==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-JUN-11 3SK6 . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.C.ROBINSON,J.L.SCHLESSMAN,B.GARCIA-MORENO E. . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7806.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 69.8 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 . 28 21.7 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 . 1 0.8 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-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 . 12 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 10.9 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 1 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 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 76 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 161.0 2.6 -16.7 -28.1 2 8 A H - 0 0 154 62,-0.4 62,-0.6 63,-0.1 2,-0.3 -0.995 360.0-134.5-130.5 135.8 3.5 -20.2 -26.8 3 9 A K E -A 63 0A 91 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.662 25.4-170.0 -82.8 140.3 4.5 -21.4 -23.3 4 10 A E E -A 62 0A 42 58,-2.5 58,-2.8 -2,-0.3 2,-0.0 -0.941 25.4 -96.6-127.3 155.1 7.5 -23.8 -23.2 5 11 A P E +A 61 0A 103 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.322 43.8 160.1 -70.7 146.6 8.9 -25.9 -20.4 6 12 A A E -AB 60 21A 12 54,-1.8 54,-0.8 15,-0.1 2,-0.3 -0.957 23.9-142.7-147.8 170.8 11.7 -24.9 -18.0 7 13 A T E - B 0 20A 80 13,-1.4 13,-3.2 -2,-0.3 2,-0.3 -0.965 27.7-106.4-128.7 150.9 13.0 -25.9 -14.6 8 14 A L E - B 0 19A 47 -2,-0.3 2,-0.6 11,-0.2 11,-0.2 -0.549 26.1-148.2 -70.0 135.2 14.5 -23.8 -11.9 9 15 A I - 0 0 44 9,-2.6 9,-0.3 -2,-0.3 8,-0.1 -0.941 22.8-123.1-102.4 119.3 18.3 -24.2 -11.4 10 16 A K - 0 0 191 -2,-0.6 2,-0.4 6,-0.1 6,-0.1 -0.350 25.9-151.7 -59.4 139.2 19.3 -23.7 -7.8 11 17 A A > - 0 0 28 4,-0.5 3,-1.6 1,-0.1 -1,-0.0 -0.898 20.9-124.7-114.6 147.1 21.8 -21.0 -7.1 12 18 A I T 3 S+ 0 0 184 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.828 113.9 45.4 -51.9 -38.8 24.4 -20.7 -4.3 13 19 A D T 3 S- 0 0 127 2,-0.0 -1,-0.3 -3,-0.0 -3,-0.0 0.324 117.1-111.3 -96.3 5.3 23.1 -17.3 -3.3 14 20 A G < + 0 0 28 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.0 0.314 64.6 146.7 91.0 -10.7 19.4 -18.3 -3.4 15 21 A N - 0 0 59 1,-0.1 -4,-0.5 -5,-0.1 -1,-0.3 -0.197 38.2-153.5 -55.8 153.7 18.3 -16.3 -6.5 16 22 A T + 0 0 19 1,-0.1 -1,-0.1 -6,-0.1 -6,-0.1 -0.035 65.8 100.9-123.6 32.4 15.6 -17.8 -8.7 17 23 A K + 0 0 96 -9,-0.1 11,-3.0 -8,-0.1 2,-0.5 0.602 60.5 85.2 -96.2 -13.1 16.4 -16.1 -12.0 18 24 A K E + C 0 27A 83 -9,-0.3 -9,-2.6 9,-0.2 2,-0.3 -0.814 55.4 175.4 -97.3 122.7 18.3 -19.1 -13.7 19 25 A L E -BC 8 26A 5 7,-2.8 7,-2.1 -2,-0.5 2,-0.7 -0.885 34.5-120.0-122.0 153.6 16.2 -21.6 -15.5 20 26 A M E -BC 7 25A 79 -13,-3.2 -13,-1.4 -2,-0.3 2,-0.4 -0.873 