==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-SEP-10 3P1H . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR I.A.CLARK,J.A.CARO,G.SUE,J.L.SCHLESSMAN,B.GARCIA-MORENO E,A. . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7308.0 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 0 2 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 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 68 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 153.7 2.5 -0.8 -8.2 2 8 A H - 0 0 154 62,-0.4 62,-0.6 63,-0.1 2,-0.3 -0.959 360.0-130.3-131.0 133.2 3.3 -4.3 -6.9 3 9 A K E -A 63 0A 96 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.625 28.5-171.4 -80.2 135.4 4.2 -5.7 -3.5 4 10 A E E -A 62 0A 44 58,-2.7 58,-2.7 -2,-0.3 2,-0.0 -0.950 25.1 -99.1-123.9 152.6 7.4 -7.9 -3.5 5 11 A P E +A 61 0A 102 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.306 43.6 157.1 -70.3 151.1 8.8 -10.1 -0.7 6 12 A A E -A 60 0A 11 54,-1.7 54,-0.7 15,-0.1 2,-0.4 -0.945 27.2-137.5-154.2 163.0 11.6 -9.1 1.6 7 13 A T E -B 20 0A 82 13,-1.6 13,-3.1 -2,-0.3 2,-0.3 -0.977 28.2-105.6-122.7 150.9 12.8 -10.2 5.0 8 14 A L E +B 19 0A 52 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.537 35.4 170.0 -67.5 127.4 14.0 -8.1 7.9 9 15 A I E - 0 0 78 9,-2.7 2,-0.3 -2,-0.3 10,-0.2 0.776 69.8 -22.8 -93.3 -53.2 17.7 -8.2 8.5 10 16 A K E -B 18 0A 145 8,-1.9 8,-2.9 0, 0.0 -1,-0.2 -0.947 56.5-120.1-158.4 135.1 18.0 -5.3 11.0 11 17 A A E +B 17 0A 18 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.375 31.3 175.4 -59.4 146.1 16.0 -2.2 12.0 12 18 A I - 0 0 85 4,-1.2 2,-0.2 1,-0.5 5,-0.2 0.568 50.2 -44.7-117.7 -68.5 18.1 0.9 11.6 13 19 A D S S- 0 0 23 3,-2.0 -1,-0.5 33,-0.1 3,-0.4 -0.721 75.9 -57.1-150.3-161.2 16.1 4.0 12.3 14 20 A G S S+ 0 0 0 22,-0.3 77,-0.1 1,-0.2 23,-0.1 0.880 131.0 15.1 -59.4 -38.8 12.7 5.7 11.7 15 21 A D S S+ 0 0 4 21,-0.1 15,-2.5 20,-0.1 2,-0.3 0.266 118.4 64.2-125.2 16.5 12.9 5.7 7.9 16 22 A T E + C 0 29A 11 -3,-0.4 -3,-2.0 13,-0.2 -4,-1.2 -0.990 50.5 163.9-135.4 148.4 15.7 3.2 7.0 17 23 A K E -BC 11 28A 1 11,-1.7 11,-3.2 -2,-0.3 2,-0.6 -0.984 37.3-115.0-155.6 157.1 16.1 -0.5 7.6 18 24 A K E +BC 10 27A 70 -8,-2.9 -9,-2.7 -2,-0.3 -8,-1.9 -0.898 42.7 171.7-100.7 120.9 18.2 -3.4 6.3 19 25 A L E -BC 8 26A 0 7,-2.4 7,-2.3 -2,-0.6 2,-0.6 -0.916 36.0-122.1-125.9 152.4 16.1 -5.9 4.4 20 26 A M E +BC 7 25A 79 -13,-3.1 -13,-1.6 -2,-0.3 2,-0.4 -0.881 36.0 178.4 -94.7 124.7 16.9 -8.9 2.3 21 27 A Y E > - C 0 24A 17 3,-2.5 3,-1.8 -2,-0.6 -15,-0.1 -0.995 69.7 -7.6-135.9 125.6 15.4 -8.4 -1.2 22 28 A K T 3 S- 0 0 155 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.862 131.3 -59.8 47.8 37.7 15.8 -10.9 -4.0 23 29 A G