==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-SEP-11 3TP6 . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.C.ROBINSON,J.L.SCHLESSMAN,B.GARCIA-MORENO E. . 130 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7414.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 68.5 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 . 33 25.4 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 1.5 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 . 7 5.4 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 . 28 21.5 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 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 1 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 6 A K 0 0 192 0, 0.0 2,-0.1 0, 0.0 108,-0.0 0.000 360.0 360.0 360.0 128.9 -0.4 0.0 -10.4 2 7 A L - 0 0 12 62,-0.0 2,-0.4 107,-0.0 64,-0.1 -0.475 360.0-136.4 -89.7 169.2 2.5 -1.0 -8.1 3 8 A H - 0 0 139 62,-0.4 62,-0.5 -2,-0.1 2,-0.2 -0.985 7.7-130.5-133.8 132.6 3.3 -4.5 -6.9 4 9 A K E -A 64 0A 83 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.578 27.3-169.4 -78.5 137.7 4.3 -5.8 -3.5 5 10 A E E -A 63 0A 42 58,-2.5 58,-2.8 -2,-0.2 2,-0.0 -0.965 24.1-100.5-124.8 153.6 7.4 -8.1 -3.4 6 11 A P E +A 62 0A 104 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.326 44.1 154.6 -72.2 155.1 8.8 -10.3 -0.7 7 12 A A E -AB 61 22A 11 54,-1.5 54,-0.7 15,-0.1 2,-0.4 -0.926 29.5-133.5-161.1 165.5 11.7 -9.4 1.6 8 13 A T E - B 0 21A 82 13,-1.5 13,-2.9 -2,-0.3 2,-0.2 -0.984 28.3-103.9-125.4 148.0 12.8 -10.5 5.0 9 14 A L E + B 0 20A 53 -2,-0.4 11,-0.3 11,-0.2 3,-0.1 -0.455 35.8 169.5 -66.1 128.5 13.9 -8.3 7.9 10 15 A I E - 0 0 74 9,-3.0 2,-0.3 1,-0.2 10,-0.2 0.772 68.5 -23.4 -95.3 -51.0 17.7 -8.4 8.5 11 16 A K E - B 0 19A 145 8,-2.1 8,-2.9 0, 0.0 -1,-0.2 -0.939 54.7-118.5-163.2 131.7 17.8 -5.5 11.0 12 17 A A E + B 0 18A 21 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.456 33.1 175.5 -58.5 141.2 15.9 -2.4 12.1 13 18 A I - 0 0 83 4,-1.1 2,-0.2 1,-0.4 5,-0.2 0.676 46.1 -50.0-114.9 -73.8 18.1 0.7 11.6 14 19 A D S S- 0 0 41 3,-1.7 -1,-0.4 33,-0.1 3,-0.3 -0.696 76.7 -48.4-149.0-151.7 16.3 3.9 12.4 15 20 A G S S+ 0 0 1 22,-0.2 23,-0.1 1,-0.2 77,-0.1 0.854 129.9 11.1 -64.1 -36.9 13.2 6.0 11.8 16 21 A D S S+ 0 0 7 20,-0.1 15,-2.5 18,-0.0 2,-0.3 0.216 117.2 68.1-134.4 15.8 13.0 5.7 8.0 17 22 A T E + C 0 30A 10 -3,-0.3 -3,-1.7 13,-0.2 -4,-1.1 -0.985 49.1 170.9-134.2 155.3 15.6 3.0 7.0 18 23 A V E -BC 12 29A 1 11,-1.9 11,-2.9 -2,-0.3 2,-0.6 -0.989 33.2-117.2-155.4 151.0 15.8 -0.7 7.6 19 24 A K E +BC 11 28A 70 -8,-2.9 -9,-3.0 -2,-0.3 -8,-2.1 -0.791 40.9 170.3 -97.4 122.5 18.0 -3.6 6.4 20 25 A L E -BC 9 27A 0 7,-2.4 7,-2.3 -2,-0.6 2,-0.6 -0.911 37.3-123.6-129.0 150.8 16.0 -6.2 4.4 21 26 A M E -BC 8 26A 80 -13,-2.9 -13,-1.5 -2,-0.3 2,-0.4 -0.899 36.9-179.4 -92.3 119.0 17.0 -9.2 2.4 22 27 A Y E > -BC 7 25A 22 3,-2.6 3,-2.1 -2,-0.6 -15,-0.1 -0.982 67.5 -8.4-129.5 132.2 15.5 -8.6 -1.1 23 28 A K T 3 S- 0 0 162 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.846 132.2 -56.6 39.4 41.2 15.9 -11.1 -4.0 24 29 A G T 3 S+ 0 0 48 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.537 117.7 106.4 83.4 3.2 18.3 -12.9 -1.7 25 30 A Q E < S-C 22 0A 125 -3,-2.1 -3,-2.6 -5,-0.0 -1,-0.2 -0.955 72.3-115.3-121.9 136.3 20.7 -9.9 -1.1 26 31 A P E +C 21 0A 78 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.449 44.6 167.2 -66.9 133.7 21.1 -7.6 1.9 27 32 A M E -C 20 0A 40 -7,-2.3 -7,-2.4 -2,-0.1 2,-0.5 -0.992 37.6-126.5-144.1 147.7 20.1 -4.0 1.2 28 33 A T E -C 19 0A 34 -2,-0.3 49,-2.9 47,-0.3 2,-0.4 -0.863 30.7-155.6 -86.6 127.4 19.4 -0.9 3.2 29 34 A F E -Cd 18 77A 0 -11,-2.9 -11,-1.9 -2,-0.5 2,-0.5 -0.912 6.2-157.2-103.9 135.3 15.9 0.5 2.3 30 35 A R E -Cd 17 78A 20 47,-3.9 49,-1.4 -2,-0.4 -13,-0.2 -0.955 28.5-115.8-109.3 124.6 15.0 4.1 2.7 31 36 A E E > - d 0 79A 3 -15,-2.5 3,-0.8 -2,-0.5 49,-0.2 -0.424 30.3-121.1 -61.4 127.4 11.2 4.7 2.9 32 37 A L T 3 S+ 0 0 11 47,-2.2 49,-0.1 1,-0.2 71,-0.1 -0.454 84.7 9.4 -62.8 147.2 9.7 6.8 0.1 33 38 A L T 3 S+ 0 0 2 69,-0.6 68,-1.8 1,-0.2 2,-0.3 0.430 106.0 96.6 69.7 11.9 7.9 10.1 0.7 34 39 A V E < -H 100 0B 0 -3,-0.8 2,-0.4 66,-0.3 66,-0.2 -0.865 48.2-163.6-133.0 158.6 8.8 10.5 4.4 35 40 A D E -H 99 0B 56 64,-2.0 64,-2.5 -2,-0.3 -3,-0.0 -0.971 11.3-166.7-136.2 126.3 11.3 12.2 6.7 36 41 A T - 0 0 2 -2,-0.4 62,-0.1 62,-0.2 -20,-0.1 -0.816 33.2 -98.4-103.5 154.3 11.8 11.2 10.4 37 42 A P - 0 0 15 0, 0.0 -22,-0.2 0, 0.0 11,-0.1 -0.303 46.2-105.5 -61.3 148.3 13.7 13.2 13.0 38 43 A E > - 0 0 90 1,-0.1 3,-2.3 -24,-0.1 6,-0.3 -0.428 40.0 -95.4 -69.3 160.2 17.3 12.1 13.6 39 50 A F T 3 S+ 0 0 136 1,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.779 125.1 49.9 -45.6 -32.4 17.9 10.1 16.8 40 51 A N T 3 S+ 0 0 146 4,-0.2 -1,-0.3 3,-0.1 2,-0.2 0.480 96.8 84.8 -91.2 -7.1 19.0 13.3 18.6 41 52 A E S X S- 0 0 98 -3,-2.3 3,-2.4 1,-0.1 0, 0.0 -0.550 99.1 -76.6 -94.6 161.4 16.1 15.4 17.6 42 53 A K T 3 S+ 0 0 166 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.336 121.7 10.5 -60.0 132.6 12.7 15.6 19.4 43 54 A Y T 3> S+ 0 0 44 -4,-0.1 4,-2.4 -3,-0.1 -1,-0.3 0.405 95.5 114.6 77.5 -2.8 10.7 12.4 18.4 44 55 A G H <> S+ 0 0 0 -3,-2.4 4,-2.1 -6,-0.3 -5,-0.2 0.950 78.4 43.9 -65.4 -48.0 13.8 10.8 16.8 45 56 A P H > S+ 0 0 45 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.889 114.0 51.9 -63.5 -38.6 14.0 8.0 19.3 46 57 A E H > S+ 0 0 95 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.874 108.9 49.7 -65.7 -41.5 10.2 7.5 19.2 47 58 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.934 