==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-SEP-13 4MIU . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.A.CARO,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) . 7254.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 69.0 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 . 34 26.4 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 . 7 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 10.1 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 0 2 0 2 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 68 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 151.6 2.5 -1.2 -8.2 2 8 A H - 0 0 155 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.956 360.0-129.3-128.1 139.4 3.3 -4.7 -6.9 3 9 A K E -A 63 0A 91 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.601 27.9-170.1 -79.8 140.4 4.3 -6.0 -3.5 4 10 A E E -A 62 0A 43 58,-2.5 58,-2.9 -2,-0.3 2,-0.0 -0.951 24.9 -97.9-130.4 150.0 7.3 -8.3 -3.4 5 11 A P E +A 61 0A 106 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.300 44.3 155.3 -68.5 153.7 8.7 -10.5 -0.7 6 12 A A E -AB 60 21A 13 54,-1.6 54,-0.7 15,-0.1 2,-0.3 -0.960 27.1-137.7-160.4 165.0 11.6 -9.6 1.7 7 13 A T E - B 0 20A 81 13,-1.5 13,-3.5 -2,-0.3 2,-0.2 -0.976 29.7-103.1-127.1 149.8 12.8 -10.6 5.1 8 14 A L E + B 0 19A 60 -2,-0.3 11,-0.3 11,-0.2 3,-0.1 -0.461 33.5 171.9 -66.5 128.8 14.1 -8.4 8.0 9 15 A I E - 0 0 77 9,-3.1 2,-0.3 1,-0.3 10,-0.2 0.760 68.1 -35.3 -97.6 -54.1 17.9 -8.5 8.5 10 16 A K E - B 0 18A 132 8,-1.9 8,-2.8 0, 0.0 -1,-0.3 -0.960 56.4-103.7-163.3 152.6 18.0 -5.7 11.0 11 17 A A E + B 0 17A 31 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.318 31.7 171.8 -62.6 145.2 16.5 -2.4 12.1 12 18 A I E - 0 0 80 4,-1.1 2,-0.2 1,-0.4 5,-0.2 0.535 53.2 -47.0-117.2 -75.3 18.4 0.8 11.4 13 19 A D E > S- B 0 16A 23 3,-1.9 3,-0.7 33,-0.1 -1,-0.4 -0.731 72.3 -61.2-146.0-157.3 16.3 3.9 12.2 14 20 A G T 3 S+ 0 0 0 22,-0.3 77,-0.1 1,-0.3 23,-0.1 0.817 131.1 20.3 -66.7 -31.1 12.8 5.4 11.7 15 21 A D T 3 S+ 0 0 4 21,-0.1 15,-2.6 20,-0.1 2,-0.3 0.243 118.0 62.9-123.7 13.4 12.9 5.6 7.9 16 22 A T E < +BC 13 29A 10 -3,-0.7 -3,-1.9 13,-0.2 -4,-1.1 -0.990 52.0 169.6-136.3 145.7 15.7 3.0 7.0 17 23 A T E -BC 11 28A 3 11,-1.7 11,-3.3 -2,-0.3 2,-0.6 -0.986 33.2-120.3-150.5 152.3 15.8 -0.7 7.5 18 24 A K E +BC 10 27A 66 -8,-2.8 -9,-3.1 -2,-0.3 -8,-1.9 -0.876 41.6 168.0-101.5 115.8 18.1 -3.6 6.4 19 25 A L E -BC 8 26A 0 7,-2.4 7,-2.6 -2,-0.6 2,-0.6 -0.886 38.3-121.4-121.6 155.9 16.1 -6.3 4.5 20 26 A M E +BC 7 25A 79 -13,-3.5 -13,-1.5 -2,-0.3 2,-0.4 -0.883 36.0 179.3 -98.2 122.0 17.0 -9.2 2.3 21 27 A Y E > -BC 6 24A 19 3,-2.7 3,-2.0 -2,-0.6 -15,-0.1 -0.990 68.5 -6.9-128.1 128.4 15.4 -8.7 -1.1 