.6 7.5 34.5 19 25 A L E -BC 8 26A 0 7,-2.6 7,-2.6 -2,-0.6 2,-0.6 -0.919 39.5-119.0-126.8 152.5 3.2 7.2 34.4 20 26 A M E +BC 7 25A 59 -13,-2.5 -13,-1.8 -2,-0.3 2,-0.4 -0.863 42.9 178.1 -83.4 123.2 5.8 4.9 35.9 21 27 A Y E > - C 0 24A 18 3,-3.2 3,-1.6 -2,-0.6 -15,-0.1 -0.996 66.6 -5.4-138.0 123.4 7.8 7.4 37.9 22 28 A K T 3 S- 0 0 162 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.880 132.2 -58.6 53.4 42.0 10.8 6.2 40.0 23 29 A G T 3 S+ 0 0 61 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.634 120.5 97.6 61.1 18.0 9.8 2.7 39.0 24 30 A Q E < S-C 21 0A 139 -3,-1.6 -3,-3.2 -5,-0.0 2,-0.2 -0.995 78.7-108.7-126.2 149.4 6.3 2.9 40.4 25 31 A P E +C 20 0A 81 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.469 46.0 165.3 -67.2 134.5 3.0 3.7 38.8 26 32 A M E -C 19 0A 71 -7,-2.6 -7,-2.6 -2,-0.2 2,-0.4 -0.992 33.3-125.3-147.5 150.6 1.6 7.1 39.8 27 33 A T E -C 18 0A 37 45,-0.3 47,-2.8 -2,-0.3 2,-0.4 -0.851 24.6-157.7-101.1 140.7 -1.1 9.3 38.5 28 34 A F E -Cd 17 74A 0 -11,-2.7 -11,-2.0 -2,-0.4 2,-0.5 -0.929 8.2-154.7-120.1 136.5 -0.2 12.9 37.5 29 35 A R E -Cd 16 75A 32 45,-3.2 47,-1.6 -2,-0.4 2,-0.3 -0.931 32.7-113.4-104.6 129.4 -2.5 15.9 37.3 30 36 A L E > - d 0 76A 1 -15,-2.4 3,-1.1 -2,-0.5 47,-0.2 -0.488 33.0-116.5 -66.4 124.0 -1.2 18.6 34.9 31 37 A L T 3 S- 0 0 7 45,-2.4 47,-0.1 -2,-0.3 -1,-0.1 -0.267 84.9 -1.0 -56.8 138.3 -0.3 21.9 36.7 32 38 A L T 3 S+ 0 0 10 67,-0.2 66,-1.7 1,-0.1 2,-0.4 0.562 102.6 109.3 65.2 17.9 -2.2 25.1 35.9 33 39 A V E < -H 97 0B 1 -3,-1.1 2,-0.5 64,-0.3 64,-0.2 -0.971 46.5-163.7-126.0 142.2 -4.5 23.7 33.2 34 40 A D E -H 96 0B 75 62,-2.9 62,-2.5 -2,-0.4 -3,-0.0 -0.974 15.7-173.5-113.7 116.3 -8.3 23.0 33.2 35 41 A T - 0 0 19 -2,-0.5 60,-0.2 60,-0.2 2,-0.2 -0.693 29.0-101.4 -98.8 159.2 -9.4 20.8 30.3 36 42 A P 0 0 21 0, 0.0 -22,-0.3 0, 0.0 9,-0.1 -0.513 360.0 360.0 -78.0 149.2 -13.0 20.0 29.5 37 43 A E 0 0 130 -2,-0.2 -23,-0.1 -24,-0.1 -2,-0.1 0.673 360.0 360.0 125.3 360.0 -14.9 16.8 30.5 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 53 A K 0 0 165 0, 0.0 -2,-0.0 0, 0.0 86,-0.0 0.000 360.0 360.0 360.0 -29.1 -17.5 20.8 24.9 40 54 A Y > + 0 0 64 -5,-0.1 4,-3.1 84,-0.0 5,-0.2 0.408 360.0 123.7 76.9 4.0 -14.0 19.9 23.5 41 55 A G H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.951 75.3 43.0 -56.4 -55.1 -13.6 17.2 26.1 42 56 A P H > S+ 0 0 77 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.832 115.4 49.7 -59.1 -32.1 -13.0 14.4 23.6 43 57 A E H > S+ 0 0 94 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.916 111.0 49.4 -76.2 -43.2 -10.7 16.6 21.5 44 58 A A H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 5,-0.2 0.932 113.6 46.8 -59.5 -46.4 -8.7 17.6 24.6 45 59 A S H X S+ 0 0 25 