==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-MAY-13 4KY6 . 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) . 7218.0 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 . 32 24.8 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 1.6 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 . 12 9.3 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 0 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 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 78 0, 0.0 2,-0.3 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 152.4 2.4 -1.1 -8.2 2 8 A H - 0 0 117 62,-0.4 62,-0.5 63,-0.1 2,-0.2 -1.000 360.0-118.6-141.3 147.6 2.9 -4.5 -6.8 3 9 A K - 0 0 83 -2,-0.3 60,-0.2 60,-0.2 77,-0.1 -0.540 28.0-168.6 -78.2 140.9 4.2 -6.1 -3.6 4 10 A E E -A 62 0A 21 58,-2.5 58,-2.9 -2,-0.2 2,-0.0 -0.959 27.2 -98.0-123.7 151.7 7.2 -8.4 -3.7 5 11 A P E +A 61 0A 103 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.312 45.2 156.0 -68.9 151.0 8.6 -10.6 -1.0 6 12 A A E -AB 60 21A 12 54,-1.6 54,-0.6 15,-0.1 2,-0.4 -0.944 29.3-135.1-155.6 170.2 11.4 -9.8 1.4 7 13 A T E - B 0 20A 82 13,-1.5 13,-3.1 -2,-0.3 2,-0.3 -0.981 30.4-106.8-130.2 139.1 12.6 -10.9 4.8 8 14 A L E + B 0 19A 46 -2,-0.4 11,-0.3 11,-0.2 3,-0.1 -0.517 34.1 173.0 -59.1 131.8 13.8 -8.6 7.6 9 15 A I E - 0 0 66 9,-3.0 2,-0.3 -2,-0.3 10,-0.2 0.835 69.8 -22.3 -94.0 -50.1 17.5 -8.7 8.2 10 16 A K E - B 0 18A 139 8,-2.0 8,-3.2 0, 0.0 -1,-0.3 -0.942 54.1-124.9-162.5 125.5 17.6 -5.8 10.7 11 17 A A E + B 0 17A 18 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.536 31.3 179.7 -62.6 143.5 15.6 -2.8 11.7 12 18 A I - 0 0 87 4,-1.7 2,-0.2 1,-0.5 5,-0.2 0.639 51.2 -36.9-110.8 -71.4 18.0 0.2 11.4 13 19 A D S S- 0 0 21 3,-1.7 -1,-0.5 33,-0.1 3,-0.4 -0.676 79.1 -63.5-144.9-162.0 16.1 3.4 12.3 14 20 A G S S+ 0 0 0 22,-0.4 23,-0.1 1,-0.2 77,-0.1 0.848 132.0 19.7 -63.7 -27.7 12.7 5.0 11.9 15 21 A D S S+ 0 0 3 21,-0.1 15,-2.5 20,-0.1 2,-0.3 0.215 115.3 69.9-127.4 4.9 12.9 5.1 8.1 16 22 A T E + C 0 29A 11 -3,-0.4 -3,-1.7 13,-0.2 -4,-1.7 -0.999 50.1 171.7-123.4 139.4 15.6 2.6 7.1 17 23 A V E -BC 11 28A 0 11,-1.9 11,-3.6 -2,-0.3 2,-0.6 -0.991 28.8-133.1-143.5 139.3 15.4 -1.3 7.4 18 24 A K E +BC 10 27A 79 -8,-3.2 -9,-3.0 -2,-0.3 -8,-2.0 -0.915 37.6 169.4 -95.5 118.7 17.8 -3.9 6.1 19 25 A D E -BC 8 26A 0 7,-2.7 7,-2.4 -2,-0.6 2,-0.6 -0.933 38.9-117.5-122.8 156.6 15.9 -6.6 4.2 20 26 A M E -BC 7 25A 80 -13,-3.1 -13,-1.5 -2,-0.3 2,-0.4 -0.852 37.5-176.8 -90.2 129.7 16.9 -9.5 2.1 21 27 A Y E > -BC 6 24A 17 3,-3.0 3,-2.2 -2,-0.6 -15,-0.1 -0.989 67.6 -10.1-135.6 128.1 15.3 -8.9 -1.4 22 28 A K T 3 S- 0 0 149 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.869 131.8 -55.3 