22 28 A K T 3 S- 0 0 158 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.868 131.4 -58.8 48.1 36.2 15.9 -11.2 -4.0 23 29 A G T 3 S+ 0 0 48 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.505 118.1 107.5 80.1 5.7 18.3 -13.0 -1.7 24 30 A Q E < S-C 21 0A 125 -3,-2.0 -3,-2.7 -5,-0.0 2,-0.3 -0.903 73.1-115.4-120.7 136.7 20.7 -9.9 -1.3 25 31 A P E +C 20 0A 82 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.565 43.6 169.7 -66.6 133.9 21.1 -7.7 1.8 26 32 A M E -C 19 0A 39 -7,-2.6 -7,-2.4 -2,-0.3 2,-0.5 -0.995 35.1-130.2-144.5 139.5 20.0 -4.1 1.0 27 33 A T E -C 18 0A 32 -2,-0.3 49,-2.7 47,-0.3 2,-0.4 -0.812 30.1-153.3 -82.9 130.2 19.3 -1.1 3.1 28 34 A F E -Cd 17 76A 1 -11,-3.3 -11,-1.7 -2,-0.5 2,-0.5 -0.895 7.2-155.1-104.8 135.6 15.9 0.4 2.2 29 35 A R E -Cd 16 77A 21 47,-3.6 49,-1.3 -2,-0.4 2,-0.2 -0.954 29.3-116.6-105.9 128.5 15.0 4.0 2.6 30 36 A L E > - d 0 78A 5 -15,-2.6 3,-0.9 -2,-0.5 49,-0.2 -0.443 31.6-118.5 -69.3 126.2 11.2 4.6 3.0 31 37 A L T 3 S+ 0 0 10 47,-2.3 49,-0.1 -2,-0.2 -1,-0.1 -0.326 84.6 6.2 -60.2 142.5 9.6 6.6 0.1 32 38 A L T 3 S+ 0 0 3 69,-0.5 68,-1.7 74,-0.1 2,-0.3 0.465 108.0 91.6 71.8 13.1 7.9 10.0 0.7 33 39 A V E < -H 99 0B 0 -3,-0.9 2,-0.3 66,-0.3 66,-0.2 -0.878 50.7-159.8-137.4 163.0 8.8 10.4 4.4 34 40 A D E -H 98 0B 51 64,-1.4 64,-2.2 -2,-0.3 3,-0.1 -0.904 9.4-168.0-144.1 113.4 11.4 11.9 6.8 35 41 A T - 0 0 1 -2,-0.3 62,-0.2 62,-0.2 -20,-0.1 -0.685 37.5 -96.9 -87.5 151.2 11.8 10.7 10.3 36 42 A P - 0 0 15 0, 0.0 -22,-0.3 0, 0.0 -21,-0.1 -0.354 47.9 -99.1 -61.1 146.3 14.0 12.8 12.7 37 43 A E > - 0 0 89 1,-0.1 3,-1.5 -24,-0.1 6,-0.3 -0.344 38.4-103.6 -60.6 153.7 17.6 11.4 13.1 38 50 A F T 3 S+ 0 0 132 1,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.835 124.5 56.2 -49.2 -35.5 18.0 9.3 16.2 39 51 A N T 3 S+ 0 0 130 4,-0.2 -1,-0.3 3,-0.1 3,-0.1 0.747 98.5 76.9 -67.3 -30.1 19.8 12.4 17.7 40 52 A E S X S- 0 0 97 -3,-1.5 3,-2.0 1,-0.2 2,-0.0 -0.267 100.7 -73.0 -83.7 167.6 16.8 14.7 17.2 41 53 A K T 3 S+ 0 0 158 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 -0.390 122.4 10.7 -60.9 137.6 13.6 15.1 19.0 42 54 A Y T 3> S+ 0 0 38 -3,-0.1 4,-2.5 -4,-0.1 -1,-0.3 0.375 97.2 114.6 65.6 -1.2 11.3 12.1 18.3 43 55 A G H <> S+ 0 0 0 -3,-2.0 4,-2.5 -6,-0.3 -5,-0.2 0.947 77.0 44.5 -55.3 -55.6 14.2 10.3 16.6 44 56 A P H > S+ 0 0 50 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.905 113.9 50.6 -58.8 -41.3 14.3 7.6 19.2 45 57 A E H > S+ 0 0 100 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.890 111.1 48.8 -66.0 -36.2 10.5 7.2 19.1 46 58 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.943 111.3 49.0 -66.8 -45.4 10.5 6.9 15.3 47 59 A S H X S+ 0 0 16 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.907 