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.886 111.9 49.4 -63.9 -39.0 -8.3 14.0 25.6 46 60 A A H X S+ 0 0 60 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.888 111.1 50.1 -70.7 -32.8 -7.4 12.8 22.2 47 61 A F H X S+ 0 0 48 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.962 112.3 46.2 -68.3 -53.7 -4.7 15.6 21.9 48 62 A K H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.939 113.3 52.1 -46.9 -53.2 -3.2 14.7 25.3 49 63 A K H X S+ 0 0 98 -4,-2.4 4,-2.6 -5,-0.2 5,-0.3 0.936 110.4 45.2 -53.3 -51.2 -3.3 11.0 24.3 50 64 A K H X S+ 0 0 135 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.921 111.2 54.4 -60.0 -43.7 -1.5 11.4 21.0 51 65 A M H X S+ 0 0 36 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.909 116.4 35.9 -59.3 -43.8 1.1 13.7 22.5 52 66 A V H < S+ 0 0 2 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.861 117.6 49.9 -79.2 -35.8 2.1 11.2 25.2 53 67 A E H < S+ 0 0 96 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.834 113.8 45.9 -74.1 -37.2 1.7 8.0 23.2 54 68 A N H < S+ 0 0 117 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.713 91.2 105.2 -77.7 -17.4 3.8 9.3 20.3 55 69 A A < - 0 0 18 -4,-0.6 3,-0.1 -5,-0.2 -47,-0.1 -0.337 54.5-161.1 -66.0 141.6 6.5 10.7 22.6 56 70 A K S S+ 0 0 181 1,-0.2 2,-0.4 -2,-0.0 -1,-0.1 0.762 84.9 32.2 -84.9 -27.1 9.8 8.8 22.8 57 71 A K - 0 0 144 -50,-0.1 24,-2.3 2,-0.0 2,-0.4 -0.997 67.6-170.8-131.2 125.2 10.8 10.5 26.0 58 72 A I E -AE 6 80A 11 -52,-0.8 -52,-1.7 -2,-0.4 2,-0.3 -0.953 11.2-172.2-113.2 142.0 8.3 11.7 28.7 59 73 A E E -AE 5 79A 52 20,-2.1 20,-2.8 -2,-0.4 2,-0.4 -0.979 14.6-146.6-133.6 152.9 9.6 13.8 31.6 60 74 A V E -AE 4 78A 0 -56,-2.6 -56,-2.6 -2,-0.3 2,-0.5 -0.935 11.2-171.7-116.3 134.0 8.0 15.1 34.8 61 75 A E E - E 0 77A 13 16,-2.4 16,-2.9 -2,-0.4 -58,-0.2 -0.933 10.4-154.2-130.7 106.1 8.9 18.4 36.3 62 76 A F E - E 0 76A 26 -2,-0.5 -60,-0.3 -60,-0.5 14,-0.2 -0.420 15.1-132.8 -66.9 150.9 7.6 19.2 39.8 63 77 A D - 0 0 0 12,-0.7 41,-0.1 3,-0.2 -1,-0.1 -0.252 29.7 -95.9 -93.0-167.4 7.1 22.9 40.7 64 78 A K S S+ 0 0 126 39,-0.3 40,-0.1 -2,-0.1 3,-0.1 0.478 100.8 69.5 -93.1 -4.6 8.3 24.6 43.9 65 79 A G S S- 0 0 15 1,-0.3 38,-0.2 36,-0.1 37,-0.1 -0.004 105.8 -31.0 -94.2-161.3 4.9 24.2 45.7 66 80 A Q - 0 0 95 36,-1.7 -1,-0.3 1,-0.1 -3,-0.2 -0.325 52.9-153.7 -58.2 138.2 2.9 21.2 47.0 67 81 A R S S+ 0 0 135 -3,-0.1 8,-2.9 1,-0.1 2,-0.3 0.566 70.5 39.9-101.8 -3.9 3.7 18.1 44.8 68 82 A T B S-F 74 0A 80 6,-0.3 6,-0.2 -40,-0.1 -1,-0.1 -0.990 70.9-136.5-142.5 144.1 0.5 16.1 45.3 69 83 A D > - 0 0 20 4,-2.1 3,-1.5 -2,-0.3 -2,-0.0 -0.279 43.6 -88.8 -88.5-176.0 -3.2 17.0 45.5 70 84 A K T 3 S+ 0 0 165 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.667 126.2 59.2 -70.8 -14.2 -5.7 15.5 47.9 71 