44.5 40.2 15.6 -11.4 -4.3 23 29 A G T 3 S+ 0 0 51 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.491 119.4 102.2 81.3 1.5 18.1 -13.2 -2.1 24 30 A Q E < S-C 21 0A 126 -3,-2.2 -3,-3.0 -5,-0.0 -1,-0.2 -0.930 72.2-116.0-120.5 141.5 20.5 -10.2 -1.5 25 31 A P E +C 20 0A 77 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.478 42.2 164.6 -68.7 141.0 20.8 -8.0 1.5 26 32 A M E -C 19 0A 38 -7,-2.4 -7,-2.7 -2,-0.2 2,-0.5 -0.962 37.4-123.1-158.0 150.9 19.9 -4.4 1.0 27 33 A T E -C 18 0A 45 -2,-0.3 49,-2.5 -9,-0.2 2,-0.4 -0.750 29.1-154.9 -88.4 122.0 19.1 -1.4 3.0 28 34 A F E -Cd 17 76A 0 -11,-3.6 -11,-1.9 -2,-0.5 2,-0.5 -0.884 6.3-157.6 -98.8 134.9 15.8 0.1 2.2 29 35 A R E -Cd 16 77A 19 47,-3.6 49,-1.4 -2,-0.4 2,-0.2 -0.935 31.0-116.0-104.4 126.9 14.9 3.8 2.7 30 36 A L E > - d 0 78A 1 -15,-2.5 3,-1.0 -2,-0.5 49,-0.2 -0.449 30.9-117.7 -68.2 129.6 11.1 4.3 3.0 31 37 A L T 3 S+ 0 0 10 47,-2.5 49,-0.1 -2,-0.2 -1,-0.1 -0.355 84.9 6.8 -60.5 145.3 9.6 6.4 0.3 32 38 A L T 3 S+ 0 0 2 69,-0.5 68,-1.6 1,-0.2 2,-0.3 0.507 107.5 91.6 69.9 12.4 7.9 9.7 0.9 33 39 A V E < -H 99 0B 0 -3,-1.0 2,-0.4 66,-0.3 66,-0.2 -0.888 51.2-159.4-135.4 164.3 8.8 10.1 4.6 34 40 A D E -H 98 0B 54 64,-1.6 64,-2.3 -2,-0.3 3,-0.0 -0.926 10.0-168.7-141.0 114.5 11.3 11.5 7.0 35 41 A T - 0 0 1 -2,-0.4 62,-0.2 62,-0.2 -20,-0.1 -0.700 37.2 -96.4 -89.8 156.0 11.7 10.2 10.5 36 42 A P - 0 0 16 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.369 46.8-101.0 -60.8 146.4 13.9 12.2 13.0 37 43 A E > - 0 0 85 1,-0.1 3,-2.3 -24,-0.1 6,-0.2 -0.344 36.8-104.3 -58.9 153.1 17.5 10.8 13.3 38 50 A F T 3 S+ 0 0 130 1,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.838 123.4 56.4 -48.3 -37.6 18.0 8.7 16.4 39 51 A N T 3 S+ 0 0 131 4,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.543 99.3 80.5 -70.5 -8.8 19.9 11.6 18.0 40 52 A E S X S- 0 0 100 -3,-2.3 3,-2.3 1,-0.1 0, 0.0 -0.576 98.7 -76.6-103.9 163.7 16.8 13.9 17.6 41 53 A K T 3 S+ 0 0 154 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.346 121.1 9.2 -57.9 131.5 13.6 14.4 19.5 42 54 A Y T 3> S+ 0 0 44 -4,-0.1 4,-2.7 -3,-0.1 -1,-0.3 0.392 98.2 112.7 78.3 -9.2 11.2 11.4 18.6 43 55 A G H <> S+ 0 0 0 -3,-2.3 4,-2.3 -6,-0.2 -5,-0.2 0.941 76.6 45.1 -62.0 -47.7 14.0 9.7 16.8 44 56 A P H > S+ 0 0 47 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.900 113.9 51.3 -62.5 -35.7 14.2 6.9 19.3 45 57 A E H > S+ 0 0 97 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.880 109.7 49.6 -67.9 -39.4 10.4 6.5 19.3 46 58 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.910 111.5 48.6 -61.4 -44.3 10.4 6.4 15.5 47 59 A S H X S+ 0 0 17 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.929 113.0 47.8 -61.2 -38.7 13.1 