==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-JAN-08 3C1F . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR V.S.KHANGULOV,J.L.SCHLESSMAN,E.B.GARCIA-MORENO . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7335.0 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 . 9 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 8.5 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 1 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 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 89 0, 0.0 2,-0.3 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 126.7 1.9 -0.8 -8.1 2 8 A H - 0 0 113 62,-0.2 62,-0.4 63,-0.1 2,-0.3 -0.915 360.0-114.3-130.3 151.6 2.4 -4.2 -6.6 3 9 A K - 0 0 91 -2,-0.3 60,-0.2 60,-0.1 77,-0.1 -0.579 25.0-163.9 -83.2 140.4 3.8 -5.6 -3.3 4 10 A E E -A 62 0A 22 58,-3.4 58,-3.1 -2,-0.3 2,-0.1 -0.951 24.6-110.2-121.3 146.3 6.9 -7.8 -3.3 5 11 A P E +A 61 0A 106 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.384 41.5 160.8 -78.5 156.7 7.9 -10.0 -0.4 6 12 A A E -A 60 0A 10 54,-1.9 54,-0.8 15,-0.1 2,-0.4 -0.968 28.1-130.2-158.9 163.0 10.9 -9.3 1.8 7 13 A T E -B 20 0A 97 13,-1.7 13,-4.1 -2,-0.3 2,-0.1 -0.966 29.0-106.1-124.5 140.8 12.2 -10.2 5.2 8 14 A L E +B 19 0A 47 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.369 35.7 168.2 -55.7 126.2 13.5 -8.0 7.9 9 15 A I E - 0 0 78 9,-2.8 2,-0.3 1,-0.2 10,-0.2 0.687 69.0 -17.4 -92.6 -53.4 17.2 -8.1 8.4 10 16 A K E -B 18 0A 123 8,-2.6 8,-3.7 44,-0.0 2,-0.2 -0.965 53.3-123.7-158.3 131.6 17.5 -5.1 10.8 11 17 A A E +B 17 0A 18 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.563 32.3 173.2 -60.4 136.9 15.6 -2.0 12.1 12 18 A I - 0 0 65 4,-1.3 2,-0.2 1,-0.4 5,-0.2 0.719 48.8 -43.1-109.0 -73.4 17.7 1.0 11.5 13 19 A D S S- 0 0 20 3,-1.7 3,-0.5 33,-0.1 -1,-0.4 -0.716 77.1 -60.0-143.0-160.9 15.9 4.2 12.3 14 20 A G S S+ 0 0 0 22,-0.4 23,-0.1 1,-0.2 77,-0.1 0.811 131.7 17.9 -61.2 -28.6 12.5 5.9 11.8 15 21 A D S S+ 0 0 3 21,-0.1 15,-2.5 20,-0.1 2,-0.3 0.236 115.1 68.2-132.5 13.3 12.6 5.8 8.0 16 22 A T E + C 0 29A 11 -3,-0.5 -3,-1.7 13,-0.2 -4,-1.3 -0.980 49.8 172.3-132.2 149.8 15.3 3.2 7.1 17 23 A V E -BC 11 28A 1 11,-1.7 11,-3.7 -2,-0.3 2,-0.6 -0.973 30.5-127.5-157.5 134.2 15.2 -0.5 7.6 18 24 A K E +BC 10 27A 65 -8,-3.7 -9,-2.8 -2,-0.3 -8,-2.6 -0.857 39.6 177.8 -92.1 123.0 17.6 -3.2 6.3 19 25 A L E -BC 8 26A 0 7,-3.0 7,-3.4 -2,-0.6 2,-0.8 -0.893 36.3-118.2-129.3 157.9 15.6 -5.9 4.5 20 26 A M E -BC 7 25A 72 -13,-4.1 -13,-1.7 -2,-0.3 2,-0.5 -0.848 38.5-179.8 -91.7 108.8 16.2 -9.1 2.6 21 27 A Y E > - C 0 24A 16 3,-3.2 3,-1.7 -2,-0.8 -15,-0.1 -0.937 63.9 -24.2-123.3 118.4 15.0 -8.5 -0.9 22 28 A K T 3 S- 0 0 157 