==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-MAY-10 3MZ5 . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.A.CARO,J.L.SCHLESSMAN,E.B.GARCIA-MORENO,A.HEROUX . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7236.0 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 . 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 . 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 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 83 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 159.7 2.4 -0.7 -8.3 2 8 A H - 0 0 110 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.965 360.0-123.5-135.8 149.0 3.1 -4.1 -6.9 3 9 A K E -A 63 0A 89 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.610 27.4-170.7 -88.1 136.8 4.2 -5.7 -3.7 4 10 A E E -A 62 0A 23 58,-2.6 58,-2.9 -2,-0.3 2,-0.0 -0.956 26.6 -97.7-124.9 154.7 7.2 -7.9 -3.6 5 11 A P E +A 61 0A 104 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.320 44.1 157.1 -71.8 151.2 8.7 -10.1 -0.9 6 12 A A E -AB 60 21A 16 54,-1.6 54,-0.7 15,-0.1 2,-0.3 -0.941 27.6-138.3-157.2 165.0 11.5 -9.2 1.5 7 13 A T E - B 0 20A 89 13,-1.5 13,-3.3 -2,-0.3 2,-0.3 -0.965 29.5-105.0-126.7 148.2 12.6 -10.4 4.9 8 14 A L E + B 0 19A 49 -2,-0.3 11,-0.3 11,-0.2 3,-0.1 -0.523 35.0 170.5 -68.0 133.7 13.8 -8.1 7.8 9 15 A I E - 0 0 73 9,-2.7 2,-0.3 -2,-0.3 10,-0.2 0.740 68.2 -24.3-100.3 -50.4 17.6 -8.2 8.4 10 16 A K E - B 0 18A 147 8,-1.9 8,-3.0 44,-0.0 -1,-0.2 -0.938 54.4-117.3-162.9 138.3 17.7 -5.3 10.9 11 17 A A E + B 0 17A 18 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.371 31.5 173.7 -61.0 142.8 15.9 -2.2 12.0 12 18 A I E - 0 0 84 4,-1.1 2,-0.2 1,-0.5 5,-0.2 0.599 51.1 -44.8-118.5 -69.8 17.9 1.0 11.5 13 19 A D E > S- B 0 16A 24 3,-2.2 3,-0.6 33,-0.1 -1,-0.5 -0.764 74.8 -60.3-150.6-160.2 15.9 4.1 12.3 14 20 A G T 3 S+ 0 0 0 22,-0.4 77,-0.1 1,-0.2 23,-0.1 0.819 131.0 19.6 -66.0 -27.8 12.5 5.8 11.7 15 21 A D T 3 S+ 0 0 4 21,-0.1 15,-2.6 20,-0.1 2,-0.4 0.247 116.0 65.9-128.0 14.8 12.8 5.8 7.9 16 22 A T E < +BC 13 29A 12 -3,-0.6 -3,-2.2 13,-0.2 -4,-1.1 -0.998 50.5 170.8-137.0 145.0 15.5 3.3 7.0 17 23 A V E -BC 11 28A 2 11,-1.8 11,-3.5 -2,-0.4 2,-0.6 -0.991 30.8-125.8-147.7 146.5 15.5 -0.5 7.4 18 24 A K E +BC 10 27A 84 -8,-3.0 -9,-2.7 -2,-0.3 -8,-1.9 -0.841 39.4 170.4 -98.8 121.1 17.8 -3.3 6.2 19 25 A L E -BC 8 26A 0 7,-2.7 7,-2.4 -2,-0.6 2,-0.6 -0.948 38.2-119.9-125.1 156.0 16.0 -5.9 4.3 20 26 A M E +BC 7 25A 69 -13,-3.3 -13,-1.5 -2,-0.3 2,-0.4 -0.855 37.4 179.0 -90.7 123.3 16.8 -8.9 2.2 21 27 A Y E > -BC 6 24A 20 3,-2.8 3,-2.0 -2,-0.6 -15,-0.1 -0.986 69.0 -8.5-133.6 128.3 15.3 -8.3 -1.2 22 28 A K T 3 S- 0 0 146 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.846 