37.2-178.8 -94.2 115.9 17.1 -24.6 -17.5 21 27 A Y E > -BC 6 24A 21 3,-2.9 3,-1.9 -2,-0.7 -15,-0.1 -0.986 68.7 -10.6-124.2 130.3 15.5 -24.1 -21.0 22 28 A K T 3 S- 0 0 158 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.873 131.9 -55.2 43.2 40.3 15.9 -26.6 -23.8 23 29 A G T 3 S+ 0 0 50 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.490 119.0 103.0 84.6 0.0 18.4 -28.4 -21.5 24 30 A Q E < S-C 21 0A 126 -3,-1.9 -3,-2.9 -5,-0.0 -1,-0.2 -0.923 74.9-110.2-121.9 144.3 20.7 -25.4 -21.1 25 31 A P E +C 20 0A 82 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.431 42.8 170.0 -70.0 135.8 21.1 -22.9 -18.2 26 32 A M E -C 19 0A 42 -7,-2.1 -7,-2.8 -2,-0.1 2,-0.5 -0.963 33.6-131.9-148.5 129.9 19.8 -19.4 -18.9 27 33 A V E -C 18 0A 54 -2,-0.3 49,-2.9 -9,-0.3 2,-0.4 -0.746 30.7-151.8 -74.9 126.9 19.3 -16.3 -16.8 28 34 A F E -d 76 0A 6 -11,-3.0 2,-0.5 -2,-0.5 49,-0.2 -0.861 9.6-158.8-101.0 141.1 15.8 -15.0 -17.5 29 35 A R E -d 77 0A 40 47,-3.5 49,-1.5 -2,-0.4 2,-0.3 -0.981 28.1-118.7-115.0 127.8 14.8 -11.4 -17.2 30 36 A E E > -d 78 0A 12 -2,-0.5 3,-0.9 47,-0.2 49,-0.2 -0.462 30.6-119.1 -70.3 128.2 11.1 -10.8 -16.9 31 37 A L T 3 S+ 0 0 11 47,-2.5 49,-0.1 -2,-0.3 -1,-0.1 -0.301 84.7 9.0 -62.7 147.0 9.6 -8.8 -19.7 32 38 A L T 3 S+ 0 0 2 69,-0.5 68,-2.0 74,-0.1 2,-0.3 0.436 102.0 102.8 71.0 10.1 7.9 -5.4 -19.1 33 39 A V E < -H 99 0B 0 -3,-0.9 2,-0.5 66,-0.3 66,-0.2 -0.905 54.4-152.9-125.2 154.0 8.7 -5.0 -15.4 34 40 A D E -H 98 0B 62 64,-2.7 64,-2.1 -2,-0.3 -3,-0.0 -0.992 24.3-164.6-116.2 116.3 11.2 -2.9 -13.2 35 41 A I - 0 0 25 -2,-0.5 62,-0.2 62,-0.2 8,-0.1 -0.923 24.4-112.1-107.5 128.0 11.8 -4.9 -10.0 36 42 A P - 0 0 16 0, 0.0 11,-0.1 0, 0.0 2,-0.1 -0.268 34.3-119.4 -56.0 135.5 13.4 -3.1 -7.0 37 43 A E > - 0 0 130 1,-0.1 3,-2.5 9,-0.0 6,-0.3 -0.388 33.5 -95.2 -72.8 164.7 16.9 -4.4 -6.2 38 50 A F T 3 S+ 0 0 151 1,-0.3 5,-0.1 5,-0.2 -1,-0.1 0.794 125.0 49.1 -51.6 -36.3 17.5 -6.0 -2.8 39 51 A N T 3 S+ 0 0 150 4,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.434 99.5 83.5 -87.3 -2.5 18.8 -2.7 -1.3 40 52 A E S X S- 0 0 98 -3,-2.5 3,-2.3 1,-0.1 0, 0.0 -0.629 98.5 -77.7 -93.5 163.2 15.9 -0.6 -2.6 41 53 A K T 3 S+ 0 0 153 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.326 121.2 11.9 -60.7 132.1 12.5 -0.3 -0.9 42 54 A Y T 3> S+ 0 0 32 -4,-0.1 4,-2.4 -3,-0.1 -1,-0.3 0.393 95.3 117.1 73.8 2.0 10.3 -3.4 -1.6 43 55 A G H <> S+ 0 0 1 -3,-2.3 4,-2.2 -6,-0.3 -5,-0.2 0.926 76.2 43.2 -61.0 -53.0 13.4 -5.2 -2.9 44 56 A P H > S+ 0 0 50 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.923 114.7 51.5 -63.1 -36.5 13.4 -7.9 -0.2 45 57 A E H > S+ 0 0 94 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.902 110.2 48.2 -65.6 -42.1 9.7 -8.3 -0.5 46 58 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.898 112.5 