==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-JUN-04 1TT2 . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR D.M.NGUYEN,R.L.REYNALD,A.G.GITTIS,E.E.LATTMAN . 130 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7574.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 66.9 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 23.8 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 1.5 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 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 20.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.5 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 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 6 A K 0 0 230 0, 0.0 2,-0.1 0, 0.0 65,-0.0 0.000 360.0 360.0 360.0 151.5 -2.1 38.7 23.5 2 7 A L - 0 0 36 62,-0.1 2,-0.3 107,-0.0 64,-0.1 -0.379 360.0-169.4 -75.8 152.3 0.5 36.5 21.7 3 8 A H - 0 0 97 62,-0.4 62,-0.5 -2,-0.1 2,-0.3 -0.998 20.9-120.2-145.0 144.0 3.6 37.9 20.1 4 9 A K - 0 0 90 -2,-0.3 60,-0.2 60,-0.2 77,-0.1 -0.665 26.9-167.5 -86.9 137.4 6.3 36.5 17.7 5 10 A E E -A 63 0A 21 58,-2.6 58,-2.8 -2,-0.3 -2,-0.0 -0.962 25.5-105.6-125.2 142.7 9.9 36.4 18.9 6 11 A P E +A 62 0A 107 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.288 40.1 170.9 -67.3 148.9 13.0 35.7 16.8 7 12 A A E -A 61 0A 10 54,-1.9 54,-0.5 15,-0.1 2,-0.4 -0.966 24.7-131.6-153.7 150.7 14.8 32.4 17.0 8 13 A T E -B 21 0A 96 13,-2.2 13,-3.3 -2,-0.3 2,-0.2 -0.918 24.6-115.0-112.8 136.7 17.7 30.8 15.1 9 14 A L E +B 20 0A 43 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.441 34.7 167.1 -70.8 133.5 17.7 27.3 13.7 10 15 A I E - 0 0 70 9,-2.5 2,-0.3 1,-0.2 10,-0.2 0.739 68.6 -27.7-106.1 -53.5 20.2 24.9 15.1 11 16 A K E -B 19 0A 131 8,-1.9 8,-3.3 44,-0.0 2,-0.4 -0.918 50.8-125.6-168.7 134.8 18.9 21.6 13.7 12 17 A A E -B 18 0A 13 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.709 25.2-177.5 -82.4 129.8 15.5 20.0 12.6 13 18 A I - 0 0 88 4,-1.6 2,-0.2 -2,-0.4 5,-0.2 0.893 55.3 -43.0 -92.9 -58.9 15.0 16.8 14.5 14 19 A D S S- 0 0 20 3,-2.1 -1,-0.3 33,-0.1 3,-0.1 -0.738 82.1 -51.7-151.0-158.9 11.7 15.4 13.1 15 20 A G S S+ 0 0 0 22,-0.4 77,-0.1 -2,-0.2 23,-0.1 0.867 130.8 13.7 -57.5 -41.1 8.2 16.5 12.1 16 21 A D S S+ 0 0 6 21,-0.1 15,-2.6 20,-0.1 2,-0.4 0.322 115.4 72.2-121.1 7.3 7.2 18.3 15.3 17 22 A T E + C 0 30A 13 13,-0.2 -3,-2.1 -3,-0.1 -4,-1.6 -0.989 51.8 165.8-130.0 130.5 10.5 18.8 17.2 18 23 A V E -BC 12 29A 1 11,-2.4 11,-3.7 -2,-0.4 2,-0.6 -0.966 33.2-124.6-140.6 153.5 13.3 21.2 16.3 19 24 A K E +BC 11 28A 76 -8,-3.3 -9,-2.5 -2,-0.3 -8,-1.9 -0.905 37.7 174.5-102.5 123.4 16.4 22.6 18.1 20 25 A L E -BC 9 27A 0 7,-2.7 7,-3.1 -2,-0.6 2,-0.8 -0.895 37.0-122.9-128.6 157.5 16.6 26.4 18.1 21 26 A M E -BC 8 26A 69 -13,-3.3 -13,-2.2 -2,-0.3 2,-0.5 -0.902 37.5-178.8 -98.4 107.8 18.7 29.1 19.6 22 27 A Y E > - C 0 25A 22 3,-2.7 3,-1.3 -2,-0.8 -15,-0.1 -0.961 66.9 -16.7-116.7 118.9 16.3 31.2 21.6 23 28 A K T 3 S- 0 0 159 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.921 129.8 -51.3 54.8 46.3 17.6 34.2 23.5 24 29 A G T 3 S+ 0 0 66 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.525 119.0 106.5 72.1 7.8 21.2 33.0 23.1 25 30 A Q E < S-C 22 0A 129 -3,-1.3 -3,-2.7 2,-0.0 2,-0.3 -0.971 71.1-122.9-125.3 131.1 20.4 29.6 24.5 26 31 A P E +C 21 0A 77 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.538 43.1 169.2 -69.7 124.1 20.2 26.2 22.6 27 32 A M E -C 20 0A 42 -7,-3.1 -7,-2.7 -2,-0.3 2,-0.5 -0.967 37.0-124.7-137.8 154.3 16.8 24.7 23.3 28 33 A T E -C 19 0A 48 47,-0.3 49,-2.6 -2,-0.3 2,-0.4 -0.856 31.5-159.0 -97.4 129.4 14.6 21.8 22.0 29 34 A F E -Cd 18 77A 6 -11,-3.7 -11,-2.4 -2,-0.5 2,-0.5 -0.938 8.1-160.0-115.0 138.5 11.2 23.1 20.8 30 35 A R E -Cd 17 78A 20 47,-3.3 49,-1.3 -2,-0.4 -13,-0.2 -0.968 28.6-114.3-116.6 127.6 8.0 21.0 20.4 31 36 A L E > - d 0 79A 4 -15,-2.6 3,-0.9 -2,-0.5 49,-0.2 -0.420 32.4-119.0 -65.7 127.9 5.2 22.3 18.2 32 37 A L T 3 S+ 0 0 12 47,-2.1 49,-0.1 1,-0.2 -1,-0.1 -0.317 84.2 4.0 -67.2 148.2 2.0 23.1 20.1 33 38 A L T 3 S+ 0 0 3 69,-0.5 68,-1.5 74,-0.1 2,-0.3 0.484 109.4 90.3 58.4 13.4 -1.3 21.4 19.3 34 39 A V E < -H 100 0B 0 -3,-0.9 2,-0.3 66,-0.3 66,-0.2 -0.896 51.8-159.7-135.7 164.2 0.1 18.9 16.7 35 40 A D E -H 99 0B 55 64,-1.6 64,-2.1 -2,-0.3 -3,-0.0 -0.908 6.6-168.3-148.0 111.9 1.5 15.4 16.5 36 41 A T - 0 0 2 -2,-0.3 62,-0.2 62,-0.2 -20,-0.1 -0.677 36.5 -98.8 -93.5 153.1 3.6 14.2 13.6 37 42 A P - 0 0 17 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.283 44.2 -94.7 -67.6 159.3 4.4 10.4 13.4 38 43 A E > - 0 0 101 1,-0.1 3,-2.9 -24,-0.1 6,-0.3 -0.448 38.1-108.4 -70.5 152.2 7.7 9.1 14.6 39 50 A F T 3 S+ 0 0 130 1,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.801 122.4 55.7 -51.4 -29.8 10.3 8.7 11.8 40 51 A N T 3 S+ 0 0 135 4,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.398 100.4 75.2 -84.1 -0.8 9.8 5.0 12.1 41 52 A E S X S- 0 0 97 -3,-2.9 3,-2.3 1,-0.1 2,-0.1 -0.642 100.6 -68.1-109.2 168.6 6.1 5.2 11.5 42 53 A K T 3 S+ 0 0 165 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.340 122.5 5.9 -58.5 129.2 4.0 5.8 8.4 43 54 A Y T 3> S+ 0 0 43 -4,-0.1 4,-2.4 -2,-0.1 -1,-0.3 0.462 97.4 117.7 73.1 4.9 4.4 9.3 7.1 44 55 A G H <> S+ 0 0 0 -3,-2.3 4,-2.3 -6,-0.3 -5,-0.2 0.956 76.6 43.4 -64.7 -52.5 7.1 9.9 9.7 45 56 A P H > S+ 0 0 48 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.864 114.0 53.2 -61.2 -36.7 9.9 10.5 7.1 46 57 A E H > S+ 0 0 96 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.918 110.2 45.8 -64.4 -46.4 7.5 12.7 5.1 47 58 