==== 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 3TP7 . 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) . 7221.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 67.4 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 . 31 24.0 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 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 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 80 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 153.1 28.6 -6.3 8.2 2 8 A H - 0 0 115 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.949 360.0-126.2-131.2 142.9 27.9 -9.7 6.8 3 9 A K E -A 63 0A 88 -2,-0.4 60,-0.2 60,-0.1 77,-0.1 -0.626 28.6-170.1 -79.6 136.6 27.0 -11.2 3.5 4 10 A E E -A 62 0A 21 58,-2.2 58,-3.0 -2,-0.3 2,-0.0 -0.959 24.1-102.4-126.5 149.5 23.8 -13.3 3.4 5 11 A P E +A 61 0A 105 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.288 42.7 156.9 -69.6 155.1 22.4 -15.6 0.6 6 12 A A E -A 60 0A 13 54,-1.6 54,-0.7 15,-0.1 2,-0.3 -0.952 28.0-135.8-160.3 162.3 19.6 -14.7 -1.7 7 13 A T E -D 20 0B 85 13,-1.4 13,-3.3 -2,-0.3 2,-0.2 -0.955 30.3-103.1-122.6 147.0 18.3 -15.8 -5.1 8 14 A L E +D 19 0B 52 -2,-0.3 11,-0.3 11,-0.2 3,-0.1 -0.477 34.9 170.7 -60.0 132.1 17.1 -13.6 -8.0 9 15 A I E - 0 0 69 9,-2.9 2,-0.3 -2,-0.2 10,-0.2 0.759 69.4 -30.0 -99.1 -50.9 13.3 -13.5 -8.4 10 16 A K E -D 18 0B 115 8,-2.4 8,-2.8 0, 0.0 -1,-0.2 -0.913 52.9-113.5-166.0 142.4 13.4 -10.7 -11.0 11 17 A A E +D 17 0B 19 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.385 32.3 174.0 -63.9 140.2 15.1 -7.5 -12.1 12 18 A I - 0 0 79 4,-1.1 2,-0.2 1,-0.5 5,-0.2 0.626 50.3 -50.7-112.5 -72.8 13.0 -4.4 -11.6 13 19 A D S S- 0 0 19 3,-1.7 -1,-0.5 33,-0.1 3,-0.3 -0.682 75.6 -53.3-149.0-159.4 15.0 -1.2 -12.4 14 20 A G S S+ 0 0 0 22,-0.3 77,-0.1 1,-0.2 23,-0.1 0.837 131.0 15.9 -54.5 -41.6 18.4 0.5 -11.7 15 21 A D S S+ 0 0 4 21,-0.1 15,-2.4 20,-0.1 2,-0.3 0.310 116.3 67.0-127.3 12.8 18.1 0.5 -7.9 16 22 A T E + E 0 29B 12 -3,-0.3 -3,-1.7 13,-0.2 -4,-1.1 -0.984 50.8 170.4-129.1 152.9 15.4 -2.1 -7.0 17 23 A V E -DE 11 28B 0 11,-1.7 11,-3.4 -2,-0.3 2,-0.6 -0.990 31.8-124.7-155.6 145.8 15.3 -5.9 -7.5 18 24 A K E +DE 10 27B 71 -8,-2.8 -9,-2.9 -2,-0.3 -8,-2.4 -0.876 41.2 166.6 -99.6 121.3 13.0 -8.7 -6.4 19 25 A L E -DE 8 26B 0 7,-2.7 7,-2.4 -2,-0.6 2,-0.6 -0.888 39.3-118.3-128.8 159.9 15.0 -11.4 -4.5 20 26 A M E +DE 7 25B 79 -13,-3.3 -13,-1.4 -2,-0.3 2,-0.4 -0.895 37.0 179.1 -99.7 122.3 14.2 -14.4 -2.4 21 27 A Y E > - E 0 24B 19 3,-2.9 3,-2.0 -2,-0.6 -15,-0.1 -0.982 67.9 -8.7-131.7 130.3 15.6 -13.9 1.1 22 28 A K T 3 S- 0 0 159 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.880 131.5 -57.6 45.1 39.4 15.3 -16.4 4.0 23 29 A G T 3 S+ 0 0 