T 3 S+ 0 0 47 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.530 116.7 108.3 75.2 13.9 18.2 -12.7 -1.6 24 30 A Q E < S-C 21 0A 128 -3,-1.8 -3,-2.5 -5,-0.0 2,-0.2 -0.944 72.1-116.4-122.4 137.0 20.6 -9.7 -1.3 25 31 A P E +C 20 0A 79 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.528 43.6 167.0 -72.4 137.9 21.1 -7.4 1.8 26 32 A M E -C 19 0A 42 -7,-2.3 -7,-2.4 -2,-0.2 2,-0.5 -0.989 37.8-122.9-145.8 145.7 20.1 -3.8 1.0 27 33 A T E -C 18 0A 31 -2,-0.3 49,-2.8 47,-0.3 2,-0.4 -0.869 31.8-154.2 -86.1 131.2 19.4 -0.7 3.0 28 34 A F E -Cd 17 76A 4 -11,-3.2 -11,-1.7 -2,-0.5 2,-0.5 -0.890 7.4-159.1-107.4 132.3 15.9 0.6 2.3 29 35 A R E -Cd 16 77A 23 47,-3.9 49,-1.3 -2,-0.4 2,-0.2 -0.966 28.9-116.7-109.7 125.0 14.9 4.3 2.6 30 36 A L E > - d 0 78A 3 -15,-2.5 3,-0.9 -2,-0.5 49,-0.2 -0.473 31.3-119.4 -63.4 128.5 11.1 4.9 3.0 31 37 A L T 3 S+ 0 0 11 47,-2.1 49,-0.1 -2,-0.2 71,-0.1 -0.398 84.8 7.7 -63.8 144.3 9.6 6.9 0.1 32 38 A L T 3 S+ 0 0 3 69,-0.5 68,-1.6 1,-0.1 2,-0.3 0.459 107.5 91.6 70.1 14.0 7.9 10.3 0.7 33 39 A V E < -H 99 0B 0 -3,-0.9 2,-0.3 66,-0.3 66,-0.2 -0.894 50.8-159.6-136.1 164.4 8.7 10.7 4.4 34 40 A D E -H 98 0B 54 64,-1.7 64,-2.1 -2,-0.3 3,-0.0 -0.919 10.3-167.2-143.0 112.9 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 -0.713 37.1 -96.9 -88.3 154.2 11.7 11.0 10.3 36 42 A P - 0 0 15 0, 0.0 -22,-0.3 0, 0.0 -21,-0.1 -0.321 48.1-101.6 -63.2 148.4 13.8 13.0 12.8 37 43 A E > - 0 0 88 1,-0.1 3,-2.0 -24,-0.1 6,-0.2 -0.329 35.2-104.1 -70.1 159.7 17.3 11.7 13.2 38 50 A F T 3 S+ 0 0 135 1,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.879 124.2 56.5 -53.7 -37.7 17.9 9.6 16.3 39 51 A N T 3 S+ 0 0 137 4,-0.2 -1,-0.3 3,-0.1 2,-0.1 0.611 101.3 75.9 -64.5 -17.9 19.8 12.6 17.8 40 52 A E S X S- 0 0 100 -3,-2.0 3,-1.9 1,-0.1 2,-0.1 -0.395 98.2 -73.2 -97.9 172.1 16.7 14.9 17.3 41 53 A K T 3 S+ 0 0 164 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.401 122.0 8.5 -67.7 136.5 13.3 15.3 19.1 42 54 A Y T 3> S+ 0 0 48 -2,-0.1 4,-2.4 -4,-0.1 -1,-0.3 0.424 99.5 114.4 66.5 -0.9 11.0 12.4 18.3 43 55 A G H <> S+ 0 0 0 -3,-1.9 4,-2.3 1,-0.2 -5,-0.2 0.956 76.5 44.0 -62.4 -55.0 14.0 10.7 16.7 44 56 A P H > S+ 0 0 47 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.849 114.1 51.3 -51.1 -43.6 14.1 7.9 19.3 45 57 A E H > S+ 0 0 97 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.888 109.7 48.8 -71.1 -38.5 10.3 7.5 19.1 46 58 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.920 111.3 50.3 -63.3 -44.1 10.3 7.2 15.3 47 59 A S H X S+ 0 0 18 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.905 112.5 47.0 -60.0 -41.6 13.1 4.6 15.5 48 60 A A H X S+ 0 0 56 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.880 