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.898 112.9 51.0 -64.5 -40.9 6.7 14.9 8.1 48 59 A S H X S+ 0 0 14 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.939 112.0 46.3 -61.6 -47.6 10.4 15.1 9.0 49 60 A A H X S+ 0 0 57 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.869 111.1 53.2 -62.3 -40.1 11.4 16.2 5.5 50 61 A F H X S+ 0 0 54 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.959 114.0 40.4 -60.6 -54.1 8.5 18.7 5.3 51 62 A T H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.914 114.2 53.8 -62.3 -43.9 9.5 20.5 8.5 52 63 A K H X S+ 0 0 98 -4,-2.6 4,-2.6 -5,-0.2 5,-0.3 0.931 111.7 44.6 -56.3 -49.9 13.2 20.2 7.7 53 64 A K H X S+ 0 0 143 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.931 113.3 51.1 -60.5 -48.0 12.7 21.9 4.3 54 65 A M H < S+ 0 0 40 -4,-2.4 4,-0.4 -5,-0.2 -2,-0.2 0.885 117.0 37.5 -60.1 -42.7 10.4 24.6 5.8 55 66 A V H < S+ 0 0 1 -4,-2.6 3,-0.3 2,-0.2 -1,-0.2 0.866 116.8 49.7 -80.6 -35.8 12.8 25.6 8.6 56 67 A E H < S+ 0 0 98 -4,-2.6 -2,-0.2 -5,-0.3 -3,-0.2 0.853 113.3 45.7 -71.2 -35.1 16.1 25.3 6.7 57 68 A N S < S+ 0 0 105 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.545 90.6 111.2 -85.4 -6.9 14.9 27.3 3.7 58 69 A A - 0 0 19 -4,-0.4 3,-0.1 -3,-0.3 -3,-0.0 -0.348 55.2-157.4 -70.6 145.5 13.4 30.1 5.8 59 70 A K S S+ 0 0 185 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.860 85.0 26.5 -84.7 -43.2 14.9 33.5 5.9 60 71 A K - 0 0 146 -52,-0.0 24,-2.7 -54,-0.0 2,-0.4 -0.972 66.3-166.1-126.2 134.7 13.3 34.3 9.3 61 72 A I E +AE 7 83A 18 -54,-0.5 -54,-1.9 -2,-0.4 2,-0.3 -0.971 12.5 179.5-119.9 132.2 12.2 31.9 12.1 62 73 A E E -AE 6 82A 50 20,-2.2 20,-3.1 -2,-0.4 2,-0.4 -0.965 15.6-150.5-131.7 150.2 10.0 33.1 14.9 63 74 A V E -AE 5 81A 0 -58,-2.8 -58,-2.6 -2,-0.3 2,-0.4 -0.931 6.1-163.7-119.5 143.3 8.5 31.4 17.9 64 75 A E E - E 0 80A 15 16,-2.0 16,-2.4 -2,-0.4 -60,-0.2 -0.937 8.4-153.4-131.6 106.3 5.2 32.3 19.6 65 76 A F E - E 0 79A 12 -62,-0.5 -62,-0.4 -2,-0.4 14,-0.2 -0.432 17.1-130.5 -73.7 152.9 4.5 31.1 23.1 66 77 A D - 0 0 6 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.165 35.2 -87.1 -89.1-165.6 0.8 30.7 24.0 67 78 A K S S+ 0 0 154 39,-0.5 40,-0.2 -2,-0.1 3,-0.1 0.642 105.3 50.3 -81.7 -13.3 -0.8 32.1 27.2 68 79 A G S S- 0 0 30 38,-0.6 38,-0.1 1,-0.3 39,-0.1 0.061 105.3 -11.2-103.5-148.5 0.1 29.0 29.4 69 80 A Q - 0 0 151 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.186 48.7-158.1 -53.7 134.1 3.1 26.9 30.2 70 81 A R S S+ 0 0 109 -3,-0.1 8,-2.5 -5,-0.1 2,-0.3 0.476 71.9 39.4 -95.8 -4.7 6.1 27.5 28.0 71 82 A T B S-F 77 0A 73 6,-0.3 6,-0.2 -42,-0.1 2,-0.1 -0.987 72.1-134.4-142.7 149.5 7.9 24.2 28.5 72 83 A D > - 0 0 31 4,-2.1 3,-2.1 -2,-0.3 -2,-0.0 -0.361 44.0 -86.5 -93.5-178.7 6.8 20.6 28.8 73 84 A K T 3 S+ 0 0 184 