131.4 -58.7 45.5 39.4 15.7 -10.9 -4.1 23 29 A G T 3 S+ 0 0 47 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.518 117.6 107.3 75.6 11.9 18.1 -12.6 -1.8 24 30 A Q E < S-C 21 0A 127 -3,-2.0 -3,-2.8 -5,-0.0 2,-0.2 -0.935 71.9-116.5-125.5 139.0 20.5 -9.6 -1.4 25 31 A P E +C 20 0A 72 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.543 43.4 165.0 -72.2 132.7 20.9 -7.4 1.7 26 32 A M E -C 19 0A 44 -7,-2.4 -7,-2.7 -2,-0.2 2,-0.5 -0.993 37.8-125.6-147.3 150.3 20.0 -3.8 1.1 27 33 A T E -C 18 0A 47 -2,-0.3 49,-2.4 47,-0.3 2,-0.4 -0.824 30.3-153.5 -92.4 130.6 19.2 -0.7 3.1 28 34 A F E -Cd 17 76A 0 -11,-3.5 -11,-1.8 -2,-0.5 2,-0.5 -0.863 5.8-154.8-107.5 133.1 15.8 0.7 2.2 29 35 A R E -Cd 16 77A 21 47,-3.5 49,-1.4 -2,-0.4 2,-0.2 -0.950 29.8-114.4-102.5 130.4 14.9 4.4 2.6 30 36 A L E > - d 0 78A 3 -15,-2.6 3,-1.0 -2,-0.5 49,-0.2 -0.433 31.7-120.1 -66.9 123.8 11.1 5.0 3.0 31 37 A L T 3 S+ 0 0 11 47,-2.4 49,-0.1 -2,-0.2 -1,-0.1 -0.389 85.1 7.1 -59.3 141.1 9.6 7.0 0.1 32 38 A L T 3 S+ 0 0 3 69,-0.5 68,-1.7 1,-0.2 2,-0.3 0.465 108.3 91.3 72.8 12.8 7.9 10.3 0.7 33 39 A V E < -H 99 0B 0 -3,-1.0 2,-0.3 66,-0.3 66,-0.2 -0.884 50.6-159.8-134.7 167.5 8.8 10.7 4.4 34 40 A D E -H 98 0B 54 64,-1.8 64,-2.4 -2,-0.3 3,-0.0 -0.930 9.5-169.4-145.2 118.8 11.3 12.1 6.8 35 41 A T - 0 0 2 -2,-0.3 62,-0.2 62,-0.2 -20,-0.1 -0.741 37.7 -95.9 -96.2 155.6 11.7 11.0 10.4 36 42 A P - 0 0 15 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.334 47.0-102.7 -60.9 149.5 13.9 12.9 12.8 37 43 A E > - 0 0 90 1,-0.1 3,-1.8 -24,-0.1 6,-0.3 -0.355 36.5-103.8 -69.2 155.3 17.5 11.6 13.2 38 50 A F T 3 S+ 0 0 137 1,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.876 122.9 55.4 -50.3 -38.9 18.0 9.5 16.3 39 51 A N T 3 S+ 0 0 140 4,-0.1 -1,-0.3 3,-0.1 2,-0.1 0.673 101.7 77.1 -69.9 -14.0 20.0 12.4 17.9 40 52 A E S X S- 0 0 98 -3,-1.8 3,-2.0 1,-0.1 2,-0.1 -0.365 99.5 -69.9 -95.9 167.1 16.9 14.8 17.4 41 53 A K T 3 S+ 0 0 157 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.374 122.1 7.3 -56.1 131.6 13.6 15.3 19.1 42 54 A Y T 3> S+ 0 0 43 -2,-0.1 4,-3.0 -4,-0.1 -1,-0.3 0.350 97.3 116.9 69.5 -1.4 11.2 12.3 18.4 43 55 A G H <> S+ 0 0 0 -3,-2.0 4,-2.7 -6,-0.3 5,-0.2 0.951 76.4 44.5 -55.7 -53.4 14.2 10.5 16.8 44 56 A P H > S+ 0 0 53 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.900 114.3 49.9 -59.8 -38.5 14.2 7.7 19.4 45 57 A E H > S+ 0 0 94 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.892 111.4 48.6 -69.9 -39.3 10.4 7.4 19.2 46 58 A A H X S+ 0 0 1 -4,-3.0 4,-2.3 2,-0.2 5,-0.2 0.914 111.5 49.4 -63.2 -46.1 10.4 7.2 15.5 47 59 A S H X S+ 0 0 17 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.926 112.3 48.6 -56.9 -44.0 13.1 4.6 15.5 48 60 A A H X S+ 0 0 57 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.914 110.0 52.3 -64.6 -38.5 11.2 2.6 18.0 49 61 A F H X S+ 0 0 52 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.940 113.7 40.6 -61.9 -55.9 8.0 2.8 16.1 50 62 A T H X S+ 0 0 6 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.891 113.7 55.3 -61.3 -41.3 9.4 1.6 12.8 51 63 A K H X S+ 0 0 96 -4,-2.5 4,-2.7 -5,-0.2 5,-0.3 0.925 110.0 45.6 -58.5 -46.6 11.4 -1.1 14.6 52 64 A K H X S+ 0 0 137 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.946 111.9 51.8 -65.1 -42.0 8.4 -2.5 16.3 53 65 A M H < S+ 0 0 29 -4,-2.3 4,-0.5 -5,-0.2 -1,-0.2 0.911 117.1 36.9 -60.0 -46.3 6.3 -2.5 13.2 54 66 A V H < S+ 0 0 4 -4,-2.4 3,-0.4 2,-0.2 -1,-0.2 0.881 117.5 50.2 -79.8 -32.0 8.9 -4.4 11.1 55 67 A E H < S+ 0 0 92 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.821 112.2 47.3 -73.3 -32.3 10.1 -6.8 13.8 56 68 A N S < S+ 0 0 99 -4,-2.2 -1,-0.2 -5,-0.3 2,-0.2 0.569 90.4 107.7 -83.3 -11.6 6.6 -7.8 14.8 57 69 A A - 0 0 17 -4,-0.5 3,-0.2 -3,-0.4 -49,-0.1 -0.482 53.3-162.5 -74.8 139.5 5.5 -8.4 11.1 58 70 A K S S+ 0 0 191 1,-0.3 2,-0.4 -2,-0.2 -1,-0.2 0.816 86.2 32.5 -80.9 -29.6 5.1 -11.9 9.9 59 71 A K - 0 0 118 -52,-0.1 24,-2.9 2,-0.0 2,-0.4 -0.984 67.7-169.1-136.0 115.7 5.3 -10.7 6.3 60 72 A I E -AE 6 82A 10 -54,-0.7 -54,-1.6 -2,-0.4 2,-0.3 -0.887 13.1-177.4-102.3 137.4 7.4 -7.7 5.0 61 73 A E E -AE 5 81A 27 20,-2.2 20,-2.9 -2,-0.4 2,-0.4 -0.970 15.0-148.4-132.2 149.0 6.8 -6.5 1.5 62 74 A V E -AE 4 80A 0 -58,-2.9 -58,-2.6 -2,-0.3 2,-0.4 -0.937 7.1-167.1-117.4 145.3 8.4 -3.8 -0.6 63 75 A E E -AE 3 79A 7 16,-2.1 16,-2.9 -2,-0.4 -60,-0.2 -0.950 9.4-152.9-131.4 112.9 6.7 -1.8 -3.3 64 76 A F - 0 0 11 -62,-0.5 -62,-0.4 -2,-0.4 14,-0.2 -0.470 14.0-134.4 -80.8 151.2 8.7 0.3 -5.7 65 77 A D - 0 0 6 12,-0.4 41,-0.1 3,-0.3 -1,-0.1 -0.161 36.5 -86.3 -86.1-164.1 7.2 3.3 -7.3 66 78 A K S S+ 0 0 157 39,-0.1 40,-0.2 -2,-0.1 3,-0.1 0.642 104.0 42.1 -78.1 -24.4 7.4 4.2 -11.0 67 79 A G S S+ 0 0 31 38,-0.4 39,-0.1 1,-0.3 38,-0.1 0.200 105.0 2.2-104.5-139.7 10.7 6.0 -11.0 68 80 A Q - 0 0 126 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.243 47.6-170.8 -57.6 129.7 14.2 5.7 -9.4 69 81 A R S S+ 0 0 115 1,-0.2 8,-2.2 -3,-0.1 2,-0.3 0.529 72.5 40.8-100.5 -15.0 14.5 2.5 -7.3 70 82 A T B S-F 76 0A 69 6,-0.3 6,-0.2 -42,-0.1 -1,-0.2 -0.988 76.7-140.9-130.9 140.6 17.9 3.3 -5.7 71 83 A D > - 0 0 23 4,-2.6 3,-1.9 -2,-0.3 -2,-0.1 -0.303 41.5 -85.5 -93.4-174.2 19.1 6.7 -4.4 72 84 A K T 3 S+ 0 0 177 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.597 128.4 54.8 -70.7 -11.0 22.6 8.2 -4.7 73 85 A Y T 3 S- 0 0 163 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.272 