==== 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 3TP8 . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.C.ROBINSON,J.L.SCHLESSMAN,A.HEROUX,B.GARCIA-MORENO E. . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7255.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 86 66.7 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 . 5 3.9 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 63 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 164.6 2.4 -19.5 -8.1 2 8 A H - 0 0 155 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.975 360.0-130.8-132.5 136.8 3.2 -23.0 -6.8 3 9 A K E -A 63 0A 89 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.650 27.2-169.8 -85.8 137.0 4.3 -24.2 -3.4 4 10 A E E -A 62 0A 47 58,-2.8 58,-2.9 -2,-0.3 2,-0.0 -0.921 26.1 -95.9-125.3 157.1 7.4 -26.6 -3.4 5 11 A P E +A 61 0A 103 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.299 44.8 157.4 -75.5 149.3 8.8 -28.7 -0.6 6 12 A A E -AB 60 21A 12 54,-1.7 54,-0.7 15,-0.1 2,-0.3 -0.937 26.6-139.0-152.5 166.5 11.6 -27.7 1.7 7 13 A T E - B 0 20A 81 13,-1.5 13,-3.3 -2,-0.3 2,-0.2 -0.970 30.3-101.1-129.1 149.6 12.8 -28.8 5.2 8 14 A L E + B 0 19A 54 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.433 36.6 168.9 -66.4 127.6 14.1 -26.6 8.1 9 15 A I E - 0 0 70 9,-2.8 2,-0.3 1,-0.2 10,-0.2 0.748 68.6 -27.3 -96.4 -53.8 17.8 -26.4 8.6 10 16 A K E - B 0 18A 114 8,-1.7 8,-3.1 0, 0.0 -1,-0.2 -0.969 54.3-115.3-165.4 132.8 17.9 -23.5 11.1 11 17 A A E + B 0 17A 21 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.455 32.5 175.4 -58.1 138.6 16.0 -20.4 12.1 12 18 A I E - 0 0 81 4,-1.1 2,-0.2 1,-0.5 5,-0.2 0.597 52.1 -47.2-112.2 -68.3 18.1 -17.3 11.4 13 19 A D E > S- B 0 16A 23 3,-2.0 3,-0.6 33,-0.1 -1,-0.5 -0.768 75.1 -59.8-154.6-165.6 16.1 -14.1 12.2 14 20 A G T 3 S+ 0 0 0 22,-0.3 77,-0.1 1,-0.2 23,-0.1 0.855 131.0 20.6 -57.9 -37.1 12.6 -12.6 11.6 15 21 A D T 3 S+ 0 0 3 21,-0.1 15,-2.6 20,-0.1 2,-0.4 0.297 116.7 64.6-120.4 12.9 12.8 -12.6 7.8 16 22 A T E < +BC 13 29A 9 -3,-0.6 -3,-2.0 13,-0.2 -4,-1.1 -0.995 51.5 171.7-134.9 143.6 15.6 -15.1 7.0 17 23 A V E -BC 11 28A 0 11,-2.1 11,-3.1 -2,-0.4 2,-0.6 -0.994 31.7-124.0-146.9 145.8 15.7 -18.9 7.5 18 24 A K E +BC 10 27A 71 -8,-3.1 -9,-2.8 -2,-0.3 -8,-1.7 -0.826 41.0 169.6 -94.1 120.7 18.0 -21.7 6.4 19 25 A L E -BC 8 26A 0 7,-2.7 7,-2.3 -2,-0.6 2,-0.6 -0.924 38.3-121.2-126.0 153.8 16.1 -24.4 4.5 20 26 A M E -BC 7 25A 77 -13,-3.3 -13,-1.5 -2,-0.3 2,-0.4 -0.899 35.8-179.2 -93.8 123.4 17.0 -27.4 2.4 21 27 A Y E > -BC 6 24A 15 3,-2.6 3,-1.9 -2,-0.6 -15,-0.1 -0.993 69.8 -8.8-128.6 122.5 15.4 -26.9 -1.0 22 28 A K T 3 S- 0 0 148 