3.7 15.5 48 60 A A H X S+ 0 0 57 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.853 110.9 51.9 -70.9 -39.0 11.3 1.7 18.1 49 61 A F H X S+ 0 0 58 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.959 113.9 41.5 -64.8 -49.5 8.0 2.0 16.2 50 62 A T H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.916 114.1 54.4 -63.1 -42.0 9.4 0.8 12.9 51 63 A K H X S+ 0 0 96 -4,-2.6 4,-2.6 -5,-0.2 5,-0.3 0.927 111.4 43.3 -61.0 -47.9 11.4 -2.0 14.6 52 64 A K H X S+ 0 0 140 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.946 113.3 52.4 -67.7 -40.3 8.4 -3.4 16.4 53 65 A M H X S+ 0 0 28 -4,-2.3 4,-0.7 -5,-0.2 -2,-0.2 0.941 117.6 35.8 -59.5 -45.7 6.3 -3.2 13.3 54 66 A V H < S+ 0 0 2 -4,-2.7 -1,-0.2 1,-0.2 -46,-0.2 0.810 118.5 49.6 -78.1 -31.2 8.8 -5.1 11.0 55 67 A E H < S+ 0 0 96 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.750 111.7 48.9 -78.2 -30.1 10.0 -7.6 13.7 56 68 A N H < S+ 0 0 111 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.689 89.9 104.3 -83.1 -18.5 6.5 -8.5 14.7 57 69 A A < - 0 0 19 -4,-0.7 3,-0.2 -5,-0.2 -3,-0.0 -0.346 57.5-156.0 -69.2 138.1 5.3 -9.1 11.1 58 70 A K S S+ 0 0 189 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.789 88.5 32.0 -69.7 -32.6 4.9 -12.6 9.8 59 71 A K - 0 0 110 -52,-0.1 24,-2.8 2,-0.0 2,-0.4 -0.960 65.8-167.8-136.6 117.8 5.3 -11.2 6.3 60 72 A I E -AE 6 82A 11 -54,-0.6 -54,-1.6 -2,-0.4 2,-0.3 -0.869 14.8-176.7 -99.6 136.1 7.4 -8.3 5.1 61 73 A E E -AE 5 81A 29 20,-2.1 20,-2.9 -2,-0.4 2,-0.4 -0.973 14.9-147.9-127.5 151.6 6.8 -7.0 1.5 62 74 A V E -AE 4 80A 0 -58,-2.9 -58,-2.5 -2,-0.3 2,-0.4 -0.926 8.1-169.3-112.9 145.7 8.5 -4.3 -0.6 63 75 A E E - E 0 79A 7 16,-2.2 16,-3.0 -2,-0.4 2,-0.2 -0.958 9.4-156.6-133.6 113.6 6.7 -2.2 -3.2 64 76 A F E - E 0 78A 11 -62,-0.5 -62,-0.4 -2,-0.4 14,-0.2 -0.503 15.1-129.6 -85.5 160.4 8.8 -0.1 -5.5 65 77 A D - 0 0 5 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.104 34.8 -86.3 -94.4-162.0 7.3 2.9 -7.2 66 78 A K S S+ 0 0 166 39,-0.2 40,-0.2 -2,-0.1 3,-0.1 0.527 104.9 35.0 -85.3 -9.3 7.4 3.8 -10.9 67 79 A G S S+ 0 0 36 1,-0.3 39,-0.1 38,-0.1 38,-0.1 0.047 106.8 11.3-120.7-138.3 10.8 5.7 -11.0 68 80 A Q - 0 0 138 1,-0.1 -1,-0.3 -2,-0.1 -3,-0.3 -0.138 47.6-173.4 -47.4 129.5 14.1 5.4 -9.2 69 81 A R S S+ 0 0 111 1,-0.2 8,-2.4 -3,-0.1 2,-0.4 0.620 72.6 37.8-100.7 -14.7 14.5 2.1 -7.2 70 82 A T B S-F 76 0A 72 6,-0.3 6,-0.2 -42,-0.1 -1,-0.2 -0.972 75.8-139.6-128.4 146.9 17.8 3.0 -5.6 71 83 A D > - 0 0 33 4,-2.8 3,-2.2 -2,-0.4 -2,-0.0 -0.337 42.5 -85.0 -91.8-174.5 19.0 6.3 -4.3 72 84 A K T 3 S+ 0 0 181 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.614 129.3 55.0 -68.4 -13.7 22.5 7.8 -4.6 73 85 A Y T 3 S- 0 0 162 