85 A Y T 3 S- 0 0 160 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.295 120.4-106.2 -93.1 2.2 -6.4 12.6 45.5 72 86 A G S < S+ 0 0 49 -3,-1.5 2,-0.4 1,-0.3 -45,-0.3 0.629 71.3 147.3 84.6 11.9 -2.8 11.5 45.6 73 87 A R - 0 0 56 -47,-0.1 -4,-2.1 -45,-0.1 -1,-0.3 -0.689 52.9-116.8 -82.8 133.8 -2.1 12.8 42.1 74 88 A G E -dF 28 68A 1 -47,-2.8 -45,-3.2 -2,-0.4 2,-0.7 -0.441 24.6-141.5 -60.3 131.1 1.5 14.2 41.3 75 89 A L E +d 29 0A 9 -8,-2.9 -12,-0.7 -47,-0.2 2,-0.3 -0.883 46.3 130.9-102.7 110.0 1.2 17.9 40.4 76 90 A A E -dE 30 62A 0 -47,-1.6 -45,-2.4 -2,-0.7 2,-0.5 -0.942 62.6-104.1-149.3 163.1 3.6 18.5 37.6 77 91 A Y E - E 0 61A 0 -16,-2.9 -16,-2.4 -2,-0.3 2,-0.5 -0.865 41.2-151.8 -85.5 131.4 4.5 19.9 34.2 78 92 A I E - E 0 60A 0 -2,-0.5 7,-3.2 -18,-0.2 8,-0.6 -0.912 9.1-163.4-110.1 132.2 4.7 17.0 31.8 79 93 A Y E -GE 84 59A 14 -20,-2.8 -20,-2.1 -2,-0.5 2,-0.5 -0.915 8.9-163.6-113.7 142.4 7.0 17.1 28.7 80 94 A A E > S-GE 83 58A 6 3,-2.6 3,-2.4 -2,-0.4 -22,-0.2 -0.990 84.7 -17.6-120.8 122.0 6.9 14.9 25.6 81 95 A D T 3 S- 0 0 71 -24,-2.3 -1,-0.1 -2,-0.5 -23,-0.1 0.896 129.8 -54.5 48.8 43.6 10.1 15.1 23.6 82 96 A G T 3 S+ 0 0 39 -25,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.370 114.2 117.0 73.2 0.3 10.9 18.4 25.4 83 97 A K E < -G 80 0A 151 -3,-2.4 -3,-2.6 4,-0.0 2,-0.4 -0.861 70.0-119.6-101.6 131.4 7.6 20.0 24.6 84 98 A M E > -G 79 0A 10 -2,-0.5 4,-2.4 -5,-0.2 -5,-0.3 -0.448 15.3-158.9 -74.5 122.8 5.4 20.9 27.5 85 99 A V H > S+ 0 0 0 -7,-3.2 4,-2.5 -2,-0.4 5,-0.2 0.889 92.5 56.5 -62.2 -41.6 2.0 19.1 27.3 86 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.951 111.7 42.4 -57.9 -50.5 0.5 21.7 29.7 87 101 A E H > S+ 0 0 67 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.924 111.1 55.6 -59.9 -43.4 1.5 24.5 27.4 88 102 A A H X S+ 0 0 25 -4,-2.4 4,-1.8 1,-0.2 6,-0.2 0.883 106.7 50.2 -60.5 -45.9 0.5 22.6 24.2 89 103 A L H <>S+ 0 0 0 -4,-2.5 5,-2.8 2,-0.2 6,-0.6 0.925 114.5 43.5 -57.2 -45.7 -3.1 22.1 25.4 90 104 A V H ><5S+ 0 0 0 -4,-1.6 3,-2.1 4,-0.2 5,-0.3 0.942 112.3 52.3 -68.3 -47.9 -3.6 25.7 26.3 91 105 A R H 3<5S+ 0 0 90 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.812 108.0 53.3 -59.0 -30.8 -1.9 27.0 23.1 92 106 A Q T 3<5S- 0 0 81 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.392 116.2-114.8 -81.9 3.2 -4.3 24.7 21.1 93 107 A G T < 5S+ 0 0 0 -3,-2.1 32,-2.5 2,-0.2 -3,-0.2 0.781 87.7 115.7 60.8 30.0 -7.4 26.2 22.9 94 108 A L S -I 104 0C 86 3,-0.5 3,-2.0 1,-0.1 -35,-0.1 -0.980 61.3 -28.5-118.5 119.4 -2.5 26.0 43.6 102 116 A K T 3 S- 0 0 113 -2,-0.5 -36,-1.7 1,-0.3 -1,-0.1 0.738 121.4 -45.1 51.5 42.4 -0.3 26.0 46.6 103 117 A G T 3 S+ 0 0 38 -38,-0.2 2,-1.6 1,-0.2 -39,-0.3 0.370 98.5 130.6 86.0 -0.4 2.8 28.0 45.3 104 118 A N