48.6 -66.0 -42.2 9.8 -8.8 -4.3 47 59 A A H X S+ 0 0 50 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.946 112.5 47.6 -64.0 -42.9 12.6 -11.3 -4.0 48 60 A A H X S+ 0 0 60 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.897 112.6 52.3 -64.4 -37.0 10.8 -13.3 -1.3 49 61 A F H X S+ 0 0 57 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.926 112.9 40.3 -66.0 -49.5 7.6 -13.2 -3.5 50 62 A T H X S+ 0 0 13 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.901 113.7 55.8 -68.7 -38.7 9.1 -14.5 -6.7 51 63 A K H X S+ 0 0 75 -4,-2.5 4,-2.7 -5,-0.3 5,-0.3 0.945 109.0 45.9 -61.3 -46.3 11.2 -17.1 -4.8 52 64 A K H X S+ 0 0 141 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.902 114.9 48.5 -62.3 -42.1 8.0 -18.5 -3.2 53 65 A M H < S+ 0 0 29 -4,-1.9 4,-0.4 2,-0.2 -2,-0.2 0.915 119.2 36.0 -63.2 -44.8 6.2 -18.5 -6.5 54 66 A V H >< S+ 0 0 7 -4,-3.0 3,-0.8 1,-0.2 -2,-0.2 0.928 117.3 49.7 -81.8 -41.7 9.0 -20.2 -8.5 55 67 A E H 3< S+ 0 0 91 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.787 114.3 45.7 -67.8 -31.4 10.3 -22.6 -5.9 56 68 A N T 3< S+ 0 0 101 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.524 88.5 112.7 -87.0 -7.7 6.8 -23.9 -5.0 57 69 A A < - 0 0 21 -3,-0.8 3,-0.2 -4,-0.4 -3,-0.0 -0.435 53.9-158.1 -68.4 138.7 5.7 -24.4 -8.7 58 70 A K S S+ 0 0 198 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.806 87.4 25.5 -75.5 -29.3 5.1 -27.9 -9.9 59 71 A K - 0 0 120 -52,-0.0 24,-3.0 2,-0.0 2,-0.4 -0.987 67.3-166.8-143.9 122.4 5.6 -26.6 -13.4 60 72 A I E -AE 6 82A 12 -54,-0.8 -54,-1.8 -2,-0.4 2,-0.3 -0.896 13.5-178.5-105.5 138.0 7.5 -23.5 -14.7 61 73 A E E -AE 5 81A 30 20,-2.1 20,-2.9 -2,-0.4 2,-0.4 -0.978 15.4-148.4-132.5 154.3 7.1 -22.3 -18.2 62 74 A V E -AE 4 80A 0 -58,-2.8 -58,-2.5 -2,-0.3 2,-0.5 -0.951 6.9-163.0-119.6 145.7 8.6 -19.5 -20.2 63 75 A E E -AE 3 79A 14 16,-2.2 16,-2.4 -2,-0.4 -60,-0.2 -0.950 8.8-152.2-131.9 107.9 6.8 -17.6 -22.9 64 76 A F E - E 0 78A 10 -62,-0.6 -62,-0.4 -2,-0.5 14,-0.2 -0.475 13.7-133.1 -75.7 153.3 8.8 -15.5 -25.4 65 77 A D - 0 0 4 12,-0.6 41,-0.2 3,-0.3 -1,-0.1 -0.078 33.8 -91.1 -88.4-165.5 7.3 -12.5 -27.1 66 78 A K S S+ 0 0 150 39,-1.0 40,-0.2 -2,-0.1 3,-0.1 0.629 103.3 49.3 -88.6 -12.7 7.5 -11.7 -30.8 67 79 A G S S- 0 0 31 1,-0.3 38,-0.1 38,-0.3 37,-0.0 0.309 105.9 -3.7-102.5-139.5 10.7 -9.6 -30.7 68 80 A Q - 0 0 123 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.3 -0.310 49.9-163.2 -61.7 135.8 14.1 -10.1 -29.3 69 81 A R S S+ 0 0 127 1,-0.2 8,-2.6 -3,-0.1 2,-0.3 0.602 73.6 31.9 -93.3 -19.5 14.6 -13.3 -27.2 70 82 A T B S-F 76 0A 70 6,-0.3 6,-0.2 -42,-0.1 -1,-0.2 -0.982 76.8-132.9-136.0 148.1 17.8 -12.4 -25.4 71 83 A D > - 0 0 24 4,-2.3 3,-1.8 -2,-0.3 -2,-0.1 -0.255 42.7 -85.1 -91.8-175.4 19.0 -9.0 -24.2 72 84 A K T 3 S+ 0 0 175 