49 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.531 118.5 106.2 78.1 4.5 12.8 -18.1 1.7 24 30 A Q E < S-E 21 0B 124 -3,-2.0 -3,-2.9 2,-0.0 2,-0.2 -0.936 73.3-115.1-118.3 136.7 10.5 -15.1 1.2 25 31 A P E +E 20 0B 72 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.511 42.9 170.5 -66.8 136.9 10.1 -12.8 -1.8 26 32 A M E -E 19 0B 43 -7,-2.4 -7,-2.7 -2,-0.2 2,-0.5 -0.990 34.5-129.7-147.0 137.0 11.2 -9.2 -1.1 27 33 A T E -E 18 0B 45 -2,-0.3 49,-2.4 47,-0.3 2,-0.4 -0.817 31.1-152.5 -81.4 128.0 11.7 -6.1 -3.1 28 34 A F E -Ef 17 76B 0 -11,-3.4 -11,-1.7 -2,-0.5 2,-0.5 -0.886 9.1-155.6-104.5 134.9 15.2 -4.7 -2.3 29 35 A R E -Ef 16 77B 22 47,-3.5 49,-1.3 -2,-0.4 2,-0.2 -0.942 28.8-118.9-104.8 124.8 16.2 -1.0 -2.6 30 36 A L E > - f 0 78B 2 -15,-2.4 3,-0.9 -2,-0.5 49,-0.2 -0.485 31.7-119.8 -65.3 122.9 20.0 -0.5 -3.0 31 37 A L T 3 S+ 0 0 10 47,-2.2 49,-0.1 -2,-0.2 71,-0.1 -0.367 84.6 8.4 -62.6 143.7 21.4 1.6 -0.1 32 38 A L T 3 S+ 0 0 2 69,-0.6 68,-1.5 74,-0.2 2,-0.3 0.443 107.8 94.0 76.1 8.2 23.2 4.9 -0.7 33 39 A V E < -H 99 0C 0 -3,-0.9 2,-0.3 66,-0.3 66,-0.2 -0.876 49.9-161.5-130.7 163.6 22.3 5.3 -4.4 34 40 A D E -H 98 0C 53 64,-1.6 64,-2.2 -2,-0.3 3,-0.1 -0.891 9.8-169.6-142.1 114.0 19.8 6.8 -6.8 35 41 A T - 0 0 1 -2,-0.3 62,-0.2 62,-0.2 -20,-0.1 -0.703 37.0 -98.9 -89.0 151.6 19.4 5.6 -10.4 36 42 A P - 0 0 16 0, 0.0 -22,-0.3 0, 0.0 -21,-0.1 -0.304 49.0 -98.2 -58.0 156.1 17.2 7.7 -12.8 37 43 A E > - 0 0 90 1,-0.1 3,-2.2 -24,-0.1 6,-0.3 -0.372 38.1-101.4 -74.4 160.4 13.7 6.2 -13.2 38 50 A F T 3 S+ 0 0 134 1,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.864 125.2 51.5 -53.3 -35.3 13.2 4.0 -16.3 39 51 A N T 3 S+ 0 0 135 4,-0.2 -1,-0.3 3,-0.1 2,-0.1 0.637 100.4 79.6 -76.7 -14.2 11.4 6.9 -18.0 40 52 A E S X S- 0 0 100 -3,-2.2 3,-1.9 1,-0.1 2,-0.0 -0.396 99.2 -71.1 -89.7 170.0 14.3 9.4 -17.3 41 53 A K T 3 S+ 0 0 166 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.345 122.4 7.9 -61.0 136.6 17.6 9.9 -19.1 42 54 A Y T 3> S+ 0 0 50 -3,-0.1 4,-2.5 -4,-0.1 -1,-0.3 0.424 98.5 114.5 64.5 -0.4 20.0 6.9 -18.4 43 55 A G H <> S+ 0 0 0 -3,-1.9 4,-2.2 -6,-0.3 -5,-0.2 0.951 76.0 46.1 -60.1 -51.2 17.1 5.2 -16.7 44 56 A P H > S+ 0 0 50 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.874 113.7 49.3 -57.1 -45.5 17.0 2.4 -19.3 45 57 A E H > S+ 0 0 96 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.903 110.1 50.2 -63.5 -42.7 20.8 2.0 -19.1 46 58 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 5,-0.2 0.922 112.3 48.2 -58.7 -46.8 20.8 1.8 -15.3 47 59 A S H X S+ 0 0 15 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.899 112.0 48.6 -61.3 -43.7 18.1 -0.9 -15.5 48 60 A A H X S+ 0 0 56 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.876 