==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-JAN-12 4DGZ . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.A.CARO,S.P.NAM,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) . 7419.0 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 68 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 156.7 2.4 -0.7 -8.2 2 8 A H - 0 0 153 62,-0.3 62,-0.5 63,-0.1 2,-0.3 -0.962 360.0-129.6-124.4 139.7 3.2 -4.2 -7.0 3 9 A K E -A 63 0A 89 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.620 27.7-170.3 -82.5 139.3 4.2 -5.6 -3.6 4 10 A E E -A 62 0A 42 58,-2.4 58,-2.5 -2,-0.3 2,-0.0 -0.959 26.0 -96.0-126.3 152.3 7.3 -7.8 -3.6 5 11 A P E +A 61 0A 105 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.292 44.5 158.2 -68.8 149.6 8.7 -10.0 -0.9 6 12 A A E -A 60 0A 12 54,-1.7 54,-0.7 15,-0.1 2,-0.4 -0.952 25.6-140.6-156.9 158.8 11.5 -9.0 1.5 7 13 A T E -D 20 0B 81 13,-1.6 13,-3.1 -2,-0.3 2,-0.3 -0.976 28.8-104.3-122.3 150.6 12.7 -10.2 5.0 8 14 A L E +D 19 0B 53 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.527 34.4 170.4 -68.8 131.1 13.9 -8.1 7.8 9 15 A I E - 0 0 76 9,-2.7 2,-0.3 -2,-0.3 10,-0.2 0.766 68.8 -30.2 -97.1 -52.7 17.7 -8.1 8.4 10 16 A K E -D 18 0B 123 8,-1.7 8,-3.0 0, 0.0 -1,-0.3 -0.970 54.4-112.2-165.9 143.6 17.7 -5.3 11.0 11 17 A A E +D 17 0B 26 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.420 32.2 172.8 -62.7 144.3 16.0 -2.2 12.1 12 18 A I - 0 0 72 4,-1.0 2,-0.2 1,-0.5 5,-0.2 0.540 52.0 -42.4-119.4 -68.1 18.1 1.0 11.6 13 19 A D S S- 0 0 23 3,-2.0 -1,-0.5 33,-0.1 3,-0.4 -0.742 74.4 -62.4-148.5-160.9 16.1 4.1 12.4 14 20 A G S S+ 0 0 0 22,-0.3 77,-0.1 1,-0.2 23,-0.1 0.832 130.3 19.4 -61.1 -37.9 12.7 5.8 11.8 15 21 A D S S+ 0 0 4 21,-0.1 15,-2.6 20,-0.1 2,-0.4 0.278 116.7 64.5-123.4 14.4 12.9 5.9 8.0 16 22 A T E + E 0 29B 12 -3,-0.4 -3,-2.0 13,-0.2 -4,-1.0 -0.990 51.5 169.8-135.2 147.2 15.6 3.3 7.1 17 23 A V E -DE 11 28B 4 11,-1.8 11,-3.0 -2,-0.4 2,-0.6 -0.990 32.2-122.6-151.8 146.4 15.7 -0.4 7.5 18 24 A K E +DE 10 27B 56 -8,-3.0 -9,-2.7 -2,-0.3 -8,-1.7 -0.839 40.3 169.9 -98.5 122.9 17.9 -3.2 6.3 19 25 A L E -DE 8 26B 1 7,-2.6 7,-2.4 -2,-0.6 2,-0.6 -0.932 37.3-121.7-127.5 155.1 16.0 -5.8 4.4 20 26 A M E +DE 7 25B 80 -13,-3.1 -13,-1.6 -2,-0.3 2,-0.4 -0.865 35.9 179.2 -96.1 124.4 16.9 -8.8 2.2 21 27 A Y E > - E 0 24B 21 3,-2.6 3,-2.0 -2,-0.6 -15,-0.1 -0.984 68.5 -7.9-133.3 127.6 15.4 -8.3 -1.2 22 28 A K T 3 S- 0 0 155 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.846 131.6 -57.8 47.5 36.4 15.8 -10.8 -4.1 23 29 A G T 3 S+ 0 0 47 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.531 117.5 107.2 82.7 7.1 18.2 -12.5 -1.7 24 30 A Q E < S-E 21 0B 