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.669 129.7 55.3 -64.3 -16.5 22.5 -7.5 -24.6 73 85 A Y T 3 S- 0 0 160 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.394 119.9-107.8 -93.5 0.8 23.6 -9.4 -21.4 74 86 A G S < S+ 0 0 48 -3,-1.8 -47,-0.2 1,-0.3 2,-0.2 0.558 71.3 145.3 80.3 10.3 22.5 -12.8 -22.8 75 87 A R - 0 0 76 -49,-0.1 -4,-2.3 1,-0.1 -1,-0.3 -0.576 55.3-113.7 -78.3 143.5 19.5 -13.0 -20.5 76 88 A G E -dF 28 70A 0 -49,-2.9 -47,-3.5 -6,-0.2 2,-0.7 -0.553 24.7-143.9 -72.1 132.4 16.3 -14.7 -21.9 77 89 A L E +d 29 0A 19 -8,-2.6 -12,-0.6 -2,-0.2 2,-0.3 -0.924 44.7 130.2-101.1 112.8 13.5 -12.1 -22.2 78 90 A A E -dE 30 64A 0 -49,-1.5 -47,-2.5 -2,-0.7 2,-0.5 -0.931 63.4-102.8-154.2 164.0 10.2 -13.9 -21.4 79 91 A Y E - E 0 63A 0 -16,-2.4 -16,-2.2 -2,-0.3 2,-0.5 -0.913 44.6-147.8 -91.2 125.6 6.9 -14.0 -19.5 80 92 A I E - E 0 62A 8 -2,-0.5 7,-3.2 -18,-0.2 8,-0.6 -0.857 12.2-163.3-105.9 132.8 7.5 -16.5 -16.7 81 93 A Y E -GE 86 61A 15 -20,-2.9 -20,-2.1 -2,-0.5 2,-0.5 -0.930 12.1-164.4-120.9 138.9 4.7 -18.8 -15.4 82 94 A A E > S-GE 85 60A 8 3,-3.0 3,-1.8 -2,-0.4 -22,-0.2 -0.968 85.8 -24.2-120.9 109.4 4.4 -20.8 -12.2 83 95 A D T 3 S- 0 0 78 -24,-3.0 -1,-0.1 -2,-0.5 -23,-0.1 0.903 129.6 -48.3 46.5 49.5 1.6 -23.3 -12.5 84 96 A G T 3 S+ 0 0 41 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.377 116.0 116.4 81.2 -2.9 -0.1 -21.2 -15.1 85 97 A K E < -G 82 0A 119 -3,-1.8 -3,-3.0 -32,-0.1 2,-0.4 -0.887 66.5-126.8-104.3 124.5 0.2 -18.0 -13.1 86 98 A M E > -G 81 0A 6 -2,-0.5 4,-2.2 -5,-0.2 -5,-0.3 -0.534 10.8-157.8 -75.6 125.9 2.4 -15.3 -14.7 87 99 A V H > S+ 0 0 1 -7,-3.2 4,-2.8 -2,-0.4 5,-0.3 0.888 92.6 56.6 -62.0 -47.9 5.2 -14.0 -12.3 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.940 114.0 40.1 -51.9 -46.8 5.6 -10.7 -14.3 89 101 A E H > S+ 0 0 64 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.870 112.7 53.9 -70.6 -44.0 1.8 -9.9 -13.7 90 102 A A H X S+ 0 0 8 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.904 108.1 50.1 -63.4 -41.1 1.7 -11.2 -10.1 91 103 A L H <>S+ 0 0 0 -4,-2.8 5,-2.7 2,-0.2 6,-0.6 0.943 114.3 45.4 -57.2 -48.9 4.6 -8.9 -9.1 92 104 A V H ><5S+ 0 0 0 -4,-1.7 3,-1.9 -5,-0.3 -2,-0.2 0.932 109.9 53.4 -62.6 -45.1 2.9 -5.9 -10.7 93 105 A R H 3<5S+ 0 0 66 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.786 109.8 49.3 -60.9 -28.0 -0.6 -6.8 -9.2 94 106 A Q T 3<5S- 0 0 72 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.329 116.5-112.4 -94.3 4.3 1.0 -6.9 -5.7 95 107 A G T < 5S+ 0 0 0 -3,-1.9 32,-2.8 2,-0.2 -3,-0.2 0.831 85.3 120.4 72.0 30.3 2.8 -3.6 -6.1 96 108 A L S - 0 0 129 -2,-1.1 3,-0.7 3,-0.5 -36,-0.1 -0.797 37.8 -89.5-101.5 154.4 10.1 -2.0 -26.2 104 116 A K T 3 S+ 0 0 163 -2,-0.3 2,-0.8 1,-0.2 -1,-0.1 -0.190 109.6 18.5 -62.0 145.6 8.5 -2.6 -29.7 105 117 A G T 3 S+ 0 0 