113.5 47.9 -56.9 -45.7 13.3 4.3 15.4 48 60 A A H X S+ 0 0 58 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.892 109.8 52.2 -63.8 -38.1 11.4 2.4 18.0 49 61 A F H X S+ 0 0 57 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.934 114.1 41.1 -66.9 -49.8 8.2 2.5 16.1 50 62 A T H X S+ 0 0 6 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.886 113.1 54.4 -62.4 -44.3 9.6 1.2 12.9 51 63 A K H X S+ 0 0 100 -4,-2.5 4,-2.6 -5,-0.2 5,-0.3 0.938 112.6 43.8 -55.4 -48.3 11.8 -1.4 14.6 52 64 A K H X S+ 0 0 129 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.934 112.8 50.4 -65.1 -46.2 8.7 -2.8 16.4 53 65 A M H X S+ 0 0 28 -4,-2.4 4,-0.7 -5,-0.2 -1,-0.2 0.909 116.3 41.3 -59.2 -44.1 6.5 -2.7 13.4 54 66 A V H < S+ 0 0 4 -4,-2.5 3,-0.4 1,-0.2 -2,-0.2 0.901 117.2 44.3 -76.4 -42.6 9.0 -4.5 11.1 55 67 A E H < S+ 0 0 88 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.842 111.6 53.4 -73.5 -35.5 10.3 -7.2 13.6 56 68 A N H < S+ 0 0 89 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.688 90.0 101.6 -68.9 -18.7 6.8 -8.1 14.9 57 69 A A < - 0 0 17 -4,-0.7 3,-0.2 -3,-0.4 -3,-0.0 -0.370 59.4-156.7 -69.4 146.7 5.5 -8.7 11.3 58 70 A K S S+ 0 0 184 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.796 86.9 32.7 -83.4 -29.8 5.1 -12.2 10.0 59 71 A K - 0 0 117 -52,-0.0 24,-2.7 2,-0.0 2,-0.4 -0.974 68.2-168.9-137.2 113.2 5.3 -11.0 6.4 60 72 A I E -AE 6 82A 12 -54,-0.7 -54,-1.6 -2,-0.4 2,-0.4 -0.856 12.7-175.7 -97.8 139.2 7.4 -8.0 5.2 61 73 A E E -AE 5 81A 28 20,-2.2 20,-3.0 -2,-0.4 2,-0.4 -0.987 15.5-149.0-134.9 150.8 6.9 -6.8 1.7 62 74 A V E -AE 4 80A 0 -58,-2.9 -58,-2.5 -2,-0.4 2,-0.5 -0.918 8.1-167.9-117.6 141.2 8.5 -4.2 -0.5 63 75 A E E -AE 3 79A 7 16,-2.2 16,-3.1 -2,-0.4 -60,-0.2 -0.953 9.5-153.8-131.5 109.4 6.8 -2.2 -3.2 64 76 A F - 0 0 9 -62,-0.5 -62,-0.4 -2,-0.5 14,-0.2 -0.468 13.3-134.2 -77.9 153.2 8.8 -0.1 -5.6 65 77 A D - 0 0 5 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.146 36.4 -86.1 -91.8-167.2 7.2 2.9 -7.3 66 78 A K S S+ 0 0 169 39,-0.3 40,-0.2 -2,-0.1 3,-0.1 0.687 104.0 50.4 -79.8 -18.4 7.5 3.8 -11.0 67 79 A G S S- 0 0 32 38,-0.4 39,-0.1 1,-0.3 38,-0.1 0.257 105.2 -9.6-103.6-142.7 10.8 5.6 -10.9 68 80 A Q - 0 0 119 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.273 47.7-163.0 -66.3 141.0 14.3 5.1 -9.5 69 81 A R S S+ 0 0 125 1,-0.2 8,-2.7 -3,-0.1 2,-0.3 0.550 74.5 39.2 -99.9 -16.2 14.6 2.0 -7.3 70 82 A T B S-F 76 0A 71 6,-0.3 6,-0.2 -42,-0.1 -1,-0.2 -0.986 76.0-139.0-133.8 144.4 17.9 2.9 -5.6 71 83 A D > - 0 0 22 4,-2.5 3,-2.0 -2,-0.3 -2,-0.1 -0.291 42.2 -82.6 -92.1-171.5 19.1 6.3 -4.5 72 84 A K T 3 S+ 0 0 178 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.603 129.7 53.6 -70.4 -11.2 22.6 7.8 -4.8 73 85 A Y T 3 S- 0 0 164 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.251 121.1-106.5 -99.8 4.5 23.8 5.9 -1.7 74 86 A G S < S+ 0 0 51 -3,-2.0 2,-0.3 1,-0.3 -47,-0.3 0.545 72.5 145.6 75.3 10.6 22.6 2.5 -3.1 75 87 A R - 0 0 68 -49,-0.1 -4,-2.5 -47,-0.1 -1,-0.3 -0.624 54.0-116.2 -72.7 139.2 19.6 2.4 -0.7 76 88 A G E -dF 28 70A 0 -49,-2.7 -47,-3.6 -2,-0.3 2,-0.6 -0.519 23.1-142.0 -73.6 145.7 16.5 0.8 -2.2 77 89 A L E +d 29 0A 19 -8,-2.7 -12,-0.5 -49,-0.2 2,-0.3 -0.940 43.9 129.5-111.6 116.5 13.6 3.2 -2.4 78 90 A A E -d 30 0A 0 -49,-1.3 -47,-2.3 -2,-0.6 2,-0.5 -0.964 62.3-104.6-153.9 166.8 10.3 1.5 -1.6 79 91 A Y E -E 63 0A 0 -16,-3.1 -16,-2.2 -2,-0.3 2,-0.5 -0.871 42.9-149.7 -92.8 131.8 7.0 1.4 0.4 80 92 A I E -E 62 0A 0 -2,-0.5 7,-2.9 -18,-0.2 8,-0.6 -0.899 9.7-161.1-109.8 129.9 7.6 -1.2 3.1 81 93 A Y E -EG 61 86A 15 -20,-3.0 -20,-2.2 -2,-0.5 2,-0.5 -0.880 8.7-161.3-115.5 142.5 4.6 -3.2 4.4 82 94 A A E > S-EG 60 85A 7 3,-3.0 3,-1.8 -2,-0.4 -22,-0.2 -0.978 83.5 -22.5-123.4 109.7 4.3 -5.1 7.6 83 95 A D T 3 S- 0 0 87 -24,-2.7 -1,-0.1 -2,-0.5 -23,-0.1 0.916 130.0 -49.2 50.0 45.7 1.5 -7.7 7.6 84 96 A G T 3 S+ 0 0 49 -25,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.324 116.2 115.6 83.7 -6.4 -0.2 -5.7 4.9 85 97 A K E < -G 82 0A 117 -3,-1.8 -3,-3.0 4,-0.0 2,-0.5 -0.840 68.2-123.7 -97.5 131.7 0.1 -2.3 6.7 86 98 A M E > -G 81 0A 7 -2,-0.4 4,-2.4 -5,-0.2 -5,-0.2 -0.579 13.6-159.4 -81.2 120.0 2.3 0.3 5.1 87 99 A T H > S+ 0 0 1 -7,-2.9 4,-2.6 -2,-0.5 5,-0.3 0.887 91.7 57.9 -59.0 -43.7 5.1 1.5 7.5 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.936 111.7 41.3 -55.0 -51.6 5.5 4.8 5.6 89 101 A E H > S+ 0 0 60 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.912 112.4 54.6 -64.5 -41.1 1.9 5.7 6.1 90 102 A A H X S+ 0 0 3 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.884 106.5 50.9 -59.7 -43.0 1.8 4.5 9.7 91 103 A L H <>S+ 0 0 0 -4,-2.6 5,-2.3 2,-0.2 6,-0.8 0.931 114.0 44.6 -60.3 -44.6 4.8 6.7 10.7 92 104 A V H ><5S+ 0 0 0 -4,-1.7 3,-2.0 -5,-0.3 -2,-0.2 0.933 110.3 54.2 -69.0 -42.2 3.1 9.7 9.1 93 105 A R H 3<5S+ 0 0 73 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.807 109.7 49.4 -63.4 -28.9 -0.3 8.9 10.7 94 106 A Q T 3<5S- 0 0 73 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.348 114.7-115.0 -88.4 4.1 1.4 8.8 14.1 95 107 A G T < 5S+ 0 0 0 -3,-2.0 32,-2.3 2,-0.2 -3,-0.2 0.780 86.4 116.5 64.6 28.9 3.2 12.1 13.7 96 108 A L S - 0 0 153 -2,-1.2 3,-2.0 3,-0.4 -3,-0.0 -0.784 35.1-102.1 -93.9 136.4 10.2 13.5 -6.4 104 116 A K T 3 S+ 0 0 208 -2,-0.4 -1,-0.1 1,-0.2 0, 0.0 -0.223 107.5 24.9 -53.8 139.5 8.1 13.3 -9.6 105 117 A G T 3 S+ 0 0 35 -38,-0.1 -38,-0.4 1,-0.1 -39,-0.3 0.214 115.4 63.3 