123 -3,-2.0 -3,-2.6 -5,-0.0 2,-0.2 -0.939 71.9-115.9-122.9 139.6 20.6 -9.5 -1.3 25 31 A P E +E 20 0B 80 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.550 43.9 167.0 -71.2 134.5 21.0 -7.3 1.8 26 32 A M E -E 19 0B 41 -7,-2.4 -7,-2.6 -2,-0.2 2,-0.5 -0.998 37.0-126.0-145.6 148.1 20.0 -3.7 1.1 27 33 A T E -E 18 0B 31 -2,-0.3 49,-2.4 47,-0.3 2,-0.4 -0.832 30.3-154.6 -88.0 128.0 19.3 -0.6 3.1 28 34 A F E -Ef 17 76B 3 -11,-3.0 -11,-1.8 -2,-0.5 2,-0.5 -0.877 7.0-157.4-104.9 133.8 15.9 0.8 2.3 29 35 A R E -Ef 16 77B 21 47,-3.3 49,-1.4 -2,-0.4 2,-0.3 -0.964 28.6-117.6-103.7 129.8 14.9 4.4 2.7 30 36 A L E > - f 0 78B 5 -15,-2.6 3,-0.9 -2,-0.5 49,-0.2 -0.471 29.2-120.7 -75.1 126.1 11.2 5.0 3.0 31 37 A L T 3 S+ 0 0 11 47,-2.2 49,-0.1 -2,-0.3 71,-0.1 -0.347 84.3 9.2 -62.9 145.6 9.6 7.1 0.2 32 38 A L T 3 S+ 0 0 5 69,-0.5 68,-1.8 1,-0.2 2,-0.3 0.435 108.0 91.2 73.5 10.0 7.8 10.4 0.9 33 39 A V E < -H 99 0C 1 -3,-0.9 2,-0.4 66,-0.3 66,-0.2 -0.898 50.4-162.5-134.2 164.6 8.7 10.7 4.5 34 40 A D E -H 98 0C 55 64,-1.9 64,-2.1 -2,-0.3 3,-0.1 -0.921 11.0-169.4-146.3 112.0 11.3 12.2 6.9 35 41 A T - 0 0 2 -2,-0.4 62,-0.2 62,-0.2 -20,-0.1 -0.711 36.2 -95.6 -89.0 157.2 11.7 11.1 10.4 36 42 A P - 0 0 16 0, 0.0 -22,-0.3 0, 0.0 -21,-0.1 -0.303 46.0-102.5 -62.5 148.7 13.9 12.9 12.9 37 43 A E > - 0 0 90 1,-0.1 3,-2.2 -24,-0.1 6,-0.3 -0.360 36.2-105.1 -66.6 158.4 17.5 11.6 13.3 38 50 A F T 3 S+ 0 0 134 1,-0.3 5,-0.1 5,-0.2 -1,-0.1 0.871 122.9 56.6 -57.0 -36.9 18.0 9.6 16.4 39 51 A N T 3 S+ 0 0 142 4,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.575 101.0 76.7 -67.4 -8.8 19.9 12.5 18.0 40 52 A E S X S- 0 0 97 -3,-2.2 3,-1.9 1,-0.1 2,-0.1 -0.513 99.9 -73.0-103.9 167.2 16.8 14.8 17.4 41 53 A K T 3 S+ 0 0 161 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.407 120.5 8.2 -62.2 133.4 13.5 15.2 19.2 42 54 A Y T 3> S+ 0 0 41 -2,-0.1 4,-2.8 -4,-0.1 -1,-0.3 0.269 97.8 114.0 73.2 -1.9 11.2 12.3 18.4 43 55 A G H <> S+ 0 0 0 -3,-1.9 4,-2.7 -6,-0.3 5,-0.2 0.931 76.9 45.4 -58.5 -51.6 14.0 10.5 16.7 44 56 A P H > S+ 0 0 48 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.900 113.6 50.0 -64.0 -32.1 14.2 7.8 19.3 45 57 A E H > S+ 0 0 100 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.903 111.0 49.4 -72.5 -37.2 10.4 7.4 19.2 46 58 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 5,-0.3 0.923 110.9 49.9 -64.7 -45.6 10.3 7.2 15.4 47 59 A S H X S+ 0 0 16 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.912 111.9 47.9 -55.8 -45.7 13.0 4.6 15.5 48 60 A A H X S+ 0 0 55 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.872 109.6 53.2 -64.1 -35.3 11.1 2.5 18.1 49 61 A F H X S+ 0 0 56 