110.0 53.0 -68.8 -39.7 11.2 2.6 18.0 49 61 A F H X S+ 0 0 58 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.951 113.4 41.8 -62.0 -50.8 7.9 2.7 16.1 50 62 A T H X S+ 0 0 2 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.908 113.4 53.8 -64.8 -41.4 9.4 1.5 12.9 51 63 A K H X S+ 0 0 93 -4,-2.3 4,-2.5 -5,-0.2 5,-0.3 0.925 112.0 44.5 -58.5 -45.1 11.5 -1.2 14.8 52 64 A K H X S+ 0 0 135 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.915 112.4 52.3 -67.4 -40.4 8.4 -2.6 16.5 53 65 A M H X S+ 0 0 28 -4,-2.3 4,-0.6 -5,-0.2 -2,-0.2 0.939 117.3 36.3 -64.8 -42.6 6.4 -2.5 13.3 54 66 A V H < S+ 0 0 2 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.849 116.9 49.8 -82.2 -35.8 8.9 -4.4 11.2 55 67 A E H < S+ 0 0 97 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.840 112.2 48.7 -70.2 -34.6 10.2 -6.9 13.9 56 68 A N H < S+ 0 0 108 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.669 91.1 105.8 -77.9 -18.7 6.6 -7.9 14.9 57 69 A A < - 0 0 18 -4,-0.6 3,-0.2 -5,-0.2 -3,-0.0 -0.393 56.1-159.1 -68.6 139.4 5.5 -8.5 11.3 58 70 A K S S+ 0 0 194 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.748 86.2 29.8 -81.8 -24.7 5.1 -12.0 10.0 59 71 A K - 0 0 119 -52,-0.0 24,-3.1 2,-0.0 2,-0.4 -0.979 66.9-168.4-144.0 118.6 5.4 -10.8 6.4 60 72 A I E +AE 6 82A 13 -54,-0.7 -54,-1.7 -2,-0.4 2,-0.3 -0.885 13.2 179.4-105.2 138.3 7.5 -7.8 5.1 61 73 A E E -AE 5 81A 28 20,-2.0 20,-2.9 -2,-0.4 2,-0.4 -0.978 15.7-148.7-135.6 153.2 7.0 -6.6 1.6 62 74 A V E -AE 4 80A 0 -58,-2.7 -58,-2.7 -2,-0.3 2,-0.5 -0.939 5.5-162.9-121.3 147.4 8.4 -3.7 -0.5 63 75 A E E -AE 3 79A 7 16,-2.2 16,-2.7 -2,-0.4 -60,-0.2 -0.961 9.8-150.7-132.0 116.1 6.7 -1.9 -3.2 64 76 A F E - E 0 78A 9 -62,-0.6 -62,-0.4 -2,-0.5 14,-0.2 -0.485 14.2-132.4 -82.7 153.9 8.8 0.2 -5.6 65 77 A D - 0 0 4 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.132 34.8 -89.3 -89.3-165.5 7.3 3.3 -7.2 66 78 A K S S+ 0 0 166 39,-0.4 40,-0.2 -2,-0.0 3,-0.1 0.599 104.5 49.1 -80.6 -13.5 7.4 4.1 -11.0 67 79 A G S S- 0 0 32 38,-0.3 39,-0.1 1,-0.3 38,-0.1 0.174 105.8 -7.5-109.6-140.9 10.7 6.0 -10.9 68 80 A Q - 0 0 122 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.291 47.0-164.4 -70.3 138.4 14.2 5.5 -9.4 69 81 A R S S+ 0 0 121 1,-0.2 8,-2.1 -3,-0.1 2,-0.3 0.531 74.4 38.4 -99.0 -11.1 14.5 2.4 -7.2 70 82 A T B S-F 76 0A 75 6,-0.3 6,-0.2 -42,-0.1 -1,-0.2 -0.984 75.9-138.2-136.5 143.6 17.8 3.3 -5.6 71 83 A D > - 0 0 23 4,-2.3 3,-2.0 -2,-0.3 -2,-0.1 -0.280 42.8 -84.3 -90.5-176.4 19.1 6.7 -4.4 72 84 A K T 3 S+ 0 0 176 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.637 129.4 56.1 -66.9 -13.7 22.6 8.2 -4.8 73 85 A Y T 3 S- 0 0 163 