120.8-105.1 -98.9 3.3 23.7 6.4 -1.6 74 86 A G S < S+ 0 0 45 -3,-1.9 2,-0.3 1,-0.3 -47,-0.3 0.575 73.1 144.7 85.9 0.8 22.7 3.0 -2.9 75 87 A R - 0 0 66 -49,-0.1 -4,-2.6 1,-0.1 -1,-0.3 -0.626 54.4-115.8 -76.9 138.8 19.6 2.8 -0.7 76 88 A G E -dF 28 70A 0 -49,-2.4 -47,-3.5 -2,-0.3 2,-0.5 -0.462 24.5-146.1 -65.0 140.0 16.5 1.1 -2.1 77 89 A L E +d 29 0A 19 -8,-2.2 -12,-0.4 -49,-0.2 2,-0.3 -0.963 42.7 125.9-111.8 117.5 13.6 3.6 -2.3 78 90 A A E -d 30 0A 0 -49,-1.4 -47,-2.4 -2,-0.5 2,-0.5 -0.970 63.8-100.0-158.2 165.2 10.2 2.0 -1.6 79 91 A Y E -E 63 0A 0 -16,-2.9 -16,-2.1 -2,-0.3 2,-0.4 -0.860 43.5-149.9 -89.9 128.6 7.0 1.8 0.3 80 92 A I E -E 62 0A 1 -2,-0.5 7,-3.3 -18,-0.2 8,-0.6 -0.907 8.9-160.0-108.5 132.6 7.5 -0.8 2.9 81 93 A Y E -EG 61 86A 17 -20,-2.9 -20,-2.2 -2,-0.4 2,-0.5 -0.913 8.2-161.9-117.3 139.4 4.5 -2.9 4.2 82 94 A A E > S-EG 60 85A 8 3,-2.9 3,-1.9 -2,-0.4 -22,-0.2 -0.973 83.4 -25.6-120.5 109.7 4.2 -4.9 7.5 83 95 A D T 3 S- 0 0 88 -24,-2.9 -1,-0.1 -2,-0.5 -23,-0.1 0.904 129.9 -48.0 48.4 49.7 1.5 -7.5 7.4 84 96 A G T 3 S+ 0 0 51 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.335 115.5 114.5 82.6 -9.4 -0.2 -5.4 4.8 85 97 A K E < -G 82 0A 119 -3,-1.9 -3,-2.9 4,-0.0 2,-0.4 -0.850 69.5-121.0-100.3 131.6 0.1 -2.0 6.6 86 98 A M E > -G 81 0A 5 -2,-0.5 4,-2.3 -5,-0.2 -5,-0.3 -0.491 14.8-158.3 -75.1 119.9 2.2 0.6 5.0 87 99 A V H > S+ 0 0 1 -7,-3.3 4,-2.5 -2,-0.4 5,-0.3 0.912 92.3 55.2 -63.5 -43.2 5.0 1.7 7.3 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.933 112.1 42.8 -54.6 -51.5 5.5 5.0 5.5 89 101 A E H > S+ 0 0 59 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.897 113.2 52.5 -60.2 -45.3 1.8 5.9 6.0 90 102 A A H X S+ 0 0 4 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.897 107.2 50.5 -63.8 -39.2 1.7 4.7 9.6 91 103 A A H <>S+ 0 0 1 -4,-2.5 5,-2.3 2,-0.2 6,-0.8 0.923 113.4 46.8 -66.5 -42.2 4.7 6.7 10.7 92 104 A V H ><5S+ 0 0 0 -4,-1.7 3,-1.8 -5,-0.3 -2,-0.2 0.931 109.5 54.7 -63.5 -41.1 3.2 9.9 9.2 93 105 A R H 3<5S+ 0 0 74 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.808 107.3 51.2 -67.2 -27.2 -0.2 9.1 10.8 94 106 A Q T 3<5S- 0 0 75 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.388 114.5-114.9 -85.2 2.1 1.4 8.9 14.2 95 107 A G T < 5S+ 0 0 0 -3,-1.8 32,-2.2 2,-0.2 -3,-0.2 0.782 89.0 112.2 67.3 26.8 3.2 12.3 13.8 96 108 A L S - 0 0 150 -2,-1.3 3,-2.1 3,-0.4 -3,-0.0 -0.780 35.7 -92.5 -96.8 140.0 10.1 13.9 -6.3 104 116 A K T 3 S+ 0 0 209 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.098 108.7 12.4 -44.8 132.2 8.3 13.8 -9.6 105 117 A G T 3 S+ 0 0 37 1,-0.1 -38,-0.4 -38,-0.1 -1,-0.3 0.555 115.4 71.8 66.5 7.9 7.4 10.3 -10.7 106 118 A N S < S+ 0 