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.944 113.2 41.2 -66.8 -51.5 7.9 2.8 16.1 50 62 A T H X S+ 0 0 3 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.913 113.6 54.9 -61.7 -42.2 9.4 1.5 12.9 51 63 A K H X S+ 0 0 94 -4,-2.5 4,-2.8 -5,-0.3 5,-0.3 0.932 109.7 46.3 -57.4 -47.8 11.4 -1.2 14.7 52 64 A K H X S+ 0 0 135 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.950 112.2 50.6 -62.9 -40.1 8.3 -2.5 16.4 53 65 A M H X S+ 0 0 30 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.892 117.1 38.1 -63.8 -46.4 6.3 -2.6 13.2 54 66 A V H < S+ 0 0 6 -4,-2.5 3,-0.2 2,-0.2 -1,-0.2 0.874 117.1 48.9 -78.3 -34.9 9.0 -4.4 11.2 55 67 A E H < S+ 0 0 97 -4,-2.8 -2,-0.2 -5,-0.3 -3,-0.2 0.826 113.5 47.7 -70.6 -32.5 10.1 -6.9 13.9 56 68 A N H < S+ 0 0 108 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.627 90.1 107.8 -83.0 -12.3 6.5 -7.9 14.8 57 69 A A < - 0 0 20 -4,-0.6 3,-0.2 -3,-0.2 -3,-0.0 -0.415 53.5-162.0 -72.6 138.9 5.5 -8.4 11.2 58 70 A K S S+ 0 0 203 1,-0.3 2,-0.4 -2,-0.2 -1,-0.2 0.807 86.5 30.0 -81.5 -23.3 5.0 -11.9 9.9 59 71 A K - 0 0 115 -52,-0.1 24,-2.9 2,-0.0 2,-0.4 -0.969 66.9-168.2-142.9 119.1 5.3 -10.7 6.4 60 72 A I E +AB 6 82A 13 -54,-0.7 -54,-1.7 -2,-0.4 2,-0.3 -0.873 13.0 178.9-101.7 140.1 7.4 -7.7 5.1 61 73 A E E -AB 5 81A 32 20,-2.1 20,-2.9 -2,-0.4 2,-0.4 -0.971 14.7-151.4-134.0 151.5 6.8 -6.4 1.5 62 74 A V E -AB 4 80A 0 -58,-2.5 -58,-2.4 -2,-0.3 2,-0.5 -0.940 5.0-162.7-118.7 149.5 8.4 -3.6 -0.5 63 75 A E E -AB 3 79A 8 16,-2.4 16,-2.8 -2,-0.4 -60,-0.2 -0.956 8.8-150.7-132.6 117.8 6.7 -1.7 -3.3 64 76 A F - 0 0 11 -62,-0.5 -62,-0.3 -2,-0.5 14,-0.1 -0.454 13.9-134.9 -80.2 149.8 8.7 0.4 -5.7 65 77 A D - 0 0 4 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.207 35.6 -87.3 -89.8-163.0 7.2 3.4 -7.3 66 78 A K S S+ 0 0 166 39,-0.2 40,-0.2 -2,-0.1 3,-0.1 0.527 104.1 43.2 -84.9 -15.5 7.5 4.3 -11.0 67 79 A G S S+ 0 0 34 1,-0.3 39,-0.1 38,-0.2 38,-0.1 0.088 105.8 1.8-106.9-136.4 10.8 6.2 -10.9 68 80 A Q - 0 0 132 1,-0.1 -1,-0.3 -2,-0.1 -3,-0.3 -0.229 46.7-169.3 -60.4 135.3 14.1 5.8 -9.3 69 81 A R S S+ 0 0 128 1,-0.1 8,-2.2 -3,-0.1 2,-0.3 0.568 72.7 37.3-103.7 -12.1 14.5 2.6 -7.2 70 82 A T B S-G 76 0B 68 6,-0.3 6,-0.2 -42,-0.1 -1,-0.1 -0.980 75.0-137.0-136.8 144.4 17.8 3.5 -5.6 71 83 A D > - 0 0 30 4,-2.3 3,-2.2 -2,-0.3 -2,-0.0 -0.363 42.2 -86.7 -91.8-178.3 19.1 6.8 -4.3 72 84 A K T 3 S+ 0 0 179 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.584 128.4 55.1 -64.1 -16.0 22.6 8.3 -4.7 73 85 A Y T 3 S- 0 0 163 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.339 121.0-105.4 -95.7 4.1 23.7 6.4 -1.5 74 86 A G S < S+ 0 0 52 -3,-2.2 2,-0.4 1,-0.3 -47,-0.3 0.596 72.8 