==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-OCT-08 3EVQ . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.C.ROBINSON,J.L.SCHLESSMAN,E.B.GARCIA-MORENO . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7239.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 91 70.5 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 25.6 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 . 1 0.8 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 . 8 6.2 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 1 1 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 77 0, 0.0 2,-0.3 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 163.9 2.5 -1.0 -8.2 2 8 A H - 0 0 115 62,-0.4 62,-0.4 63,-0.1 2,-0.2 -0.996 360.0-113.3-142.9 152.6 2.8 -4.4 -6.6 3 9 A K - 0 0 88 -2,-0.3 60,-0.2 60,-0.1 77,-0.1 -0.556 29.5-170.8 -81.0 139.0 4.1 -6.0 -3.4 4 10 A E E -A 62 0A 25 58,-2.4 58,-3.3 -2,-0.2 2,-0.1 -0.939 26.3-102.0-126.2 154.9 7.2 -8.2 -3.5 5 11 A P E +A 61 0A 103 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.370 42.5 155.8 -78.5 159.5 8.6 -10.3 -0.7 6 12 A A E -AB 60 21A 12 54,-1.6 54,-0.6 15,-0.1 2,-0.4 -0.946 30.2-131.7-163.8 161.3 11.5 -9.6 1.6 7 13 A T E - B 0 20A 87 13,-1.4 13,-3.1 -2,-0.3 2,-0.2 -0.960 31.7-103.2-120.9 143.6 12.6 -10.7 5.0 8 14 A L E + B 0 19A 49 -2,-0.4 11,-0.3 11,-0.2 3,-0.1 -0.450 35.4 172.5 -55.4 131.3 13.8 -8.4 7.8 9 15 A I E - 0 0 72 9,-2.8 2,-0.3 1,-0.2 10,-0.2 0.778 68.6 -26.8 -94.3 -54.3 17.6 -8.4 8.3 10 16 A K E - B 0 18A 136 8,-2.1 8,-3.2 0, 0.0 -1,-0.2 -0.936 52.8-121.3-164.5 129.1 17.7 -5.5 10.8 11 17 A A E + B 0 17A 15 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.439 30.9 177.1 -61.4 140.5 15.8 -2.4 11.8 12 18 A I E - 0 0 83 4,-1.5 2,-0.2 1,-0.5 5,-0.2 0.678 51.0 -42.6-115.7 -65.8 18.1 0.6 11.5 13 19 A D E > S- B 0 16A 22 3,-1.8 3,-0.6 33,-0.1 -1,-0.5 -0.777 79.2 -55.3-148.2-158.6 16.1 3.8 12.4 14 20 A G T 3 S+ 0 0 0 22,-0.3 77,-0.1 1,-0.2 23,-0.1 0.824 131.5 14.3 -54.4 -38.1 12.8 5.5 11.8 15 21 A D T 3 S+ 0 0 3 20,-0.1 15,-2.3 21,-0.1 2,-0.4 0.210 114.1 73.9-131.1 15.8 12.9 5.4 8.0 16 22 A T E < +BC 13 29A 12 -3,-0.6 -3,-1.8 13,-0.2 -4,-1.5 -0.998 50.3 174.0-131.4 139.7 15.7 2.9 7.1 17 23 A V E -BC 11 28A 1 11,-2.1 11,-3.3 -2,-0.4 2,-0.5 -0.999 28.0-132.6-145.8 132.0 15.5 -0.9 7.4 18 24 A K E +BC 10 27A 83 -8,-3.2 -9,-2.8 -2,-0.4 -8,-2.1 -0.792 40.0 165.0 -86.5 123.6 18.0 -3.6 6.3 19 25 A E E -BC 8 26A 0 7,-2.8 7,-2.3 -2,-0.5 2,-0.6 -0.963 40.8-116.2-136.9 155.4 16.1 -6.3 4.5 20 26 A M E +BC 7 25A 79 -13,-3.1 -13,-1.4 -2,-0.3 2,-0.4 -0.865 36.4 180.0 -95.0 120.0 16.8 -9.3 2.2 21 27 A Y E > -BC 6 24A 23 3,-2.8 3,-2.3 -2,-0.6 -15,-0.1 -0.980 69.4 -9.0-127.5 133.2 15.3 -8.7 -1.2 22 28 A K T 3 S- 0 0 161 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.908 131.1 -58.3 37.5 43.4 15.6 -11.2 -4.1 23 29 A G T 3 S+ 0 0 49 -3,-0.2 -1,-0.3 1,-0.2 -3,-0.1 0.476 117.4 108.4 78.2 4.1 18.1 -13.0 -1.8 24 30 A Q E < S-C 21 0A 126 -3,-2.3 -3,-2.8 -5,-0.0 -1,-0.2 -0.936 70.4-118.6-116.2 135.9 20.5 -10.0 -1.4 25 31 A P E +C 20 0A 70 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.469 44.4 160.0 -67.1 134.7 20.9 -7.8 1.7 26 32 A M E -C 19 0A 43 -7,-2.3 -7,-2.8 -2,-0.2 2,-0.5 -0.954 40.3-119.4-157.7 151.4 20.1 -4.2 1.2 27 33 A T E -C 18 0A 46 -2,-0.3 49,-2.3 -9,-0.2 2,-0.4 -0.759 29.6-152.9 -89.1 121.2 19.2 -1.1 3.1 28 34 A F E -Cd 17 76A 0 -11,-3.3 -11,-2.1 -2,-0.5 2,-0.5 -0.819 5.2-156.8 -97.2 131.3 15.7 0.4 2.3 29 35 A R E -Cd 16 77A 18 47,-3.6 49,-1.4 -2,-0.4 2,-0.2 -0.953 29.8-117.9-102.1 125.7 14.9 4.1 2.7 30 36 A L E > - d 0 78A 2 -15,-2.3 3,-0.8 -2,-0.5 49,-0.2 -0.471 30.8-119.4 -69.2 126.3 11.1 4.6 3.0 31 37 A L T 3 S+ 0 0 10 47,-2.0 49,-0.1 -2,-0.2 71,-0.1 -0.357 84.6 8.4 -62.2 144.9 9.7 6.7 0.2 32 38 A L T 3 S+ 0 0 2 69,-0.5 68,-1.7 74,-0.2 2,-0.3 0.407 107.4 92.6 75.5 4.6 7.9 10.0 0.8 33 39 A V E < -H 99 0B 0 -3,-0.8 2,-0.3 66,-0.3 66,-0.2 -0.861 51.2-159.3-128.0 163.5 8.8 10.3 4.5 34 40 A D E -H 98 0B 53 64,-1.9 64,-2.2 -2,-0.3 3,-0.0 -0.904 8.6-170.5-141.3 111.1 11.3 11.8 6.9 35 41 A T - 0 0 0 -2,-0.3 62,-0.2 62,-0.2 -20,-0.1 -0.696 37.0-102.9 -84.8 151.1 11.8 10.5 10.5 36 42 A P - 0 0 17 0, 0.0 -22,-0.3 0, 0.0 11,-0.1 -0.413 46.1 -94.6 -64.9 154.7 14.0 12.6 12.7 37 43 A E > - 0 0 89 1,-0.1 3,-2.3 -24,-0.1 6,-0.3 -0.302 37.3-104.7 -60.7 156.9 17.5 11.2 13.3 38 50 A F T 3 S+ 0 0 132 1,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.850 122.8 54.3 -53.4 -37.0 18.0 9.0 16.4 39 51 A N T 3 S+ 0 0 138 4,-0.2 -1,-0.3 3,-0.1 2,-0.2 0.502 100.6 76.3 -77.7 -7.3 19.8 11.9 18.0 40 52 A E S X S- 0 0 97 -3,-2.3 3,-2.0 1,-0.1 2,-0.0 -0.574 100.5 -70.3 -99.7 169.2 16.9 14.4 17.4 