110.1 53.7 -63.1 -38.6 19.9 -2.9 -18.1 49 61 A F H X S+ 0 0 53 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.927 112.0 40.8 -65.9 -51.7 23.1 -2.8 -16.1 50 62 A T H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.818 114.8 54.4 -63.3 -36.7 21.6 -4.1 -12.8 51 63 A K H X S+ 0 0 99 -4,-1.8 4,-2.6 -5,-0.2 5,-0.3 0.927 110.4 44.6 -66.1 -46.8 19.6 -6.7 -14.8 52 64 A K H X S+ 0 0 140 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.940 113.8 52.3 -64.3 -42.6 22.7 -8.1 -16.6 53 65 A M H X S+ 0 0 26 -4,-2.3 4,-0.8 -5,-0.2 -2,-0.2 0.928 117.2 35.4 -59.6 -46.6 24.6 -8.0 -13.3 54 66 A V H < S+ 0 0 3 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.853 117.7 50.6 -78.5 -36.1 22.0 -10.0 -11.3 55 67 A E H < S+ 0 0 92 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.757 112.6 46.7 -74.7 -27.2 20.8 -12.3 -14.1 56 68 A N H < S+ 0 0 113 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.634 91.2 106.0 -87.0 -19.0 24.4 -13.3 -15.0 57 69 A A < - 0 0 19 -4,-0.8 3,-0.2 -5,-0.2 -3,-0.0 -0.389 52.0-164.1 -65.3 136.7 25.4 -13.9 -11.4 58 70 A K S S+ 0 0 198 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.764 86.2 33.6 -86.0 -20.2 25.9 -17.5 -10.1 59 71 A K - 0 0 112 -52,-0.0 24,-3.2 2,-0.0 2,-0.4 -0.967 66.9-172.1-141.1 115.5 25.8 -16.1 -6.5 60 72 A I E -AB 6 82A 13 -54,-0.7 -54,-1.6 -2,-0.4 2,-0.3 -0.911 11.1-174.9-103.0 133.8 23.7 -13.2 -5.2 61 73 A E E -AB 5 81A 28 20,-2.0 20,-2.6 -2,-0.4 2,-0.4 -0.949 13.8-148.8-125.2 148.7 24.3 -11.9 -1.6 62 74 A V E -AB 4 80A 0 -58,-3.0 -58,-2.2 -2,-0.3 2,-0.5 -0.949 8.1-166.4-114.9 143.2 22.6 -9.3 0.4 63 75 A E E -AB 3 79A 10 16,-2.4 16,-2.9 -2,-0.4 2,-0.2 -0.950 7.4-155.1-131.3 111.0 24.3 -7.3 3.1 64 76 A F - 0 0 10 -62,-0.5 -62,-0.4 -2,-0.5 14,-0.2 -0.496 14.7-134.2 -80.2 153.6 22.3 -5.2 5.6 65 77 A D - 0 0 5 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.148 35.9 -84.9 -91.0-166.8 23.9 -2.2 7.2 66 78 A K S S+ 0 0 165 39,-0.1 40,-0.2 -2,-0.1 3,-0.1 0.605 105.0 44.9 -74.0 -21.5 23.7 -1.3 10.9 67 79 A G S S- 0 0 32 1,-0.3 39,-0.1 38,-0.3 38,-0.1 0.246 105.5 -3.8-109.2-136.4 20.4 0.5 10.9 68 80 A Q - 0 0 122 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.327 46.3-165.9 -73.8 138.8 17.0 0.0 9.5 69 81 A R S S+ 0 0 111 1,-0.2 8,-2.4 -3,-0.1 2,-0.4 0.542 73.1 41.5 -99.6 -12.4 16.6 -3.1 7.2 70 82 A T B S-G 76 0B 75 6,-0.3 6,-0.2 -42,-0.1 -1,-0.2 -0.999 74.9-138.6-135.7 138.9 13.2 -2.2 5.6 71 83 A D > - 0 0 21 4,-3.3 3,-2.0 -2,-0.4 -2,-0.1 -0.195 41.8 -85.8 -87.0-173.1 12.0 1.2 4.4 72 84 A K T 3 S+ 0 0 178 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.626 129.3 54.2 -72.1 -13.2 8.5 2.7 4.8 73 85 A Y T 3 S- 0 0 165 