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.407 120.2-108.0 -96.1 2.1 23.7 5.9 -1.5 74 86 A G S < S+ 0 0 51 -3,-2.2 2,-0.3 1,-0.3 -47,-0.2 0.585 72.1 145.4 77.4 11.8 22.6 2.5 -3.1 75 87 A R - 0 0 66 -49,-0.1 -4,-2.8 1,-0.1 -1,-0.3 -0.677 54.2-115.5 -78.8 138.2 19.6 2.3 -0.7 76 88 A G E -dF 28 70A 0 -49,-2.5 -47,-3.6 -2,-0.3 2,-0.6 -0.429 23.0-143.3 -66.9 144.2 16.4 0.7 -2.1 77 89 A L E +d 29 0A 24 -8,-2.4 -12,-0.5 -49,-0.2 2,-0.3 -0.958 43.2 130.5-116.5 114.9 13.5 3.1 -2.3 78 90 A A E -dE 30 64A 0 -49,-1.4 -47,-2.5 -2,-0.6 2,-0.5 -0.964 61.1-106.6-152.6 162.4 10.3 1.4 -1.5 79 91 A Y E - E 0 63A 0 -16,-3.0 -16,-2.2 -2,-0.3 2,-0.4 -0.868 42.5-149.7 -88.5 129.9 7.0 1.3 0.4 80 92 A I E - E 0 62A 0 -2,-0.5 7,-2.9 -18,-0.2 8,-0.6 -0.904 8.9-159.9-110.3 136.7 7.4 -1.4 3.0 81 93 A Y E -GE 86 61A 17 -20,-2.9 -20,-2.1 -2,-0.4 2,-0.6 -0.925 8.2-161.8-116.8 137.1 4.5 -3.5 4.3 82 94 A A E > S-GE 85 60A 8 3,-2.9 3,-1.9 -2,-0.4 -22,-0.2 -0.959 84.4 -24.7-120.1 113.2 4.2 -5.5 7.5 83 95 A D T 3 S- 0 0 87 -24,-2.8 -1,-0.2 -2,-0.6 -23,-0.1 0.908 130.0 -48.1 41.9 48.8 1.4 -8.1 7.4 84 96 A G T 3 S+ 0 0 50 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.350 115.5 114.6 87.5 -6.9 -0.3 -5.9 4.7 85 97 A K E < -G 82 0A 114 -3,-1.9 -3,-2.9 4,-0.0 2,-0.5 -0.848 69.2-121.5-101.5 131.9 0.0 -2.6 6.6 86 98 A M E > -G 81 0A 6 -2,-0.5 4,-2.4 -5,-0.2 -5,-0.3 -0.539 14.2-158.6 -78.2 119.6 2.2 0.1 5.1 87 99 A V H > S+ 0 0 1 -7,-2.9 4,-2.6 -2,-0.5 5,-0.3 0.918 92.4 56.6 -58.6 -47.1 5.0 1.1 7.5 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.938 111.7 42.6 -51.6 -49.2 5.5 4.5 5.7 89 101 A E H > S+ 0 0 60 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.922 111.9 53.6 -64.7 -41.8 1.8 5.3 6.3 90 102 A A H X S+ 0 0 2 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.875 107.4 50.7 -62.0 -44.9 1.8 4.1 9.8 91 103 A L H <>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 6,-0.8 0.956 114.1 44.7 -59.3 -45.5 4.7 6.2 10.8 92 104 A V H ><5S+ 0 0 0 -4,-1.8 3,-1.8 -5,-0.3 -2,-0.2 0.910 109.8 55.4 -64.5 -40.1 3.1 9.3 9.3 93 105 A R H 3<5S+ 0 0 76 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.812 109.3 47.9 -66.0 -26.5 -0.3 8.5 10.9 94 106 A Q T 3<5S- 0 0 74 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.305 115.2-113.7 -92.9 5.0 1.4 8.4 14.4 95 107 A G T < 5S+ 0 0 0 -3,-1.8 32,-2.4 2,-0.2 -3,-0.2 0.824 86.9 117.3 67.1 26.2 3.2 11.7 13.9 96 108 A L S - 0 0 155 -2,-1.1 3,-1.8 3,-0.4 -3,-0.0 -0.829 35.6 -95.6-100.4 145.0 10.0 13.5 -6.0 104 116 A K T 3 S+ 0 0 207 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.184 107.2 16.9 -55.8 136.0 8.1 13.4 -9.3 105 117 A G T 3 S+ 0 0 36 1,-0.1 -1,-0.3 -38,-0.1 -39,-0.2 0.480 116.0 67.5 72.3 -0.7 