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.845 127.9 -49.1 52.6 37.9 15.1 -11.2 -3.7 23 29 A G T 3 S+ 0 0 49 1,-0.2 -1,-0.3 -3,-0.1 -17,-0.0 0.371 120.7 101.7 88.8 -5.4 18.0 -12.8 -1.8 24 30 A Q E < S-C 21 0A 123 -3,-1.7 -3,-3.2 2,-0.0 2,-0.4 -0.918 74.2-119.0-115.1 140.2 20.1 -9.7 -1.3 25 31 A P E +C 20 0A 80 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.626 42.2 175.0 -71.3 126.7 20.5 -7.5 1.8 26 32 A M E -C 19 0A 51 -7,-3.4 -7,-3.0 -2,-0.4 2,-0.5 -0.996 30.4-134.7-140.3 127.0 19.2 -4.0 1.0 27 33 A T E -C 18 0A 27 -2,-0.4 49,-2.3 47,-0.3 2,-0.4 -0.757 28.3-151.3 -77.1 124.6 18.8 -0.9 3.1 28 34 A F E -Cd 17 76A 0 -11,-3.7 -11,-1.7 -2,-0.5 2,-0.4 -0.857 9.6-158.2-103.3 135.6 15.4 0.6 2.4 29 35 A R E -Cd 16 77A 20 47,-3.1 49,-1.8 -2,-0.4 2,-0.4 -0.911 30.5-114.8-106.2 133.3 14.6 4.3 2.7 30 36 A L E > - d 0 78A 2 -15,-2.5 3,-1.3 -2,-0.4 49,-0.2 -0.549 29.2-117.8 -77.6 123.4 10.9 5.0 3.0 31 37 A L T 3 S+ 0 0 11 47,-2.4 49,-0.1 -2,-0.4 71,-0.1 -0.306 89.7 0.7 -55.6 134.5 9.3 7.0 0.2 32 38 A L T 3 S+ 0 0 3 69,-0.5 68,-1.2 1,-0.2 2,-0.3 0.532 105.6 114.0 73.0 11.9 7.8 10.4 1.0 33 39 A V E < -H 99 0B 0 -3,-1.3 2,-0.3 66,-0.2 66,-0.2 -0.870 41.2-175.3-119.6 144.9 8.8 10.3 4.7 34 40 A D E -H 98 0B 54 64,-1.5 64,-1.8 -2,-0.3 3,-0.0 -0.883 10.4-177.7-135.8 111.1 11.2 12.3 6.8 35 41 A T - 0 0 1 -2,-0.3 62,-0.2 62,-0.2 8,-0.1 -0.702 38.5 -93.9 -94.2 156.3 11.6 11.1 10.4 36 42 A P - 0 0 18 0, 0.0 -22,-0.4 0, 0.0 11,-0.1 -0.333 47.5 -98.4 -61.1 151.3 13.9 13.0 12.8 37 43 A E > - 0 0 89 1,-0.1 3,-2.4 -24,-0.1 6,-0.2 -0.311 43.2-101.0 -65.0 159.7 17.4 11.8 13.1 38 50 A F T 3 S+ 0 0 119 1,-0.3 -1,-0.1 5,-0.2 4,-0.1 0.769 123.3 48.7 -66.3 -25.0 17.8 9.5 16.2 39 51 A N T 3 S+ 0 0 143 4,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.235 97.6 83.9 -95.3 10.1 19.4 12.3 18.1 40 52 A E S X S- 0 0 106 -3,-2.4 3,-1.2 1,-0.1 2,-0.3 -0.440 100.7 -64.6 -95.6-179.0 16.8 15.0 17.3 41 53 A K T 3 S+ 0 0 147 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.1 -0.579 124.3 3.6 -67.9 125.5 13.5 15.6 19.1 42 54 A Y T 3> S+ 0 0 39 -2,-0.3 4,-2.0 -4,-0.1 -1,-0.2 0.414 95.7 119.3 72.4 3.4 11.2 12.5 18.6 43 55 A G H <> S+ 0 0 0 -3,-1.2 4,-2.7 -6,-0.2 -5,-0.2 0.935 76.2 45.5 -58.8 -49.8 13.9 10.6 16.7 44 56 A P H > S+ 0 0 46 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.856 111.7 52.6 -65.8 -35.2 14.0 7.8 19.2 45 57 A E H > S+ 0 0 92 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.875 111.0 48.2 -63.9 -36.3 10.2 7.6 19.2 46 58 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.955 112.4 46.7 -68.6 -49.0 10.4 7.3 15.4 47 59 A S H X S+ 0 0 17 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.894 114.7 48.4 -56.0 -45.3 13.1 4.6 15.4 48 60 A A H X S+ 0 0 55 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.882 110.7 51.3 -62.7 -44.6 11.1 2.7 18.1 49 61 A F H X S+ 0 0 59 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.945 114.2 40.7 -58.1 -53.5 7.8 3.0 16.2 50 62 A T H X S+ 0 0 1 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.865 115.2 54.0 -63.1 -39.6 9.2 1.7 12.9 51 63 A K H X S+ 0 0 93 -4,-2.0 4,-3.0 -5,-0.3 -1,-0.2 0.902 109.7 45.2 -63.1 -47.8 11.2 -1.0 14.7 52 64 A K H X S+ 0 0 140 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.886 114.5 49.7 -65.5 -40.3 8.2 -2.4 16.6 53 65 A M H X S+ 0 0 35 -4,-1.9 4,-1.0 -5,-0.2 -2,-0.2 0.917 117.3 38.5 -69.1 -44.7 6.1 -2.3 13.5 54 66 A V H < S+ 0 0 4 -4,-2.9 3,-0.2 1,-0.2 -2,-0.2 0.912 116.0 53.6 -73.2 -38.9 8.7 -4.2 11.3 55 67 A E H < S+ 0 0 94 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.845 111.5 43.8 -64.1 -35.9 9.7 -6.5 14.2 56 68 A N H < S+ 0 0 109 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.706 88.5 110.3 -80.4 -23.5 6.2 -7.7 14.9 57 69 A A < - 0 0 18 -4,-1.0 3,-0.2 -3,-0.2 -3,-0.0 -0.258 52.4-160.9 -59.0 132.4 5.1 -8.2 11.3 58 70 A K S S+ 0 0 201 1,-0.2 2,-0.5 24,-0.0 -1,-0.2 0.866 88.2 33.3 -73.1 -40.2 4.5 -11.8 10.1 59 71 A K - 0 0 120 -52,-0.1 24,-3.0 -54,-0.0 2,-0.5 -0.966 65.6-170.0-125.4 125.1 4.9 -10.3 6.5 60 72 A I E -AE 6 82A 11 -54,-0.8 -54,-1.9 -2,-0.5 2,-0.4 -0.932 15.1-169.1-103.6 126.3 7.0 -7.4 5.3 61 73 A E E -AE 5 81A 27 20,-2.1 20,-2.4 -2,-0.5 2,-0.4 -0.969 13.0-147.4-120.4 141.7 6.3 -6.3 1.8 62 74 A V E -AE 4 80A 0 -58,-3.1 -58,-3.4 -2,-0.4 2,-0.4 -0.850 12.4-171.4-100.4 135.2 8.2 -3.9 -0.4 63 75 A E E - E 0 79A 9 16,-1.9 16,-2.3 -2,-0.4 -60,-0.1 -0.882 7.2-158.0-132.9 100.4 6.3 -1.7 -2.9 64 76 A F E - E 0 78A 14 -62,-0.4 -62,-0.2 -2,-0.4 14,-0.2 -0.399 14.1-134.2 -68.3 149.1 8.4 0.3 -5.5 65 77 A D - 0 0 4 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.179 35.0 -90.4 -85.4-168.1 6.8 3.4 -7.1 66 78 A K S S+ 0 0 177 39,-0.4 40,-0.2 -2,-0.1 3,-0.1 0.501 104.7 57.4 -86.2 -7.0 6.9 4.2 -10.9 67 79 A G S S- 0 0 28 38,-0.4 39,-0.1 1,-0.3 38,-0.1 0.079 104.7 -14.5-100.0-148.2 10.2 6.2 -10.6 68 80 A Q - 0 0 127 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.260 47.5-165.6 -55.1 135.2 13.7 5.6 -9.4 69 81 A R S S+ 0 0 112 1,-0.2 8,-2.8 -3,-0.1 2,-0.4 0.564 72.6 44.0 -99.8 -13.2 14.1 2.5 -7.2 70 82 A T B S-F 76 0A 78 6,-0.3 6,-0.2 -42,-0.1 -1,-0.2 -0.988 75.1-139.8-134.3 132.9 17.5 3.2 -5.7 71 83 A D > - 0 0 23 4,-2.7 3,-2.6 -2,-0.4 -2,-0.0 -0.413 40.1 -91.0 -88.5 177.2 18.7 6.5 -4.3 72 84 A K T 3 S+ 0 0 173 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.608 128.0 56.2 -65.8 -12.5 22.3 7.9 -4.9 73 85 A Y T 3 S- 0 0 165 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.256 122.1-105.6 -93.8 7.6 23.4 6.1 -1.7 74 86 A G S < S+ 0 0 47 -3,-2.6 2,-0.4 1,-0.3 -47,-0.3 0.677 71.9 146.3 75.8 17.6 22.2 2.7 -3.0 75 87 A R - 0 0 66 -49,-0.1 -4,-2.7 -47,-0.1 -1,-0.3 -0.719 53.0-117.9 -87.8 137.1 19.2 2.6 -0.7 76 88 A G E -dF 28 70A 0 -49,-2.3 -47,-3.1 -2,-0.4 2,-0.6 -0.420 25.0-142.2 -62.9 144.7 16.0 1.0 -2.1 77 89 A L E +d 29 0A 20 -8,-2.8 -12,-0.5 -49,-0.2 2,-0.3 -0.922 42.9 129.3-115.0 113.9 13.2 3.5 -2.3 78 90 A A E -dE 30 64A 0 -49,-1.8 -47,-2.4 -2,-0.6 2,-0.5 -0.950 61.9-107.0-154.8 163.5 9.9 2.0 -1.4 79 91 A Y E - E 0 63A 0 -16,-2.3 -16,-1.9 -2,-0.3 2,-0.4 -0.859 42.4-150.3 -90.2 133.2 6.7 2.0 0.6 80 92 A I E - E 0 62A 0 -2,-0.5 7,-2.8 -18,-0.2 8,-0.7 -0.948 7.9-160.3-113.3 134.5 7.0 -0.7 3.3 81 93 A Y E -GE 86 61A 16 -20,-2.4 -20,-2.1 -2,-0.4 2,-0.6 -0.926 5.5-157.5-116.9 134.8 4.0 -2.6 4.6 82 94 A A E > S-GE 85 60A 8 3,-4.3 3,-1.4 -2,-0.4 -22,-0.2 -0.954 84.1 -23.0-116.8 108.0 4.0 -4.5 7.9 83 95 A D T 3 S- 0 0 71 -24,-3.0 -1,-0.2 -2,-0.6 -23,-0.1 0.937 131.6 -46.7 48.9 51.7 1.2 -7.1 7.9 84 96 A G T 3 S+ 0 0 42 -25,-0.4 2,-0.5 1,-0.2 -1,-0.2 0.359 118.5 112.8 78.2 -6.0 -0.6 -5.1 5.2 85 97 A K E < -G 82 0A 154 -3,-1.4 -3,-4.3 4,-0.0 2,-0.5 -0.875 69.7-122.8-101.3 132.9 -0.2 -1.8 7.0 86 98 A M E > -G 81 0A 10 -2,-0.5 4,-2.0 -5,-0.3 -5,-0.3 -0.588 11.4-159.4 -76.5 115.8 2.1 0.8 5.5 87 99 A V H > S+ 0 0 0 -7,-2.8 4,-2.0 -2,-0.5 5,-0.2 0.933 93.7 59.4 -53.4 -48.5 4.9 2.0 7.7 88 100 A N H > S+ 0 0 0 -8,-0.7 4,-1.2 1,-0.2 -1,-0.2 0.910 111.4 39.4 -46.6 -49.7 5.2 5.2 5.6 89 101 A E H > S+ 0 0 70 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.880 110.1 57.5 -69.0 -40.9 1.6 6.1 6.4 90 102 A A H X S+ 0 0 22 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.818 105.1 52.7 -65.8 -34.3 1.5 5.0 10.1 91 103 A L H <>S+ 0 0 0 -4,-2.0 5,-2.7 2,-0.2 6,-0.9 0.891 111.1 46.1 -64.7 -44.4 4.4 7.4 10.8 92 104 A K H ><5S+ 0 0 0 -4,-1.2 3,-1.4 -5,-0.2 -2,-0.2 0.945 113.3 50.6 -60.8 -48.7 2.5 10.3 9.3 93 105 A R H 3<5S+ 0 0 76 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.848 110.7 48.2 -58.6 -39.5 -0.5 9.2 11.2 94 106 A Q T 3<5S- 0 0 69 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.451 112.9-115.7 -86.0 1.4 1.3 9.1 14.5 95 107 A G T < 5S+ 0 0 0 -3,-1.4 32,-2.4 -4,-0.3 -3,-0.2 0.804 85.2 115.8 72.2 29.3 3.0 12.5 14.0 96 108 A L S - 0 0 156 -2,-0.9 3,-2.0 3,-0.4 2,-0.1 -0.907 37.2-110.4-109.6 136.7 9.6 13.8 -6.6 104 116 A K T 3 S+ 0 0 191 -2,-0.4 -2,-0.0 1,-0.3 4,-0.0 -0.450 107.8 36.4 -66.3 138.0 7.1 13.5 -9.5 105 117 A G T 3 S+ 0 0 32 -38,-0.1 -39,-0.4 -2,-0.1 -38,-0.4 0.043 115.7 57.2 