0 12 -3,-2.1 -3,-0.4 -40,-0.2 -74,-0.1 -0.370 75.3 93.0-127.0 55.7 8.1 8.6 -7.4 107 119 A N > + 0 0 56 -5,-0.1 3,-2.0 1,-0.1 4,-0.3 0.135 33.9 129.2-135.1 28.6 5.1 10.1 -5.8 108 120 A T T 3 S+ 0 0 70 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.871 82.7 38.8 -54.0 -45.9 2.2 7.5 -6.3 109 121 A H T 3> S+ 0 0 36 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.222 81.6 112.3 -94.3 21.7 1.2 7.6 -2.6 110 122 A E H <> S+ 0 0 37 -3,-2.0 4,-2.6 1,-0.2 5,-0.2 0.928 78.8 45.9 -59.1 -47.5 1.7 11.3 -1.9 111 123 A Q H > S+ 0 0 132 -3,-0.4 4,-2.1 -4,-0.3 -1,-0.2 0.912 110.6 53.7 -68.1 -36.1 -2.0 12.2 -1.4 112 124 A L H > S+ 0 0 73 -4,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.932 113.4 44.2 -58.7 -47.3 -2.6 9.1 0.9 113 125 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.877 109.3 54.0 -71.1 -34.3 0.3 10.3 3.0 114 126 A R H X S+ 0 0 94 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.875 106.4 54.6 -66.3 -30.0 -0.7 13.9 3.1 115 127 A K H X S+ 0 0 148 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.932 108.8 47.9 -69.9 -38.0 -4.1 12.9 4.3 116 128 A A H X S+ 0 0 7 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.857 110.4 51.4 -67.9 -41.1 -2.4 11.0 7.2 117 129 A E H X S+ 0 0 22 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.936 107.1 54.2 -62.8 -37.4 -0.3 14.0 8.0 118 130 A A H X S+ 0 0 37 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.937 110.4 45.8 -63.9 -44.0 -3.3 16.2 8.1 119 131 A Q H X S+ 0 0 76 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.924 112.9 50.1 -66.4 -41.0 -5.0 13.9 10.6 120 132 A A H <>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 -1,-0.2 0.884 110.8 49.9 -58.3 -43.0 -1.8 13.7 12.7 121 133 A K H ><5S+ 0 0 86 -4,-2.9 3,-1.3 1,-0.2 -2,-0.2 0.890 108.9 52.6 -62.0 -42.0 -1.6 17.5 12.7 122 134 A K H 3<5S+ 0 0 139 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.864 109.6 47.9 -64.1 -37.3 -5.2 17.8 13.8 123 135 A E T 3<5S- 0 0 91 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.444 108.6-127.6 -79.5 -0.0 -4.6 15.5 16.7 124 136 A K T < 5 - 0 0 138 -3,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.919 43.9-177.0 49.8 49.1 -1.5 17.5 17.6 125 137 A L > < - 0 0 42 -5,-2.3 3,-2.7 3,-0.1 2,-0.2 -0.648 42.3 -59.1 -87.2 129.3 0.5 14.2 17.7 126 138 A N G > S+ 0 0 49 -2,-0.4 3,-2.1 1,-0.3 -30,-0.2 -0.183 134.7 27.5 53.1-103.9 4.2 14.0 18.6 127 139 A I G 3 S+ 0 0 43 -32,-2.2 -1,-0.3 1,-0.3 -31,-0.1 0.822 127.5 49.0 -58.7 -31.5 6.0 16.3 16.1 128 140 A W G < 0 0 54 -3,-2.7 -1,-0.3 -33,-0.2 -2,-0.2 0.310 360.0 360.0 -91.1 7.5 2.9 18.3 15.8 129 141 A S < 0 0 99 -3,-2.1 -4,-0.1 -4,-0.2 -5,-0.1 -0.570 360.0 360.0 -86.0 360.0 2.4 18.6 19.6