7.4 9.9 -10.6 106 118 A N S < S+ 0 0 13 -3,-1.8 -3,-0.4 -40,-0.2 -74,-0.1 -0.419 77.3 91.6-125.1 61.2 8.1 8.1 -7.3 107 119 A N > + 0 0 54 -5,-0.1 3,-2.0 1,-0.1 4,-0.3 0.083 34.0 132.7-140.9 35.2 5.1 9.6 -5.6 108 120 A T T 3 S+ 0 0 76 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.862 81.0 40.4 -58.3 -40.6 2.2 7.1 -6.1 109 121 A H T 3> S+ 0 0 37 1,-0.2 4,-2.1 2,-0.1 -1,-0.3 0.155 81.3 113.5-100.0 22.4 1.1 7.1 -2.4 110 122 A E H <> S+ 0 0 37 -3,-2.0 4,-3.1 1,-0.2 5,-0.2 0.942 77.0 45.2 -57.8 -51.6 1.6 10.8 -1.7 111 123 A Q H > S+ 0 0 129 -3,-0.3 4,-2.6 -4,-0.3 -1,-0.2 0.914 111.1 54.0 -66.2 -34.5 -2.0 11.7 -1.2 112 124 A L H > S+ 0 0 75 -4,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.941 113.6 44.0 -56.4 -50.0 -2.6 8.6 1.1 113 125 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.912 111.8 51.3 -65.4 -40.4 0.3 9.8 3.2 114 126 A R H X S+ 0 0 91 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.870 107.6 53.8 -62.6 -36.9 -0.7 13.4 3.3 115 127 A K H X S+ 0 0 154 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.938 110.4 47.4 -64.7 -43.5 -4.2 12.4 4.4 116 128 A A H X S+ 0 0 7 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.903 110.2 52.7 -62.6 -45.0 -2.5 10.5 7.3 117 129 A E H X S+ 0 0 19 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.918 105.6 53.6 -57.2 -43.0 -0.3 13.5 8.1 118 130 A A H X S+ 0 0 39 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.898 110.1 47.3 -58.9 -40.9 -3.3 15.8 8.3 119 131 A Q H X S+ 0 0 64 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.919 110.8 51.5 -72.1 -39.8 -5.0 13.4 10.8 120 132 A A H <>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 4,-0.3 0.903 111.8 48.5 -54.0 -43.7 -1.7 13.1 12.9 121 133 A K H ><5S+ 0 0 89 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.901 108.4 52.3 -66.5 -41.1 -1.6 16.9 13.0 122 134 A K H 3<5S+ 0 0 143 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.886 111.8 47.6 -61.5 -39.8 -5.2 17.2 14.0 123 135 A E T 3<5S- 0 0 81 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.474 106.4-132.5 -81.0 -1.3 -4.5 14.8 16.9 124 136 A K T < 5 + 0 0 144 -3,-1.2 2,-0.4 -4,-0.3 -3,-0.2 0.870 42.7 179.4 54.0 40.4 -1.4 16.8 17.8 125 137 A L > < - 0 0 44 -5,-2.3 3,-2.5 4,-0.1 2,-0.3 -0.632 43.5 -54.7 -86.9 134.5 0.5 13.5 17.9 126 138 A N G > S+ 0 0 50 -2,-0.4 3,-2.1 1,-0.3 -30,-0.2 -0.279 135.8 27.0 51.1-108.7 4.2 13.2 18.7 127 139 A I G 3 S+ 0 0 41 -32,-2.4 -1,-0.3 -2,-0.3 -31,-0.1 0.843 124.5 54.0 -50.7 -35.8 6.1 15.5 16.2 128 140 A W G < 0 0 52 -3,-2.5 -1,-0.3 -33,-0.1 -2,-0.2 0.208 360.0 360.0 -87.4 18.4 2.9 17.6 16.0 129 141 A S < 0 0 104 -3,-2.1 -2,-0.1 -4,-0.2 -4,-0.1 0.547 360.0 360.0-110.5 360.0 2.8 18.1 19.8