35 -38,-0.1 -39,-1.0 1,-0.1 2,-0.7 -0.199 116.4 68.9 86.7 -45.6 7.8 -6.2 -30.6 106 118 A N S < S+ 0 0 10 -2,-0.8 -3,-0.5 -3,-0.7 -74,-0.1 -0.480 72.1 92.4-103.8 62.5 8.0 -7.4 -27.0 107 119 A N > + 0 0 67 -2,-0.7 3,-1.9 -5,-0.1 4,-0.4 0.153 36.7 123.8-135.9 17.7 4.8 -5.7 -25.7 108 120 A T T 3 S+ 0 0 53 -3,-0.3 3,-0.3 1,-0.3 4,-0.2 0.856 84.5 37.0 -53.1 -40.3 2.1 -8.3 -26.1 109 121 A H T 3> S+ 0 0 36 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.146 84.4 110.3-100.5 20.9 1.1 -8.3 -22.4 110 122 A E H <> S+ 0 0 34 -3,-1.9 4,-2.7 2,-0.2 5,-0.2 0.931 79.5 44.7 -62.5 -47.9 1.6 -4.6 -21.8 111 123 A Q H > S+ 0 0 133 -4,-0.4 4,-2.2 -3,-0.3 -1,-0.2 0.905 111.9 53.9 -71.6 -34.2 -2.0 -3.7 -21.3 112 124 A L H > S+ 0 0 74 -4,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.913 112.9 44.0 -57.6 -46.5 -2.6 -6.7 -19.1 113 125 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.870 110.1 54.1 -71.5 -37.5 0.2 -5.6 -16.8 114 126 A R H X S+ 0 0 95 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.897 106.5 53.1 -63.7 -35.3 -0.8 -2.0 -16.8 115 127 A K H X S+ 0 0 146 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.940 107.9 51.1 -61.6 -44.0 -4.3 -3.0 -15.6 116 128 A A H X S+ 0 0 6 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.898 110.4 49.4 -59.0 -39.5 -2.6 -5.0 -12.7 117 129 A E H X S+ 0 0 25 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.891 107.2 53.9 -70.2 -42.3 -0.6 -1.9 -11.8 118 130 A A H X S+ 0 0 40 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.897 111.7 45.2 -56.6 -39.2 -3.6 0.3 -11.8 119 131 A Q H X S+ 0 0 66 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.914 111.5 51.5 -76.5 -35.5 -5.4 -2.1 -9.4 120 132 A A H <>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 -2,-0.2 0.921 112.9 46.8 -60.8 -42.5 -2.3 -2.4 -7.2 121 133 A K H ><5S+ 0 0 94 -4,-2.8 3,-1.2 1,-0.2 -1,-0.2 0.892 109.7 52.3 -66.1 -44.4 -2.1 1.5 -7.0 122 134 A K H 3<5S+ 0 0 151 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.879 111.9 47.6 -55.7 -38.5 -5.8 1.8 -6.3 123 135 A E T 3<5S- 0 0 90 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.395 108.9-127.5 -87.5 2.1 -5.3 -0.7 -3.4 124 136 A K T < 5 + 0 0 130 -3,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.822 45.7 175.4 57.5 35.0 -2.3 1.2 -2.1 125 137 A L > < - 0 0 42 -5,-2.3 3,-2.8 3,-0.2 -1,-0.2 -0.567 46.1 -57.5 -78.8 132.3 -0.3 -2.0 -2.2 126 138 A N G > S+ 0 0 53 -2,-0.3 3,-2.1 1,-0.3 -30,-0.2 -0.147 133.8 28.0 51.3-112.2 3.5 -2.0 -1.4 127 139 A I G 3 S+ 0 0 41 -32,-2.8 -1,-0.3 1,-0.3 -31,-0.1 0.856 127.8 50.0 -48.9 -34.0 5.3 0.3 -3.8 128 140 A W G < 0 0 54 -3,-2.8 -1,-0.3 -33,-0.1 -2,-0.2 0.448 360.0 360.0 -90.4 2.8 2.1 2.3 -4.0 129 141 A S < 0 0 91 -3,-2.1 -4,-0.1 -34,-0.2 -5,-0.1 -0.321 360.0 360.0 -77.5 360.0 1.5 2.6 -0.2