B < +I 101 0C 0 -3,-2.0 -3,-0.5 1,-0.2 -1,-0.2 -0.601 27.6 118.9 -86.4 79.6 3.0 26.1 42.0 105 119 A N > + 0 0 59 -2,-1.6 3,-1.9 -5,-0.1 4,-0.4 0.277 22.6 116.4-128.3 9.3 3.2 29.1 39.7 106 120 A T T 3 S+ 0 0 59 1,-0.3 3,-0.3 -3,-0.2 4,-0.2 0.865 89.4 31.4 -55.0 -43.3 6.5 28.9 37.9 107 121 A H T 3> S+ 0 0 35 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.175 86.3 110.5-103.0 18.3 5.0 28.6 34.4 108 122 A E H <> S+ 0 0 47 -3,-1.9 4,-2.5 1,-0.2 5,-0.2 0.914 80.4 45.4 -60.9 -45.1 1.9 30.7 35.0 109 123 A Q H > S+ 0 0 112 -4,-0.4 4,-2.0 -3,-0.3 -1,-0.2 0.941 111.2 53.7 -68.4 -42.0 2.9 33.6 32.8 110 124 A L H > S+ 0 0 65 -4,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.903 112.7 44.3 -49.4 -47.7 4.1 31.2 30.0 111 125 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.882 109.4 54.5 -72.0 -38.4 0.7 29.5 30.0 112 126 A R H X S+ 0 0 87 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.853 107.4 52.5 -61.8 -33.1 -1.2 32.8 30.2 113 127 A K H X S+ 0 0 142 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.930 110.1 47.4 -66.2 -50.3 0.6 33.9 27.1 114 128 A A H X S+ 0 0 7 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.885 112.5 50.0 -54.2 -43.0 -0.3 30.7 25.2 115 129 A E H X S+ 0 0 24 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.916 106.8 54.0 -68.8 -40.7 -4.0 31.1 26.3 116 130 A A H X S+ 0 0 58 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.890 110.3 48.7 -59.0 -41.5 -4.1 34.7 25.2 117 131 A Q H X S+ 0 0 59 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.909 109.9 48.9 -65.4 -50.7 -2.9 33.6 21.7 118 132 A A H <>S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 -1,-0.2 0.889 112.8 50.1 -50.9 -41.2 -5.4 30.8 21.4 119 133 A K H ><5S+ 0 0 128 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.907 107.8 51.6 -71.3 -41.7 -8.2 33.2 22.4 120 134 A K H 3<5S+ 0 0 152 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.803 111.0 50.3 -62.4 -32.8 -7.1 35.8 19.9 121 135 A E T 3<5S- 0 0 84 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.316 105.8-130.1 -82.7 4.3 -7.2 32.9 17.3 122 136 A K T < 5 + 0 0 150 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.880 46.9 176.6 43.2 45.3 -10.8 31.9 18.4 123 137 A L > < - 0 0 43 -5,-2.5 3,-2.6 3,-0.2 -1,-0.2 -0.660 44.4 -54.1 -91.4 130.6 -9.3 28.4 18.5 124 138 A N G > S+ 0 0 44 -2,-0.4 3,-3.3 1,-0.3 -30,-0.2 -0.183 136.3 23.8 47.5-112.7 -11.4 25.4 19.8 125 139 A I G 3 S+ 0 0 37 -32,-2.5 -1,-0.3 1,-0.3 -31,-0.1 0.778 126.2 55.4 -53.1 -25.6 -12.8 26.3 23.2 126 140 A W G < 0 0 65 -3,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.317 360.0 360.0 -90.8 9.1 -12.4 29.9 22.2 127 141 A S < 0 0 104 -3,-3.3 -1,-0.2 -34,-0.2 -2,-0.2 0.505 360.0 360.0 -94.6 360.0 -14.5 29.5 19.1