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.696 127.3 58.3 -62.1 -18.4 8.0 18.0 31.3 74 85 A Y T 3 S- 0 0 166 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.368 120.3-106.5 -92.1 3.5 10.9 17.1 29.1 75 86 A G S < S+ 0 0 50 -3,-2.1 2,-0.4 1,-0.3 -47,-0.3 0.583 72.2 144.6 83.1 10.3 12.2 20.7 29.1 76 87 A R - 0 0 62 -49,-0.1 -4,-2.1 1,-0.1 -1,-0.3 -0.668 54.1-116.4 -85.7 135.2 11.1 21.4 25.5 77 88 A G E -dF 29 71A 0 -49,-2.6 -47,-3.3 -2,-0.4 2,-0.6 -0.427 25.6-143.6 -67.4 139.7 9.8 24.8 24.6 78 89 A L E +d 30 0A 28 -8,-2.5 -12,-0.5 -49,-0.2 2,-0.3 -0.922 42.5 122.7-111.1 110.6 6.1 24.8 23.6 79 90 A A E -dE 31 65A 4 -49,-1.3 -47,-2.1 -2,-0.6 2,-0.6 -0.943 63.2 -97.0-157.2 173.1 5.2 27.2 20.9 80 91 A Y E - E 0 64A 0 -16,-2.4 -16,-2.0 -2,-0.3 2,-0.4 -0.885 43.8-148.7 -93.9 125.5 3.9 28.0 17.5 81 92 A K E - E 0 63A 4 -2,-0.6 7,-2.8 -18,-0.2 8,-0.6 -0.816 8.8-159.9-103.0 139.6 6.8 28.2 15.0 82 93 A Y E -GE 87 62A 15 -20,-3.1 -20,-2.2 -2,-0.4 2,-0.6 -0.960 8.8-164.6-121.9 132.5 6.8 30.6 12.0 83 94 A A E > S-GE 86 61A 7 3,-2.9 3,-1.8 -2,-0.4 -22,-0.2 -0.960 85.7 -25.2-114.8 107.0 8.9 30.3 8.9 84 95 A D T 3 S- 0 0 66 -24,-2.7 -1,-0.2 -2,-0.6 -23,-0.1 0.887 128.7 -48.1 54.7 43.4 8.8 33.6 7.0 85 96 A G T 3 S+ 0 0 40 -25,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.297 115.4 114.6 85.1 -10.7 5.4 34.3 8.5 86 97 A K E < -G 83 0A 149 -3,-1.8 -3,-2.9 4,-0.0 2,-0.4 -0.838 68.7-124.5 -97.1 125.2 3.9 30.9 7.8 87 98 A M E > -G 82 0A 9 -2,-0.5 4,-2.3 -5,-0.2 -5,-0.3 -0.549 12.3-157.6 -72.7 122.8 3.0 28.8 10.8 88 99 A V H > S+ 0 0 0 -7,-2.8 4,-2.5 -2,-0.4 5,-0.2 0.887 92.3 58.1 -64.6 -40.0 4.7 25.4 10.7 89 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.936 111.9 40.6 -55.9 -49.8 2.1 23.9 13.0 90 101 A E H > S+ 0 0 65 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.896 111.6 56.3 -66.5 -43.3 -0.7 24.8 10.6 91 102 A A H X S+ 0 0 23 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.912 107.4 48.8 -56.6 -45.9 1.3 23.8 7.5 92 103 A L H <>S+ 0 0 0 -4,-2.5 5,-2.7 2,-0.2 6,-0.7 0.918 114.3 45.1 -61.1 -46.0 1.9 20.3 8.7 93 104 A V H ><5S+ 0 0 0 -4,-1.6 3,-1.4 -5,-0.2 -2,-0.2 0.908 111.1 52.8 -65.6 -41.9 -1.8 19.8 9.6 94 105 A R H 3<5S+ 0 0 81 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.817 109.4 51.0 -63.3 -29.8 -3.0 21.3 6.3 95 106 A Q T 3<5S- 0 0 81 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.424 114.2-117.6 -87.2 -2.1 -0.7 18.9 4.5 96 107 A G T < 5S+ 0 0 0 -3,-1.4 32,-2.3 -4,-0.2 -3,-0.2 0.800 85.9 115.5 69.5 26.5 -2.1 15.9 6.4 97 108 A L S - 0 0 148 -2,-1.1 3,-2.1 3,-0.4 -71,-0.0 -0.915 34.0-111.4-109.5 130.0 -4.7 21.6 26.6 105 116 A K T 3 S+ 0 0 183 -2,-0.5 4,-0.0 1,-0.2 -1,-0.0 -0.327 105.7 35.5 -56.7 133.7 -6.8 24.5 27.8 106 117 A G T 3 S+ 0 0 40 -38,-0.1 -38,-0.6 -2,-0.0 -39,-0.5 -0.072 118.2 53.4 110.1 -32.5 -4.6 27.6 28.4 107 118 A N S < S+ 0 0 15 -3,-2.1 -3,-0.4 -40,-0.2 -74,-0.1 -0.326 83.4 93.0-125.7 46.1 -2.3 26.7 25.4 108 119 A N > + 0 0 36 -5,-0.1 3,-2.0 1,-0.1 4,-0.3 0.073 34.1 129.0-130.6 28.6 -5.0 26.4 22.8 109 120 A T T 3 S+ 0 0 63 1,-0.3 3,-0.3 -3,-0.1 4,-0.2 0.867 83.3 38.7 -51.3 -42.6 -5.2 29.8 21.1 110 121 A H T 3> S+ 0 0 36 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.167 81.4 114.3 -98.4 21.4 -4.9 28.4 17.6 111 122 A E H <> S+ 0 0 30 -3,-2.0 4,-2.5 1,-0.2 5,-0.2 0.912 78.0 45.7 -56.6 -49.3 -7.0 25.3 18.1 112 123 A Q H > S+ 0 0 138 -3,-0.3 4,-2.1 -4,-0.3 -1,-0.2 0.900 110.7 53.4 -63.6 -39.3 -9.8 26.3 15.8 113 124 A L H > S+ 0 0 64 1,-0.2 4,-1.6 -4,-0.2 -1,-0.2 0.918 113.6 43.7 -60.4 -44.8 -7.4 27.4 13.0 114 125 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.870 111.0 52.5 -70.1 -39.2 -5.6 24.0 13.2 115 126 A R H X S+ 0 0 96 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.873 108.1 52.9 -66.0 -33.1 -8.8 22.0 13.4 116 127 A K H X S+ 0 0 138 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.912 109.7 48.7 -65.5 -42.6 -10.0 23.8 10.2 117 128 A A H X S+ 0 0 3 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.889 111.1 50.1 -64.9 -38.9 -6.8 22.8 8.5 118 129 A E H X S+ 0 0 22 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.912 107.2 54.1 -65.9 -43.3 -7.2 19.2 9.6 119 130 A A H X S+ 0 0 57 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.883 110.7 46.5 -58.2 -40.5 -10.8 19.0 8.3 120 131 A Q H X S+ 0 0 64 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.895 111.8 49.6 -70.3 -41.2 -9.6 20.2 4.9 121 132 A A H <>S+ 0 0 0 -4,-2.1 5,-2.4 2,-0.2 -2,-0.2 0.897 113.3 48.0 -64.2 -38.6 -6.7 17.8 4.8 122 133 A K H ><5S+ 0 0 100 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.926 109.8 51.3 -67.2 -44.0 -9.1 15.0 5.8 123 134 A K H 3<5S+ 0 0 162 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.849 112.5 47.1 -61.3 -35.1 -11.6 16.1 3.1 124 135 A E T 3<5S- 0 0 80 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.388 108.5-129.0 -87.4 2.1 -8.8 16.0 0.5 125 136 A K T < 5 - 0 0 155 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.886 42.1-179.3 50.1 46.4 -7.7 12.6 1.8 126 137 A L > < - 0 0 44 -5,-2.4 3,-2.8 3,-0.1 -1,-0.2 -0.643 44.8 -60.7 -85.6 130.4 -4.1 13.8 2.1 127 138 A N G > S+ 0 0 50 -2,-0.4 3,-2.6 1,-0.3 -30,-0.2 -0.085 135.2 31.1 41.3-101.9 -1.3 11.5 3.4 128 139 A I G 3 S+ 0 0 42 -32,-2.3 -1,-0.3 1,-0.3 -31,-0.1 0.850 127.8 46.9 -50.7 -34.5 -2.3 10.4 6.9 129 140 A W G < 0 0 58 -3,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.338 360.0 360.0 -91.1 5.1 -5.9 10.7 5.8 130 141 A S < 0 0 100 -3,-2.6 -1,-0.2 -4,-0.2 -2,-0.2 0.722 360.0 360.0 -75.8 360.0 -5.4 8.8 2.5