41 53 A K T 3 S+ 0 0 153 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.328 122.1 8.5 -60.4 133.0 13.6 14.8 19.2 42 54 A Y T 3> S+ 0 0 37 -4,-0.1 4,-2.9 -7,-0.1 -1,-0.3 0.391 98.4 113.4 70.6 -2.5 11.2 11.8 18.5 43 55 A G H <> S+ 0 0 0 -3,-2.0 4,-2.7 -6,-0.3 -5,-0.2 0.964 76.9 45.8 -59.0 -54.0 14.1 10.1 16.8 44 56 A P H > S+ 0 0 53 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.883 115.3 48.5 -54.1 -41.8 14.3 7.3 19.4 45 57 A E H > S+ 0 0 94 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.901 109.8 50.7 -72.0 -38.8 10.5 7.0 19.2 46 58 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 5,-0.3 0.970 112.1 47.6 -58.1 -52.1 10.5 6.8 15.4 47 59 A S H X S+ 0 0 15 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.907 112.5 49.7 -57.2 -43.3 13.1 4.1 15.4 48 60 A A H X S+ 0 0 57 -4,-2.3 4,-2.3 -5,-0.2 5,-0.3 0.900 110.0 51.3 -63.1 -43.2 11.2 2.2 18.1 49 61 A F H X S+ 0 0 62 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.951 113.8 41.9 -58.6 -54.1 8.0 2.5 16.1 50 62 A T H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.907 113.0 54.8 -62.3 -41.8 9.4 1.1 12.9 51 63 A K H X S+ 0 0 103 -4,-2.5 4,-2.5 -5,-0.3 5,-0.2 0.924 110.5 43.4 -58.8 -48.8 11.4 -1.6 14.7 52 64 A K H X S+ 0 0 138 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.916 113.0 55.0 -65.6 -40.9 8.4 -3.1 16.5 53 65 A M H X S+ 0 0 30 -4,-2.2 4,-0.6 -5,-0.3 -2,-0.2 0.919 116.2 33.9 -58.2 -49.4 6.4 -2.8 13.3 54 66 A V H < S+ 0 0 2 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.816 118.6 52.6 -79.5 -30.4 8.8 -4.8 11.1 55 67 A E H < S+ 0 0 99 -4,-2.5 -2,-0.2 -5,-0.3 -3,-0.2 0.856 110.4 47.0 -73.7 -31.3 9.9 -7.1 13.9 56 68 A N H < S+ 0 0 114 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.674 90.9 105.0 -82.5 -16.9 6.4 -8.2 14.8 57 69 A A < - 0 0 18 -4,-0.6 3,-0.2 -5,-0.2 -3,-0.0 -0.415 55.4-160.2 -76.0 137.8 5.3 -8.8 11.3 58 70 A K S S+ 0 0 178 1,-0.3 2,-0.4 -2,-0.2 -1,-0.2 0.743 87.2 37.4 -78.8 -23.1 4.9 -12.3 10.0 59 71 A K - 0 0 93 -52,-0.0 24,-3.2 2,-0.0 2,-0.5 -0.958 66.4-169.8-138.0 113.2 5.2 -11.0 6.4 60 72 A I E -AE 6 82A 13 -54,-0.6 -54,-1.6 -2,-0.4 2,-0.3 -0.899 13.9-174.9 -95.3 132.6 7.4 -8.1 5.2 61 73 A E E -AE 5 81A 21 20,-2.1 20,-2.5 -2,-0.5 2,-0.4 -0.932 14.6-147.3-127.4 155.2 6.8 -6.8 1.7 62 74 A V E -AE 4 80A 0 -58,-3.3 -58,-2.4 -2,-0.3 2,-0.4 -0.932 