145.4 81.0 5.6 22.6 3.0 -2.9 75 87 A R - 0 0 67 -49,-0.1 -4,-2.3 -47,-0.1 -1,-0.3 -0.673 53.1-117.3 -76.1 137.9 19.6 2.9 -0.7 76 88 A G E -fG 28 70B 0 -49,-2.4 -47,-3.3 -2,-0.4 2,-0.6 -0.462 23.0-144.1 -65.2 142.3 16.5 1.2 -2.1 77 89 A L E +f 29 0B 26 -8,-2.2 -12,-0.5 -49,-0.2 2,-0.3 -0.958 42.7 127.3-112.9 113.5 13.5 3.7 -2.3 78 90 A A E -f 30 0B 2 -49,-1.4 -47,-2.2 -2,-0.6 2,-0.5 -0.964 62.2-102.1-154.0 166.9 10.2 2.0 -1.6 79 91 A Y E -B 63 0A 1 -16,-2.8 -16,-2.4 -2,-0.3 2,-0.4 -0.880 43.3-149.1 -91.5 130.4 7.0 1.8 0.3 80 92 A A E -B 62 0A 4 -2,-0.5 7,-3.1 -18,-0.2 8,-0.6 -0.884 9.4-161.2-107.7 137.5 7.4 -0.8 3.0 81 93 A Y E -BC 61 86A 16 -20,-2.9 -20,-2.1 -2,-0.4 2,-0.5 -0.955 8.3-163.7-121.4 132.9 4.5 -2.9 4.3 82 94 A A E > S-BC 60 85A 7 3,-2.7 3,-2.1 -2,-0.4 -22,-0.2 -0.974 85.6 -22.7-113.9 113.8 4.3 -4.9 7.6 83 95 A D T 3 S- 0 0 88 -24,-2.9 -1,-0.1 -2,-0.5 -23,-0.1 0.914 129.9 -51.4 49.4 44.3 1.4 -7.5 7.5 84 96 A G T 3 S+ 0 0 46 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.392 114.1 117.0 82.8 -7.2 -0.1 -5.3 4.8 85 97 A K E < -C 82 0A 114 -3,-2.1 -3,-2.7 4,-0.0 2,-0.4 -0.871 68.7-120.2 -98.0 128.7 0.1 -2.0 6.7 86 98 A M E > -C 81 0A 10 -2,-0.5 4,-2.1 -5,-0.2 -5,-0.3 -0.471 15.5-158.8 -70.2 120.6 2.2 0.7 5.1 87 99 A V H > S+ 0 0 2 -7,-3.1 4,-2.4 -2,-0.4 5,-0.2 0.918 90.6 56.1 -62.4 -44.9 5.1 1.8 7.4 88 100 A N H > S+ 0 0 3 -8,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.939 112.4 40.8 -56.2 -51.6 5.5 5.1 5.6 89 101 A E H > S+ 0 0 59 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.859 111.8 56.5 -64.5 -42.4 1.9 6.1 6.1 90 102 A A H X S+ 0 0 4 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.899 105.2 50.9 -61.8 -39.4 1.8 4.9 9.6 91 103 A L H <>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 6,-0.7 0.928 112.6 46.7 -60.1 -46.6 4.7 7.0 10.7 92 104 A V H ><5S+ 0 0 0 -4,-1.6 3,-1.8 -5,-0.2 -2,-0.2 0.933 109.4 55.0 -62.7 -44.6 3.1 10.1 9.2 93 105 A R H 3<5S+ 0 0 64 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.795 108.1 49.2 -58.8 -29.7 -0.2 9.3 10.8 94 106 A Q T 3<5S- 0 0 72 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.335 115.1-113.0 -91.8 6.7 1.4 9.1 14.2 95 107 A G T < 5S+ 0 0 0 -3,-1.8 32,-2.4 2,-0.2 -3,-0.2 0.794 87.6 115.2 63.4 31.4 3.1 12.4 13.8 96 108 A L S - 0 0 152 -2,-1.2 3,-2.0 3,-0.4 -3,-0.0 -0.787 34.8 -99.5 -97.8 144.9 9.9 13.9 -6.2 104 116 A K T 3 S+ 0 0 204 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.232 107.7 23.0 -65.6 140.8 7.9 13.7 -9.4 105 117 A G T 3 S+ 0 0 33 -38,-0.1 -1,-0.3 1,-0.0 -39,-0.2 0.427 117.0 64.5 80.3 -5.4 7.4 10.2 -10.7 106 118 A N S < S+ 0 0 12 -3,-2.0 -3,-0.4 -40,-0.2 -74,-0.1 -0.343 