111.4 48.5 -60.9 -46.8 10.2 7.2 15.4 48 59 A S H X S+ 0 0 19 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.903 113.4 48.2 -58.5 -44.0 13.0 4.6 15.4 49 60 A A H X S+ 0 0 54 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.870 109.8 52.0 -65.3 -41.8 11.2 2.6 18.0 50 61 A F H X S+ 0 0 57 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.951 113.4 42.6 -61.1 -51.0 7.9 2.8 16.1 51 62 A T H X S+ 0 0 3 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.915 114.0 53.5 -60.2 -45.4 9.5 1.5 12.9 52 63 A K H X S+ 0 0 99 -4,-2.4 4,-2.8 -5,-0.2 5,-0.3 0.934 110.0 45.9 -54.6 -54.9 11.5 -1.1 14.8 53 64 A K H X S+ 0 0 138 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.913 113.0 50.9 -56.9 -45.0 8.4 -2.5 16.5 54 65 A M H X S+ 0 0 23 -4,-2.2 4,-0.7 -5,-0.2 -1,-0.2 0.912 116.5 37.8 -64.9 -43.2 6.4 -2.6 13.4 55 66 A V H < S+ 0 0 4 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.854 116.8 50.9 -77.9 -36.2 9.1 -4.5 11.3 56 67 A E H < S+ 0 0 92 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.865 112.2 47.1 -65.6 -40.1 10.2 -6.8 14.1 57 68 A N H < S+ 0 0 98 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.629 89.3 109.2 -78.4 -16.8 6.6 -7.9 14.9 58 69 A A < - 0 0 17 -4,-0.7 3,-0.2 -5,-0.2 -49,-0.1 -0.407 52.9-161.8 -64.1 134.2 5.7 -8.5 11.2 59 70 A K S S+ 0 0 184 1,-0.3 2,-0.4 -2,-0.2 -1,-0.2 0.807 86.4 29.6 -77.6 -29.5 5.2 -12.1 10.1 60 71 A K - 0 0 115 -52,-0.1 24,-3.1 2,-0.0 2,-0.4 -0.991 67.7-166.4-139.4 121.7 5.6 -10.9 6.5 61 72 A I E -AE 7 83A 10 -54,-0.7 -54,-1.5 -2,-0.4 2,-0.3 -0.896 12.5-179.5-100.1 138.8 7.5 -7.9 5.2 62 73 A E E -AE 6 82A 31 20,-2.4 20,-3.1 -2,-0.4 2,-0.4 -0.971 14.5-151.2-133.6 152.3 7.0 -6.7 1.6 63 74 A V E -AE 5 81A 0 -58,-2.8 -58,-2.5 -2,-0.3 2,-0.4 -0.924 5.8-163.6-120.0 146.8 8.6 -3.9 -0.4 64 75 A E E -AE 4 80A 2 16,-2.0 16,-2.8 -2,-0.4 2,-0.2 -0.953 9.4-150.9-132.9 115.6 6.8 -2.0 -3.2 65 76 A F E - E 0 79A 10 -62,-0.5 -62,-0.4 -2,-0.4 14,-0.2 -0.500 13.4-133.5 -81.4 152.2 8.9 0.0 -5.6 66 77 A D - 0 0 4 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.082 35.2 -88.1 -89.0-163.0 7.4 3.1 -7.3 67 78 A K S S+ 0 0 132 39,-0.3 40,-0.2 -2,-0.0 3,-0.1 0.610 104.5 45.4 -82.5 -16.8 7.6 3.9 -11.0 68 79 A G S S- 0 0 34 38,-0.3 39,-0.1 1,-0.3 38,-0.1 0.227 106.2 -3.1-106.7-137.7 10.9 5.8 -10.9 69 80 A Q - 0 0 117 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.314 47.0-168.1 -69.9 136.3 14.3 5.3 -9.4 70 81 A R S S+ 0 0 127 1,-0.2 8,-2.2 -3,-0.1 2,-0.4 0.522 73.2 40.1-100.2 -13.3 14.6 2.2 -7.2 71 82 A T B S-F 77 0A 75 6,-0.3 6,-0.2 -42,-0.1 -1,-0.2 -0.999 76.8-137.5-133.0 141.5 18.0 3.0 -5.6 72 83 A D > - 0 0 21 4,-3.0 3,-1.9 -2,-0.4 -2,-0.1 -0.232 40.2 -86.2 -87.5-173.6 19.2 6.3 -4.4 73 84 A K T 3 S+ 0 0 178 