102.9 -25.8 7.3 9.9 -10.7 106 118 A N S < S+ 0 0 12 -3,-2.0 -3,-0.4 -40,-0.2 -74,-0.1 -0.383 83.5 88.2-127.4 52.3 7.7 8.5 -7.2 107 119 A N > + 0 0 33 -5,-0.1 3,-2.6 1,-0.1 4,-0.3 0.235 31.8 132.0-138.7 19.1 4.6 9.9 -5.5 108 120 A T T 3 S+ 0 0 77 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.823 83.8 41.9 -42.6 -42.2 1.7 7.6 -5.9 109 121 A H T 3> S+ 0 0 37 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.121 78.5 113.0-100.7 23.3 0.8 7.8 -2.2 110 122 A E H <> S+ 0 0 50 -3,-2.6 4,-2.5 1,-0.2 5,-0.2 0.937 79.6 44.6 -57.2 -51.0 1.3 11.5 -1.7 111 123 A Q H > S+ 0 0 177 -3,-0.4 4,-2.7 -4,-0.3 -1,-0.2 0.937 113.6 50.7 -59.9 -50.0 -2.4 12.3 -1.0 112 124 A L H > S+ 0 0 69 -4,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.929 114.0 43.1 -54.2 -48.1 -2.9 9.4 1.3 113 125 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.857 112.6 52.5 -72.6 -34.1 0.2 10.3 3.4 114 126 A R H X S+ 0 0 108 -4,-2.5 4,-2.9 -5,-0.3 -1,-0.2 0.874 107.4 54.5 -68.0 -31.8 -0.7 14.0 3.4 115 127 A K H X S+ 0 0 162 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.974 109.9 45.6 -59.5 -53.4 -4.2 12.9 4.7 116 128 A A H X S+ 0 0 6 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.900 113.6 49.9 -54.1 -46.1 -2.5 11.0 7.6 117 129 A E H X S+ 0 0 15 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.933 107.3 54.5 -59.7 -45.5 -0.3 13.9 8.2 118 130 A A H X S+ 0 0 44 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.924 111.1 44.9 -54.6 -48.2 -3.3 16.3 8.2 119 131 A Q H X S+ 0 0 88 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.873 113.6 49.2 -65.9 -39.9 -5.1 14.2 10.9 120 132 A A H <>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 4,-0.3 0.887 112.2 49.4 -62.1 -42.4 -1.9 13.9 13.0 121 133 A K H <5S+ 0 0 90 -4,-3.1 -2,-0.2 3,-0.2 -1,-0.2 0.753 108.2 55.1 -66.7 -29.3 -1.5 17.7 12.7 122 134 A K H <5S+ 0 0 145 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.942 111.3 42.4 -65.3 -49.3 -5.2 18.1 13.7 123 135 A E T <5S- 0 0 95 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.418 108.3-124.3 -77.2 -2.1 -4.7 16.1 17.0 124 136 A K T 5 - 0 0 131 -4,-0.3 2,-0.2 -3,-0.2 -3,-0.2 0.902 45.4-177.6 50.0 47.3 -1.4 17.8 17.7 125 137 A L > < - 0 0 38 -5,-2.3 3,-2.7 3,-0.1 -1,-0.2 -0.543 45.3 -50.3 -74.9 138.4 0.3 14.4 17.9 126 138 A N G > S+ 0 0 52 1,-0.3 3,-1.7 -2,-0.2 -30,-0.2 -0.049 136.1 25.1 43.4-100.0 4.0 14.1 18.7 127 139 A I G 3 S+ 0 0 38 -32,-2.4 -1,-0.3 1,-0.3 -31,-0.1 0.560 124.8 53.9 -74.1 -4.5 6.0 16.5 16.4 128 140 A W G < 0 0 60 -3,-2.7 -1,-0.3 1,-0.1 -2,-0.2 0.308 360.0 360.0-107.4 8.9 2.9 18.6 16.0 129 141 A S < 0 0 101 -3,-1.7 -1,-0.1 -4,-0.2 -2,-0.1 0.447 360.0 360.0 -86.0 360.0 2.5 19.0 19.8