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.853 131.6 -58.1 54.0 35.8 15.8 -29.6 -3.8 23 29 A G T 3 S+ 0 0 46 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.547 117.1 107.6 78.3 13.1 18.2 -31.2 -1.4 24 30 A Q E < S-C 21 0A 125 -3,-1.9 -3,-2.6 -5,-0.0 -1,-0.2 -0.962 72.0-116.1-127.5 133.5 20.6 -28.3 -1.1 25 31 A P E +C 20 0A 71 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.454 44.0 166.9 -65.2 135.9 21.1 -25.9 1.9 26 32 A M E -C 19 0A 45 -7,-2.3 -7,-2.7 -2,-0.1 2,-0.5 -0.977 36.9-125.8-148.2 145.8 20.1 -22.4 1.1 27 33 A T E -C 18 0A 47 -2,-0.3 49,-2.8 47,-0.2 2,-0.4 -0.789 29.9-154.6 -87.8 131.7 19.4 -19.2 3.1 28 34 A F E -Cd 17 76A 0 -11,-3.1 -11,-2.1 -2,-0.5 2,-0.5 -0.907 6.8-156.4-107.9 131.2 15.9 -17.8 2.2 29 35 A R E -Cd 16 77A 22 47,-3.4 49,-1.6 -2,-0.4 2,-0.3 -0.936 29.2-118.1-102.5 128.2 15.0 -14.1 2.5 30 36 A E E > - d 0 78A 3 -15,-2.6 3,-0.9 -2,-0.5 49,-0.2 -0.481 30.7-117.3 -70.0 129.7 11.2 -13.6 2.8 31 37 A L T 3 S+ 0 0 11 47,-2.2 49,-0.1 -2,-0.3 -1,-0.1 -0.362 84.8 6.3 -63.6 143.1 9.7 -11.6 0.0 32 38 A L T 3 S+ 0 0 3 69,-0.5 68,-1.7 1,-0.2 2,-0.3 0.455 106.8 91.8 71.0 14.9 8.0 -8.3 0.6 33 39 A V E < -H 99 0B 0 -3,-0.9 2,-0.3 66,-0.3 66,-0.2 -0.872 49.5-161.4-134.8 163.5 8.8 -7.8 4.3 34 40 A D E -H 98 0B 52 64,-1.7 64,-2.2 -2,-0.3 3,-0.1 -0.913 10.1-166.8-141.7 121.0 11.5 -6.3 6.6 35 41 A T - 0 0 2 -2,-0.3 62,-0.2 62,-0.2 -20,-0.1 -0.738 37.3 -94.0 -93.2 155.9 11.8 -7.3 10.2 36 42 A P - 0 0 15 0, 0.0 -22,-0.3 0, 0.0 -21,-0.1 -0.283 48.5-102.5 -62.4 146.9 13.9 -5.2 12.7 37 43 A E > - 0 0 94 1,-0.1 3,-2.5 -24,-0.1 6,-0.3 -0.401 40.1 -99.6 -69.2 156.6 17.5 -6.5 13.0 38 50 A F T 3 S+ 0 0 134 1,-0.3 5,-0.1 5,-0.2 -1,-0.1 0.763 123.7 54.0 -51.2 -30.6 18.1 -8.5 16.2 39 51 A N T 3 S+ 0 0 145 4,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.471 98.9 78.1 -85.6 0.9 19.7 -5.5 17.9 40 52 A E S X S- 0 0 104 -3,-2.5 3,-2.5 1,-0.1 0, 0.0 -0.615 99.7 -69.4-107.9 167.7 16.7 -3.2 17.2 41 53 A K T 3 S+ 0 0 168 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.310 122.1 7.1 -63.3 138.2 13.3 -2.8 18.9 42 54 A Y T 3> S+ 0 0 47 -4,-0.1 4,-2.6 -7,-0.1 -1,-0.3 0.363 96.8 115.3 64.8 4.6 11.1 -5.9 18.2 43 55 A G H <> S+ 0 0 0 -3,-2.5 4,-2.6 -6,-0.3 -5,-0.2 0.957 79.0 43.2 -68.0 -49.6 14.1 -7.6 16.5 44 56 A P H > S+ 0 0 48 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.895 114.2 51.3 -62.0 -36.6 14.3 -10.4 19.1 45 57 A E H > S+ 0 0 101 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.923 111.8 47.4 -66.3 -39.1 10.4 -10.7 19.1 46 58 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.930 113.0 48.5 -64.2 -46.9 10.4 -11.0 15.3 47 59 A S