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.279 121.4-106.1 -95.3 5.5 7.3 0.9 1.7 74 86 A G S < S+ 0 0 53 -3,-2.0 2,-0.3 1,-0.3 -47,-0.3 0.603 72.9 145.2 77.8 7.3 8.5 -2.5 3.1 75 87 A R - 0 0 68 -49,-0.1 -4,-3.3 -47,-0.1 -1,-0.3 -0.657 53.2-118.6 -74.9 137.6 11.5 -2.6 0.7 76 88 A G E -fG 28 70B 0 -49,-2.4 -47,-3.5 -2,-0.3 2,-0.6 -0.493 22.2-143.0 -71.8 143.3 14.6 -4.3 2.2 77 89 A L E +f 29 0B 19 -8,-2.4 -12,-0.5 -49,-0.2 2,-0.3 -0.959 42.9 128.1-114.7 114.1 17.6 -1.9 2.3 78 90 A A E -f 30 0B 0 -49,-1.3 -47,-2.2 -2,-0.6 2,-0.5 -0.937 61.4-101.7-152.3 164.0 20.9 -3.6 1.6 79 91 A Y E -B 63 0A 0 -16,-2.9 -16,-2.4 -2,-0.3 2,-0.5 -0.899 42.5-147.7 -87.8 134.4 24.1 -3.7 -0.4 80 92 A I E -B 62 0A 1 -2,-0.5 7,-2.9 -18,-0.2 8,-0.5 -0.894 10.2-161.3-112.9 130.5 23.7 -6.3 -3.1 81 93 A Y E -BC 61 86A 14 -20,-2.6 -20,-2.0 -2,-0.5 2,-0.5 -0.899 7.2-160.7-111.8 138.3 26.6 -8.3 -4.4 82 94 A A E > S-BC 60 85A 7 3,-3.0 3,-2.1 -2,-0.4 -22,-0.2 -0.974 84.1 -23.8-118.1 112.8 26.8 -10.2 -7.7 83 95 A D T 3 S- 0 0 82 -24,-3.2 -1,-0.2 -2,-0.5 -23,-0.1 0.912 131.0 -47.5 48.1 48.9 29.5 -12.9 -7.6 84 96 A G T 3 S+ 0 0 46 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.400 115.3 117.5 80.9 -3.4 31.2 -10.9 -4.9 85 97 A K E < -C 82 0A 115 -3,-2.1 -3,-3.0 4,-0.0 2,-0.6 -0.875 66.7-124.6-100.0 130.6 30.9 -7.5 -6.8 86 98 A M E > -C 81 0A 8 -2,-0.5 4,-2.5 -5,-0.2 -5,-0.2 -0.560 14.9-162.0 -79.2 116.2 28.8 -4.8 -5.1 87 99 A E H > S+ 0 0 0 -7,-2.9 4,-2.6 -2,-0.6 5,-0.3 0.842 88.8 59.3 -60.2 -41.6 26.1 -3.6 -7.5 88 100 A N H > S+ 0 0 0 -8,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.933 112.2 39.8 -54.4 -44.1 25.6 -0.3 -5.5 89 101 A E H > S+ 0 0 62 2,-0.2 4,-3.2 1,-0.2 -2,-0.2 0.902 112.6 56.1 -74.2 -41.8 29.3 0.6 -6.1 90 102 A A H X S+ 0 0 8 -4,-2.5 4,-1.6 1,-0.2 6,-0.2 0.907 106.7 49.3 -58.7 -46.5 29.3 -0.6 -9.6 91 103 A L H <>S+ 0 0 0 -4,-2.6 5,-2.7 2,-0.2 6,-0.9 0.942 115.0 44.2 -55.7 -48.1 26.4 1.6 -10.7 92 104 A V H ><5S+ 0 0 0 -4,-1.5 3,-2.4 -5,-0.3 -2,-0.2 0.957 110.5 55.3 -64.9 -41.6 28.0 4.7 -9.1 93 105 A R H 3<5S+ 0 0 66 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.807 109.9 46.7 -62.1 -31.9 31.4 3.8 -10.6 94 106 A Q T 3<5S- 0 0 75 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.319 115.3-114.4 -91.6 5.1 29.8 3.7 -14.1 95 107 A G T < 5S+ 0 0 0 -3,-2.4 32,-2.4 2,-0.2 -3,-0.2 0.804 86.3 117.8 64.4 29.8 27.9 7.0 -13.6 96 108 A L S - 0 0 154 -2,-1.1 3,-2.0 3,-0.4 -3,-0.0 -0.833 35.2 -96.6-103.6 139.0 21.0 8.4 6.4 104 116 A K T 3 S+ 0 0 211 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.137 108.4 19.6 -49.0 137.8 23.0 8.2 9.6 105 117 A G T 3 S+ 0 0 37 -38,-0.1 -38,-0.3 1,-0.1 -1,-0.3 0.460 115.3 67.6 73.4 -1.8 23.6 4.7 10.8 106 118 A N