88.3 -22.6 7.7 9.8 -10.8 106 118 A N S < S+ 0 0 12 -3,-2.0 -3,-0.4 -40,-0.2 -74,-0.1 -0.460 77.9 95.3-118.5 59.3 8.2 8.1 -7.5 107 119 A N > + 0 0 55 -5,-0.1 3,-1.9 1,-0.1 4,-0.3 0.113 31.3 129.9-137.4 29.7 5.1 9.6 -5.9 108 120 A T T 3 S+ 0 0 70 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.874 82.2 39.5 -53.7 -44.1 2.2 7.1 -6.2 109 121 A H T 3> S+ 0 0 36 1,-0.2 4,-2.5 2,-0.1 -1,-0.3 0.152 82.6 115.4 -95.0 17.6 1.2 7.2 -2.5 110 122 A E H <> S+ 0 0 28 -3,-1.9 4,-2.7 1,-0.2 5,-0.2 0.940 78.5 40.6 -54.2 -51.4 1.7 10.9 -2.0 111 123 A Q H > S+ 0 0 132 -3,-0.4 4,-2.3 -4,-0.3 -1,-0.2 0.913 110.9 57.0 -85.2 -17.1 -1.8 11.9 -1.4 112 124 A L H > S+ 0 0 77 -4,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.936 113.2 44.3 -58.1 -47.2 -2.6 8.8 0.9 113 125 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.905 110.0 52.6 -66.9 -40.0 0.3 10.0 3.0 114 126 A R H X S+ 0 0 97 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.904 106.8 55.4 -60.1 -35.8 -0.7 13.7 3.0 115 127 A K H X S+ 0 0 150 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.947 109.2 46.8 -65.6 -39.1 -4.1 12.6 4.2 116 128 A A H X S+ 0 0 8 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.875 109.8 52.4 -67.4 -40.1 -2.5 10.8 7.1 117 129 A E H X S+ 0 0 26 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.935 107.1 53.9 -64.1 -38.8 -0.2 13.8 7.9 118 130 A A H X S+ 0 0 42 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.938 110.2 46.5 -59.1 -41.9 -3.4 16.0 8.0 119 131 A Q H X S+ 0 0 64 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.931 112.4 49.4 -72.9 -41.0 -5.0 13.8 10.5 120 132 A A H <>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 -1,-0.2 0.861 112.9 47.5 -56.4 -41.1 -1.8 13.5 12.7 121 133 A K H ><5S+ 0 0 98 -4,-2.4 3,-1.7 3,-0.2 -2,-0.2 0.923 109.0 54.4 -69.9 -43.0 -1.5 17.3 12.7 122 134 A K H 3<5S+ 0 0 140 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.892 111.8 44.8 -52.9 -44.9 -5.2 17.7 13.5 123 135 A E T 3<5S- 0 0 90 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.473 110.2-127.9 -79.4 -1.4 -4.6 15.4 16.5 124 136 A K T < 5 - 0 0 143 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.853 43.0-178.6 54.0 42.3 -1.4 17.3 17.4 125 137 A L > < - 0 0 44 -5,-2.5 3,-3.0 3,-0.1 -1,-0.2 -0.544 43.8 -57.1 -82.2 132.5 0.6 14.0 17.6 126 138 A N G > S+ 0 0 51 -2,-0.3 3,-2.1 1,-0.3 -30,-0.2 -0.147 134.8 28.1 53.2-106.2 4.2 13.9 18.4 127 139 A I G 3 S+ 0 0 41 -32,-2.3 -1,-0.3 1,-0.3 -31,-0.1 0.791 125.9 51.3 -54.8 -32.0 6.1 16.1 15.9 128 140 A W G < 0 0 52 -3,-3.0 -1,-0.3 -33,-0.1 -2,-0.2 0.243 360.0 360.0 -92.8 11.6 2.9 18.2 15.6 129 141 A S < 0 0 95 -3,-2.1 -4,-0.1 -4,-0.2 -5,-0.1 0.038 360.0 360.0 -93.2 360.0 2.5 18.7 19.3