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.443 119.7-107.9 -93.6 -1.2 23.7 6.3 -1.6 74 86 A G S < S+ 0 0 52 -3,-2.0 -47,-0.3 1,-0.3 2,-0.3 0.567 72.0 144.7 81.7 6.7 22.6 2.9 -3.0 75 87 A R - 0 0 67 -49,-0.1 -4,-2.3 -47,-0.1 -1,-0.3 -0.631 55.0-115.1 -74.7 138.0 19.6 2.7 -0.7 76 88 A G E -dF 28 70A 0 -49,-2.8 -47,-3.9 -2,-0.3 2,-0.6 -0.496 24.0-145.5 -63.6 139.2 16.4 1.0 -2.1 77 89 A L E +d 29 0A 18 -8,-2.1 -12,-0.5 -49,-0.2 2,-0.3 -0.963 42.8 130.9-109.9 115.0 13.5 3.5 -2.3 78 90 A A E -dE 30 64A 2 -49,-1.3 -47,-2.1 -2,-0.6 2,-0.5 -0.953 61.6-106.0-153.9 162.9 10.2 1.8 -1.5 79 91 A Y E - E 0 63A 0 -16,-2.7 -16,-2.2 -2,-0.3 2,-0.4 -0.875 43.5-148.9 -89.6 132.2 7.0 1.7 0.4 80 92 A A E - E 0 62A 3 -2,-0.5 7,-3.4 -18,-0.2 8,-0.6 -0.900 10.1-161.1-111.0 139.9 7.4 -0.9 3.1 81 93 A Y E -GE 86 61A 17 -20,-2.9 -20,-2.0 -2,-0.4 2,-0.5 -0.937 8.6-161.7-120.4 141.2 4.5 -3.0 4.4 82 94 A A E > S-GE 85 60A 7 3,-2.5 3,-1.7 -2,-0.4 -22,-0.2 -0.963 84.7 -24.1-122.2 108.1 4.4 -5.0 7.6 83 95 A D T 3 S- 0 0 89 -24,-3.1 -1,-0.1 -2,-0.5 -23,-0.1 0.924 130.3 -47.9 52.4 46.8 1.6 -7.6 7.5 84 96 A G T 3 S+ 0 0 49 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.319 115.0 114.1 83.8 -9.2 -0.2 -5.5 4.9 85 97 A K E < -G 82 0A 114 -3,-1.7 -3,-2.5 3,-0.0 2,-0.3 -0.839 69.1-121.5-101.1 128.0 0.1 -2.1 6.7 86 98 A M E > -G 81 0A 6 -2,-0.5 4,-1.9 -5,-0.2 -5,-0.3 -0.473 13.9-157.8 -71.4 125.6 2.3 0.5 5.1 87 99 A V H > S+ 0 0 0 -7,-3.4 4,-2.4 -2,-0.3 5,-0.2 0.904 92.3 57.3 -67.0 -43.0 5.1 1.7 7.4 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.921 111.8 40.9 -51.2 -50.2 5.5 5.0 5.5 89 101 A E H > S+ 0 0 58 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.865 111.7 55.8 -68.8 -40.1 1.8 5.9 6.1 90 102 A A H X S+ 0 0 3 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.903 106.8 49.8 -63.7 -40.8 1.8 4.6 9.7 91 103 A L H <>S+ 0 0 0 -4,-2.4 5,-2.5 2,-0.2 6,-0.8 0.946 114.3 44.9 -62.0 -44.1 4.7 6.9 10.7 92 104 A V H ><5S+ 0 0 0 -4,-1.7 3,-2.0 -5,-0.2 -2,-0.2 0.932 109.6 54.6 -69.0 -40.8 3.0 9.9 9.2 93 105 A R H 3<5S+ 0 0 66 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.813 109.9 48.5 -64.2 -27.4 -0.4 9.1 10.7 94 106 A Q T 3<5S- 0 0 77 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.379 114.9-116.1 -90.1 3.4 1.3 9.0 14.1 95 107 A G T < 5S+ 0 0 0 -3,-2.0 32,-2.3 -4,-0.2 -3,-0.2 0.814 85.6 117.2 64.0 27.6 3.1 12.3 13.6 96 108 A L S - 0 0 151 -2,-1.2 3,-2.1 3,-0.4 -3,-0.0 -0.802 34.7 -96.5-102.3 143.1 10.0 13.8 -6.3 104 116 A K T 3 S+ 0 0 210 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.202 108.8 17.6 -54.1 135.0 8.2 13.7 -9.6 105 117 A G T 3 S+ 0 0 36 -38,-0.1 -39,-0.4 1,-0.1 -38,-0.3 0.263 115.7 68.5 83.1 -12.9 7.5 10.1 -10.8 