S < S+ 0 0 13 -3,-2.0 -3,-0.4 -40,-0.2 -74,-0.2 -0.443 75.9 92.7-126.9 60.7 23.0 3.0 7.4 107 119 A N > + 0 0 56 -5,-0.1 3,-1.9 1,-0.1 4,-0.3 0.070 32.7 131.9-140.9 27.4 26.1 4.5 5.7 108 120 A T T 3 S+ 0 0 75 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.898 82.8 38.7 -48.8 -42.4 28.9 2.0 6.1 109 121 A H T 3> S+ 0 0 35 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.199 82.5 113.5-101.9 18.3 29.9 2.1 2.5 110 122 A E H <> S+ 0 0 36 -3,-1.9 4,-2.5 1,-0.2 5,-0.2 0.945 78.3 43.9 -53.1 -53.9 29.4 5.8 2.0 111 123 A Q H > S+ 0 0 129 -3,-0.4 4,-2.2 -4,-0.3 -1,-0.2 0.889 110.6 54.8 -66.0 -38.8 33.0 6.7 1.5 112 124 A L H > S+ 0 0 77 -4,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.907 112.4 44.8 -54.7 -45.7 33.7 3.8 -0.9 113 125 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.869 109.8 53.2 -69.5 -39.8 30.8 4.9 -3.1 114 126 A R H X S+ 0 0 95 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.896 107.2 53.5 -64.0 -34.7 31.8 8.6 -3.0 115 127 A K H X S+ 0 0 133 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.955 109.7 47.8 -64.6 -40.8 35.2 7.6 -4.2 116 128 A A H X S+ 0 0 1 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.885 110.2 52.3 -64.4 -41.0 33.6 5.7 -7.1 117 129 A E H X S+ 0 0 24 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.917 106.3 53.8 -60.6 -42.9 31.4 8.7 -7.9 118 130 A A H X S+ 0 0 38 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.922 111.1 46.0 -58.4 -42.9 34.5 11.0 -8.0 119 131 A Q H X S+ 0 0 64 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.948 112.7 49.2 -65.9 -51.6 36.1 8.6 -10.6 120 132 A A H <>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 -1,-0.2 0.879 113.0 48.2 -50.4 -43.5 32.9 8.4 -12.7 121 133 A K H ><5S+ 0 0 98 -4,-2.7 3,-1.4 3,-0.2 -1,-0.2 0.907 108.3 53.3 -69.1 -40.6 32.6 12.2 -12.6 122 134 A K H 3<5S+ 0 0 158 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.903 111.5 47.0 -56.6 -45.5 36.3 12.6 -13.6 123 135 A E T 3<5S- 0 0 99 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.387 108.6-128.6 -79.8 0.6 35.7 10.3 -16.6 124 136 A K T < 5 - 0 0 134 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.893 43.8-178.4 54.3 43.6 32.5 12.2 -17.5 125 137 A L > < - 0 0 41 -5,-2.4 3,-2.7 3,-0.1 -1,-0.2 -0.635 43.4 -55.2 -86.2 132.7 30.6 8.9 -17.6 126 138 A N G > S+ 0 0 50 -2,-0.4 3,-2.1 1,-0.3 -30,-0.2 -0.188 135.9 24.8 50.9-107.3 27.0 8.6 -18.5 127 139 A I G 3 S+ 0 0 43 -32,-2.4 -1,-0.3 1,-0.3 -31,-0.1 0.811 127.6 51.3 -59.2 -30.6 25.1 10.9 -16.1 128 140 A W G < 0 0 50 -3,-2.7 -1,-0.3 -33,-0.2 -2,-0.2 0.402 360.0 360.0 -84.0 3.6 28.3 13.0 -15.7 129 141 A S < 0 0 99 -3,-2.1 -4,-0.1 -4,-0.2 -5,-0.1 -0.310 360.0 360.0 -75.7 360.0 28.8 13.3 -19.5