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.649 128.5 53.5 -68.1 -10.7 22.6 8.0 -4.7 74 85 A Y T 3 S- 0 0 161 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.348 122.0-103.4-100.6 2.2 23.8 6.1 -1.6 75 86 A G S < S+ 0 0 53 -3,-1.9 2,-0.3 1,-0.3 -47,-0.3 0.607 73.4 146.9 83.8 7.1 22.8 2.7 -2.9 76 87 A R - 0 0 68 -49,-0.1 -4,-3.0 -47,-0.1 -1,-0.3 -0.666 52.6-119.1 -78.8 133.0 19.7 2.6 -0.7 77 88 A G E -dF 29 71A 0 -49,-2.9 -47,-3.9 -2,-0.3 2,-0.6 -0.468 23.8-144.9 -61.7 140.1 16.6 0.8 -2.0 78 89 A L E +d 30 0A 19 -8,-2.2 -12,-0.5 -49,-0.2 2,-0.3 -0.950 41.8 130.8-113.2 116.0 13.7 3.3 -2.3 79 90 A A E -dE 31 65A 0 -49,-1.4 -47,-2.2 -2,-0.6 2,-0.5 -0.949 62.4-103.8-152.4 162.6 10.3 1.6 -1.5 80 91 A Y E - E 0 64A 0 -16,-2.8 -16,-2.0 -2,-0.3 2,-0.5 -0.885 45.2-147.4 -86.5 128.1 7.1 1.6 0.3 81 92 A I E - E 0 63A 2 -2,-0.5 7,-3.2 -18,-0.2 8,-0.6 -0.856 11.9-162.2-106.6 133.2 7.6 -0.9 3.1 82 93 A Y E -GE 87 62A 16 -20,-3.1 -20,-2.4 -2,-0.5 2,-0.5 -0.938 10.4-164.4-119.2 138.5 4.7 -3.1 4.4 83 94 A A E > S-GE 86 61A 3 3,-2.7 3,-1.5 -2,-0.4 -22,-0.2 -0.959 84.5 -23.4-118.6 109.6 4.4 -5.1 7.6 84 95 A D T 3 S- 0 0 77 -24,-3.1 -1,-0.2 -2,-0.5 -23,-0.1 0.932 129.6 -49.2 52.6 47.5 1.6 -7.7 7.5 85 96 A G T 3 S+ 0 0 46 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.401 115.5 114.4 80.7 -6.9 -0.1 -5.6 4.8 86 97 A K E < S-G 83 0A 135 -3,-1.5 -3,-2.7 4,-0.0 2,-0.3 -0.887 70.1-120.4-103.9 126.6 0.2 -2.3 6.6 87 98 A M E > -G 82 0A 7 -2,-0.5 4,-2.1 -5,-0.2 -5,-0.3 -0.510 14.9-159.1 -69.8 123.4 2.4 0.4 5.1 88 99 A V H > S+ 0 0 1 -7,-3.2 4,-2.0 -2,-0.3 5,-0.2 0.881 92.4 56.4 -71.4 -36.9 5.1 1.4 7.6 89 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.951 113.4 39.5 -56.1 -50.8 5.6 4.8 5.7 90 101 A E H > S+ 0 0 62 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.872 110.5 57.8 -66.4 -45.0 1.9 5.7 6.2 91 102 A A H X S+ 0 0 25 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.899 108.3 46.7 -59.6 -41.5 1.6 4.4 9.7 92 103 A K H <>S+ 0 0 0 -4,-2.0 5,-2.6 2,-0.2 6,-0.7 0.923 112.7 48.9 -65.5 -45.3 4.4 6.6 11.0 93 104 A V H ><5S+ 0 0 0 -4,-1.7 3,-2.1 -5,-0.2 -2,-0.2 0.942 107.8 55.6 -61.4 -41.0 3.0 9.7 9.2 94 105 A R H 3<5S+ 0 0 62 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.808 108.8 47.8 -63.1 -25.9 -0.5 8.9 10.6 95 106 A Q T 3<5S- 0 0 78 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.264 116.6-112.3 -95.7 10.3 1.0 9.0 14.2 96 107 A G T < 5S+ 0 0 0 -3,-2.1 32,-2.3 2,-0.2 -3,-0.2 0.806 87.2 117.1 61.4 33.1 2.9 12.2 13.6 97 108 A L S - 0 0 152 -2,-1.1 3,-2.1 3,-0.4 -3,-0.0 -0.807 35.9 -97.3-100.0 141.1 10.1 13.6 -6.4 105 116 A K T 3 S+ 0 0 207 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.230 108.5 19.3 -54.9 133.6 8.1 13.5 -9.7 106 117 A G T 3 S+ 0 0 