78.3 91.8-127.8 54.6 8.0 8.6 -7.3 107 119 A N > + 0 0 55 -5,-0.1 3,-2.0 1,-0.1 4,-0.3 0.089 34.5 129.5-135.2 29.5 5.0 10.1 -5.7 108 120 A T T 3 S+ 0 0 64 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.862 82.5 39.4 -56.0 -43.5 2.2 7.6 -6.2 109 121 A H T 3> S+ 0 0 39 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.142 80.5 112.4 -95.0 22.6 1.1 7.6 -2.5 110 122 A E H <> S+ 0 0 53 -3,-2.0 4,-3.0 1,-0.2 5,-0.2 0.941 76.8 49.2 -61.5 -47.7 1.6 11.3 -2.0 111 123 A Q H > S+ 0 0 171 -3,-0.3 4,-2.0 -4,-0.3 -1,-0.2 0.887 111.4 49.9 -53.9 -49.1 -2.2 12.0 -1.5 112 124 A L H > S+ 0 0 70 -4,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.925 113.0 46.8 -59.4 -46.9 -2.5 9.2 1.0 113 125 A A H X S+ 0 0 7 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.934 110.5 51.6 -64.4 -42.3 0.5 10.4 3.0 114 126 A R H X S+ 0 0 111 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.883 107.8 52.6 -63.4 -34.2 -0.7 14.0 3.0 115 127 A K H X S+ 0 0 135 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.925 108.7 50.1 -68.3 -37.2 -4.1 13.0 4.4 116 128 A A H X S+ 0 0 1 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.869 109.3 51.7 -63.9 -44.5 -2.4 11.1 7.2 117 129 A E H X S+ 0 0 28 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.929 106.8 53.6 -59.5 -39.3 -0.3 14.2 8.0 118 130 A A H X S+ 0 0 38 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.914 110.2 47.6 -63.6 -42.0 -3.4 16.4 8.2 119 131 A Q H X S+ 0 0 65 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.938 111.5 49.4 -65.6 -45.0 -5.0 14.0 10.6 120 132 A A H <>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 -1,-0.2 0.865 111.5 49.6 -59.6 -41.0 -1.9 13.8 12.8 121 133 A K H ><5S+ 0 0 101 -4,-2.7 3,-1.3 3,-0.2 -2,-0.2 0.904 109.0 52.1 -63.4 -40.4 -1.6 17.6 12.8 122 134 A K H 3<5S+ 0 0 167 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.895 110.9 47.4 -63.3 -36.7 -5.3 17.9 13.8 123 135 A E T 3<5S- 0 0 104 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.460 109.0-129.6 -80.8 -1.4 -4.7 15.5 16.7 124 136 A K T < 5 - 0 0 147 -3,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.894 42.9-178.6 51.7 46.2 -1.6 17.5 17.6 125 137 A L > < - 0 0 43 -5,-2.5 3,-2.9 3,-0.1 2,-0.2 -0.630 42.7 -58.4 -86.8 131.6 0.5 14.3 17.7 126 138 A N G > S+ 0 0 51 -2,-0.4 3,-2.1 1,-0.3 -30,-0.2 -0.164 134.9 28.6 51.9-103.3 4.1 14.1 18.6 127 139 A I G 3 S+ 0 0 39 -32,-2.4 -1,-0.3 1,-0.3 -31,-0.1 0.831 126.6 50.0 -56.5 -35.9 6.0 16.3 16.1 128 140 A W G < 0 0 52 -3,-2.9 -1,-0.3 -33,-0.1 -2,-0.2 0.229 360.0 360.0 -88.9 9.7 2.8 18.4 15.8 129 141 A S < 0 0 100 -3,-2.1 -4,-0.1 -4,-0.2 -5,-0.1 0.087 360.0 360.0 -90.8 360.0 2.4 18.8 19.6