106 118 A N S < S+ 0 0 12 -3,-2.1 -3,-0.4 -40,-0.2 -74,-0.1 -0.373 75.7 92.9-118.2 51.8 8.1 8.5 -7.4 107 119 A N > + 0 0 55 -5,-0.1 3,-2.0 1,-0.1 4,-0.3 0.100 32.8 130.9-135.7 32.7 5.0 9.9 -5.8 108 120 A T T 3 S+ 0 0 70 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.876 82.4 39.4 -53.6 -42.3 2.2 7.4 -6.2 109 121 A H T 3> S+ 0 0 35 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.240 81.9 113.1 -97.0 18.2 1.2 7.5 -2.6 110 122 A E H <> S+ 0 0 35 -3,-2.0 4,-2.8 1,-0.2 5,-0.2 0.911 78.0 44.8 -54.3 -50.5 1.6 11.2 -2.0 111 123 A Q H > S+ 0 0 128 -3,-0.4 4,-2.1 -4,-0.3 -1,-0.2 0.894 110.9 54.3 -69.1 -36.3 -2.0 12.1 -1.5 112 124 A L H > S+ 0 0 76 -4,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.925 112.7 44.3 -54.9 -48.1 -2.6 9.1 0.8 113 125 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.900 110.1 53.5 -70.9 -37.8 0.3 10.2 3.0 114 126 A R H X S+ 0 0 91 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.876 106.8 53.8 -62.7 -35.0 -0.7 13.9 3.0 115 127 A K H X S+ 0 0 130 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.939 109.3 48.2 -62.8 -41.8 -4.2 12.8 4.2 116 128 A A H X S+ 0 0 1 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.900 110.0 52.0 -65.3 -40.3 -2.5 11.0 7.1 117 129 A E H X S+ 0 0 25 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.908 106.5 53.6 -61.5 -41.8 -0.4 14.0 7.9 118 130 A A H X S+ 0 0 38 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.902 110.9 46.8 -60.8 -40.0 -3.4 16.2 8.1 119 131 A Q H X S+ 0 0 67 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.953 112.2 48.7 -69.3 -44.0 -5.0 13.9 10.5 120 132 A A H <>S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 -2,-0.2 0.882 114.8 46.4 -60.5 -39.1 -1.9 13.6 12.7 121 133 A K H ><5S+ 0 0 91 -4,-2.7 3,-1.1 3,-0.2 -1,-0.2 0.878 109.2 53.5 -72.2 -35.5 -1.6 17.4 12.7 122 134 A K H 3<5S+ 0 0 165 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.816 112.0 46.5 -63.8 -31.9 -5.3 17.8 13.5 123 135 A E T 3<5S- 0 0 104 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.385 110.2-127.5 -91.0 1.9 -4.8 15.5 16.5 124 136 A K T < 5 - 0 0 140 -3,-1.1 2,-0.4 1,-0.2 -3,-0.2 0.872 44.1-179.7 52.7 43.7 -1.7 17.4 17.5 125 137 A L > < - 0 0 44 -5,-2.6 3,-2.7 3,-0.1 2,-0.3 -0.623 43.1 -56.7 -86.3 133.4 0.3 14.2 17.6 126 138 A N G > S+ 0 0 50 -2,-0.4 3,-1.9 1,-0.3 -30,-0.2 -0.212 135.0 26.2 51.2-103.7 4.0 14.0 18.5 127 139 A I G 3 S+ 0 0 40 -32,-2.3 -1,-0.3 1,-0.3 -31,-0.1 0.875 127.8 50.1 -57.1 -35.9 5.9 16.2 16.0 128 140 A W G < 0 0 48 -3,-2.7 -1,-0.3 -33,-0.2 -2,-0.2 0.347 360.0 360.0 -86.0 4.3 2.7 18.3 15.7 129 141 A S < 0 0 96 -3,-1.9 -4,-0.1 -4,-0.2 -5,-0.1 -0.278 360.0 360.0 -77.3 360.0 2.2 18.6 19.4