35 -38,-0.1 -38,-0.3 1,-0.0 -39,-0.3 0.410 116.2 67.1 79.8 -4.9 7.6 9.9 -10.8 107 118 A N S < S+ 0 0 14 -3,-2.1 -3,-0.4 -40,-0.2 -74,-0.2 -0.418 78.7 89.3-123.9 57.2 8.3 8.3 -7.5 108 119 A N > + 0 0 52 -5,-0.1 3,-2.0 1,-0.1 4,-0.3 0.118 33.7 131.0-142.3 29.2 5.2 9.7 -5.8 109 120 A T T 3 S+ 0 0 72 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.860 83.0 41.2 -50.6 -44.3 2.3 7.3 -6.3 110 121 A H T 3> S+ 0 0 34 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.162 81.1 111.5 -92.1 17.4 1.3 7.3 -2.6 111 122 A E H <> S+ 0 0 38 -3,-2.0 4,-2.6 1,-0.2 5,-0.2 0.949 79.4 44.5 -62.0 -48.6 1.8 11.1 -2.1 112 123 A Q H > S+ 0 0 127 -3,-0.3 4,-2.2 -4,-0.3 -1,-0.2 0.919 111.7 52.9 -65.5 -38.3 -1.9 11.9 -1.6 113 124 A L H > S+ 0 0 77 -4,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.917 113.1 44.9 -58.7 -45.4 -2.5 8.9 0.7 114 125 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.895 109.8 53.4 -71.1 -33.1 0.4 10.0 3.0 115 126 A R H X S+ 0 0 93 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.894 107.0 53.9 -70.6 -31.0 -0.7 13.7 3.0 116 127 A K H X S+ 0 0 130 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.958 108.5 49.0 -65.5 -40.2 -4.1 12.6 4.1 117 128 A A H X S+ 0 0 1 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.916 111.5 49.8 -63.7 -40.0 -2.5 10.7 7.0 118 129 A E H X S+ 0 0 26 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.918 106.3 54.8 -69.0 -41.8 -0.4 13.7 7.9 119 130 A A H X S+ 0 0 39 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.912 110.9 46.7 -52.1 -44.5 -3.4 16.0 7.9 120 131 A Q H X S+ 0 0 62 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.931 110.9 50.4 -69.8 -41.9 -5.1 13.7 10.4 121 132 A A H <>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 4,-0.2 0.873 113.5 47.1 -60.4 -37.4 -2.0 13.5 12.6 122 133 A K H ><5S+ 0 0 98 -4,-2.5 3,-1.3 3,-0.2 -2,-0.2 0.913 108.5 53.3 -71.4 -38.4 -1.8 17.3 12.6 123 134 A K H 3<5S+ 0 0 164 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.878 113.1 46.0 -60.0 -36.8 -5.5 17.7 13.4 124 135 A E T 3<5S- 0 0 104 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.461 107.7-129.5 -87.2 -1.7 -4.9 15.4 16.4 125 136 A K T < 5 + 0 0 138 -3,-1.3 2,-0.5 -4,-0.2 -3,-0.2 0.897 43.4 178.9 54.8 44.6 -1.8 17.3 17.4 126 137 A L > < - 0 0 42 -5,-2.5 3,-2.7 3,-0.1 2,-0.3 -0.680 45.1 -56.5 -88.3 129.3 0.1 14.0 17.6 127 138 A N G > S+ 0 0 53 -2,-0.5 3,-2.0 1,-0.3 -30,-0.1 -0.193 135.4 27.3 57.5-108.9 3.7 13.9 18.5 128 139 A I G 3 S+ 0 0 41 -32,-2.3 -1,-0.3 1,-0.3 -31,-0.1 0.869 127.7 49.2 -53.7 -34.3 5.6 16.1 16.1 129 140 A W G < 0 0 49 -3,-2.7 -1,-0.3 -33,-0.1 -2,-0.2 0.265 360.0 360.0 -88.8 9.7 2.4 18.1 15.7 130 141 A S < 0 0 97 -3,-2.0 -4,-0.1 -4,-0.2 -5,-0.1 -0.390 360.0 360.0 -78.0 360.0 1.9 18.4 19.4