H X S+ 0 0 17 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.913 113.1 48.0 -58.5 -45.0 13.2 -13.6 15.4 48 60 A A H X S+ 0 0 55 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.895 109.9 52.9 -65.6 -38.2 11.4 -15.6 18.1 49 61 A F H X S+ 0 0 61 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.945 112.8 42.4 -60.6 -51.6 8.1 -15.5 16.1 50 62 A T H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.919 112.6 54.6 -61.5 -41.8 9.6 -16.8 13.0 51 63 A K H X S+ 0 0 98 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.930 110.3 45.9 -59.1 -50.3 11.6 -19.4 14.9 52 64 A K H X S+ 0 0 140 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.935 112.5 51.3 -59.5 -42.6 8.6 -20.8 16.6 53 65 A M H X S+ 0 0 26 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.932 117.5 36.0 -67.1 -44.9 6.6 -20.9 13.4 54 66 A V H < S+ 0 0 3 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.858 117.1 51.6 -78.4 -34.1 9.2 -22.8 11.3 55 67 A E H < S+ 0 0 96 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.835 112.9 45.7 -69.3 -34.4 10.4 -25.1 14.2 56 68 A N H < S+ 0 0 102 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.627 90.5 107.5 -82.2 -18.6 6.8 -26.2 15.1 57 69 A A < - 0 0 19 -4,-0.7 3,-0.2 -5,-0.2 -49,-0.1 -0.414 53.6-160.9 -66.1 136.5 5.8 -26.8 11.5 58 70 A K S S+ 0 0 185 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.801 86.4 31.4 -76.3 -29.0 5.3 -30.4 10.2 59 71 A K - 0 0 115 -52,-0.1 24,-2.9 2,-0.0 2,-0.4 -0.984 66.8-168.6-138.6 122.6 5.6 -29.1 6.6 60 72 A I E -AE 6 82A 10 -54,-0.7 -54,-1.7 -2,-0.4 2,-0.3 -0.887 12.6-178.7-106.0 139.4 7.6 -26.2 5.3 61 73 A E E -AE 5 81A 33 20,-2.0 20,-3.0 -2,-0.4 2,-0.4 -0.978 14.6-151.1-133.0 152.8 7.0 -25.0 1.7 62 74 A V E -AE 4 80A 0 -58,-2.9 -58,-2.8 -2,-0.3 2,-0.4 -0.936 5.9-165.1-122.6 143.4 8.5 -22.3 -0.4 63 75 A E E -AE 3 79A 9 16,-2.4 16,-3.1 -2,-0.4 -60,-0.2 -0.957 9.3-152.0-129.1 118.4 6.8 -20.4 -3.1 64 76 A F - 0 0 11 -62,-0.5 -62,-0.4 -2,-0.4 14,-0.2 -0.460 13.9-133.6 -83.1 154.6 8.8 -18.4 -5.6 65 77 A D - 0 0 5 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.145 35.2 -86.3 -90.5-165.2 7.3 -15.4 -7.4 66 78 A K S S+ 0 0 161 39,-0.1 40,-0.2 -2,-0.1 3,-0.1 0.603 104.7 43.4 -78.7 -19.4 7.5 -14.5 -11.1 67 79 A G S S- 0 0 34 1,-0.3 39,-0.1 38,-0.1 38,-0.1 0.219 105.9 -1.1-110.0-138.4 10.8 -12.7 -11.0 68 80 A Q - 0 0 119 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.306 46.5-168.5 -67.3 138.7 14.2 -13.1 -9.5 69 81 A R S S+ 0 0 119 1,-0.2 8,-2.4 -3,-0.1 2,-0.4 0.554 73.2 39.6-101.8 -14.6 14.6 -16.3 -7.3 70 82 A T B S-F 76 0A 79 6,-0.3 6,-0.2 -42,-0.1 -1,-0.2 -0.993 75.8-140.6-131.8 145.5 18.0 -15.4 -5.7 71 83 A D > - 0 0 21 4,-2.5 3,-1.8 -2,-0.4 -2,-0.1 -0.249 41.5 -83.8 -95.0-174.6 19.2 -12.0 -4.5 72 84 A K T 3 S+ 0 0 175 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.619 129.2 53.6 -64.8 -13.2 22.6 -10.5 -4.8 73 85 A Y T 3 S- 0 0 163 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.296 120.4-106.8-100.3 2.4 23.8 -12.3 -1.7 74 86 A G S < S+ 0 0 52 -3,-1.8 2,-0.3 1,-0.3 -47,-0.2 0.582 72.5 145.3 81.7 5.5 22.7 -15.7 -3.1 75 87 A R - 0 0 66 -49,-0.1 -4,-2.5 -47,-0.1 -1,-0.3 -0.645 54.8-115.4 -70.9 139.2 19.7 -15.9 -0.7 76 88 A G E -dF 28 70A 0 -49,-2.8 -47,-3.4 -2,-0.3 2,-0.6 -0.443 24.5-142.4 -69.2 143.0 16.6 -17.5 -2.1 77 89 A L E +d 29 0A 20 -8,-2.4 -12,-0.5 -49,-0.2 2,-0.3 -0.947 44.3 128.2-109.1 116.6 13.6 -15.0 -2.4 78 90 A A E -d 30 0A 0 -49,-1.6 -47,-2.2 -2,-0.6 2,-0.5 -0.985 63.1-102.2-154.5 167.3 10.3 -16.7 -1.6 79 91 A Y E -E 63 0A 0 -16,-3.1 -16,-2.4 -2,-0.3 2,-0.4 -0.828 43.7-147.6 -91.1 131.7 7.1 -16.8 0.3 80 92 A I E -E 62 0A 0 -2,-0.5 7,-3.1 -18,-0.2 8,-0.6 -0.890 10.9-161.7-107.9 130.0 7.6 -19.3 3.2 81 93 A Y E -EG 61 86A 15 -20,-3.0 -20,-2.0 -2,-0.4 2,-0.5 -0.918 8.9-163.9-115.8 136.1 4.7 -21.4 4.5 82 94 A A E > S-EG 60 85A 7 3,-2.9 3,-1.9 -2,-0.4 -22,-0.2 -0.980 83.9 -23.3-116.4 112.5 4.5 -23.3 7.8 83 95 A D T 3 S- 0 0 84 -24,-2.9 -23,-0.1 -2,-0.5 -1,-0.1 0.898 129.9 -49.2 44.6 47.2 1.7 -25.9 7.8 84 96 A G T 3 S+ 0 0 46 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.354 116.0 113.6 86.9 -6.8 0.0 -23.9 5.0 85 97 A K E < -G 82 0A 112 -3,-1.9 -3,-2.9 3,-0.0 2,-0.4 -0.863 69.5-121.0-103.1 130.2 0.3 -20.5 6.8 86 98 A M E > -G 81 0A 5 -2,-0.5 4,-2.1 -5,-0.2 -5,-0.3 -0.554 14.2-159.0 -72.9 124.5 2.5 -17.8 5.2 87 99 A V H > S+ 0 0 0 -7,-3.1 4,-2.5 -2,-0.4 5,-0.3 0.925 91.9 57.7 -67.1 -42.1 5.3 -16.7 7.6 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.933 112.4 40.4 -55.6 -48.2 5.7 -13.4 5.6 89 101 A E H > S+ 0 0 55 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.881 111.4 55.7 -68.1 -42.6 2.1 -12.5 6.2 90 102 A A H X S+ 0 0 2 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.885 106.9 50.5 -58.7 -39.7 1.9 -13.7 9.8 91 103 A L H <>S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 6,-0.8 0.928 113.7 45.5 -64.1 -46.0 4.8 -11.4 10.7 92 104 A V H ><5S+ 0 0 0 -4,-1.8 3,-2.0 -5,-0.3 -2,-0.2 0.945 109.4 54.2 -62.9 -43.8 3.2 -8.4 9.1 93 105 A R H 3<5S+ 0 0 70 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.798 109.4 50.1 -63.5 -28.9 -0.2 -9.2 10.6 94 106 A Q T 3<5S- 0 0 75 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.379 115.1-113.4 -88.7 4.9 1.4 -9.2 14.1 95 107 A G T < 5S+ 0 0 0 -3,-2.0 32,-2.5 -4,-0.2 -3,-0.2 0.793 87.9 114.9 70.4 25.6 3.2 -5.9 13.7 96 108 A L S - 0 0 154 -2,-1.2 3,-2.0 3,-0.4 -3,-0.0 -0.758 33.7 -99.5-101.3 137.6 10.1 -4.9 -6.5 104 116 A K T 3 S+ 0 0 203 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.246 106.9 18.7 -56.9 138.0 8.1 -5.0 -9.7 105 117 A G T 3 S+ 0 0 34 -38,-0.1 -1,-0.3 1,-0.1 -39,-0.1 0.485 115.6 67.6 74.3 0.1 7.4 -8.5 -10.9 106 118 A N S < S+ 0 0 12 -3,-2.0 -3,-0.4 -40,-0.2 -74,-0.1 -0.402 77.1 93.1-126.7 57.0 8.1 -10.2 -7.6 107 119 A N > + 0 0 53 -5,-0.1 3,-2.0 1,-0.1 4,-0.3 0.082 33.0 131.7-139.7 28.9 5.1 -8.7 -5.9 108 120 A T T 3 S+ 0 0 71 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.854 82.5 39.8 -46.8 -49.5 2.2 -11.2 -6.3 109 121 A H T 3> S+ 0 0 36 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.187 81.3 114.1 -93.3 21.4 1.2 -11.1 -2.7 110 122 A E H <> S+ 0 0 36 -3,-2.0 4,-2.5 1,-0.2 5,-0.2 0.933 78.7 43.5 -59.5 -47.7 1.7 -7.4 -2.2 111 123 A Q H > S+ 0 0 127 -3,-0.4 4,-2.1 -4,-0.3 -1,-0.2 0.904 110.8 54.9 -71.6 -32.5 -1.9 -6.5 -1.6 112 124 A L H > S+ 0 0 76 -4,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.940 112.9 44.2 -59.1 -45.3 -2.5 -9.5 0.8 113 125 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.896 110.1 53.2 -74.7 -33.6 0.4 -8.3 2.9 114 126 A R H X S+ 0 0 96 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.879 107.1 54.4 -65.4 -33.7 -0.6 -4.6 2.8 115 127 A K H X S+ 0 0 141 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.949 109.0 47.3 -64.3 -41.0 -4.1 -5.7 4.1 116 128 A A H X S+ 0 0 8 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.868 110.2 52.4 -64.3 -42.2 -2.4 -7.4 7.0 117 129 A E H X S+ 0 0 26 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.925 106.8 53.2 -65.2 -37.5 -0.2 -4.4 7.8 118 130 A A H X S+ 0 0 41 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.922 110.4 47.0 -63.5 -39.7 -3.3 -2.1 7.9 119 131 A Q H X S+ 0 0 67 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.922 111.6 50.6 -68.9 -44.1 -5.0 -4.4 10.4 120 132 A A H <>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 4,-0.3 0.898 112.8 47.3 -58.4 -40.0 -1.8 -4.6 12.5 121 133 A K H ><5S+ 0 0 100 -4,-2.8 3,-1.0 2,-0.2 -1,-0.2 0.891 107.8 54.1 -66.8 -39.5 -1.6 -0.8 12.5 122 134 A K H 3<5S+ 0 0 147 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.873 112.3 45.8 -67.0 -32.3 -5.3 -0.4 13.4 123 135 A E T 3<5S- 0 0 90 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.501 108.4-130.2 -87.9 -2.9 -4.7 -2.6 16.4 124 136 A K T < 5 + 0 0 144 -3,-1.0 2,-0.3 -4,-0.3 -3,-0.2 0.889 42.2 179.7 58.7 38.6 -1.5 -0.7 17.2 125 137 A L > < - 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