9.0-168.4-123.2 135.4 8.5 -4.2 -0.5 63 75 A E E - E 0 79A 11 16,-2.4 16,-3.1 -2,-0.4 -60,-0.1 -0.910 6.1-159.0-131.6 104.9 6.8 -2.0 -3.0 64 76 A F - 0 0 10 -2,-0.4 -62,-0.4 -62,-0.4 14,-0.2 -0.457 14.2-136.7 -74.7 149.9 8.8 -0.0 -5.6 65 77 A D - 0 0 7 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.162 35.5 -87.4 -88.9-162.2 7.2 3.0 -7.2 66 78 A K S S+ 0 0 173 39,-0.4 40,-0.2 -2,-0.1 3,-0.1 0.818 104.3 52.7 -87.6 -26.9 7.4 3.9 -10.9 67 79 A G S S- 0 0 28 38,-0.6 39,-0.0 1,-0.2 -2,-0.0 0.363 106.2 -13.9 -87.8-144.1 10.7 5.9 -10.9 68 80 A Q - 0 0 121 1,-0.1 -3,-0.3 -4,-0.1 -1,-0.2 -0.230 45.5-162.8 -69.9 147.6 14.1 5.1 -9.5 69 81 A R S S+ 0 0 115 1,-0.1 8,-2.2 -3,-0.1 2,-0.4 0.480 74.1 46.4-107.0 -11.3 14.6 2.1 -7.2 70 82 A T B S-F 76 0A 72 6,-0.3 6,-0.2 -42,-0.1 2,-0.1 -0.969 74.7-140.9-130.5 140.7 18.0 3.0 -5.7 71 83 A D > - 0 0 23 4,-2.6 3,-2.4 -2,-0.4 -2,-0.1 -0.430 41.9 -85.5 -93.2-179.0 19.1 6.4 -4.3 72 84 A K T 3 S+ 0 0 181 1,-0.3 -1,-0.0 -2,-0.1 -2,-0.0 0.633 129.1 54.5 -65.6 -9.4 22.5 8.0 -4.7 73 85 A Y T 3 S- 0 0 163 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.323 120.0-105.9-102.2 3.7 23.7 6.1 -1.6 74 86 A G S < S+ 0 0 48 -3,-2.4 2,-0.3 1,-0.3 -47,-0.2 0.490 74.0 142.6 83.9 0.5 22.7 2.6 -3.0 75 87 A R - 0 0 69 -49,-0.1 -4,-2.6 1,-0.1 -1,-0.3 -0.591 54.9-116.8 -72.4 136.9 19.7 2.5 -0.6 76 88 A G E -dF 28 70A 0 -49,-2.3 -47,-3.6 -2,-0.3 2,-0.5 -0.435 22.4-143.5 -63.3 144.9 16.5 0.9 -2.0 77 89 A L E +d 29 0A 21 -8,-2.2 -12,-0.5 -49,-0.2 2,-0.3 -0.957 42.2 129.5-116.9 115.1 13.6 3.3 -2.3 78 90 A A E -d 30 0A 0 -49,-1.4 -47,-2.0 -2,-0.5 2,-0.5 -0.972 61.2-104.6-153.3 161.3 10.3 1.6 -1.5 79 91 A Y E -E 63 0A 0 -16,-3.1 -16,-2.4 -2,-0.3 2,-0.4 -0.858 43.5-150.1 -86.8 128.6 7.0 1.5 0.4 80 92 A I E -E 62 0A 1 -2,-0.5 7,-2.9 -18,-0.2 8,-0.6 -0.918 9.5-161.0-107.9 137.1 7.4 -1.1 3.0 81 93 A Y E -EG 61 86A 15 -20,-2.5 -20,-2.1 -2,-0.4 2,-0.5 -0.876 8.7-159.2-118.9 140.4 4.5 -3.2 4.4 82 94 A A E > S-EG 60 85A 5 3,-3.5 3,-2.1 -2,-0.4 -22,-0.2 -0.967 85.1 -24.0-121.6 112.1 4.2 -5.2 7.6 83 95 A D T 3 S- 0 0 73 -24,-3.2 -1,-0.2 -2,-0.5 -23,-0.1 0.949 130.6 -48.7 44.9 50.8 1.5 -7.8 7.4 84 96 A G T 3 S+ 0 0 44 -25,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.289 115.9 117.3 82.2 -11.5 -0.1 -5.7 4.8 85 97 A K E < -G 82 0A 145 -3,-2.1 -3,-3.5 1,-0.0 2,-0.6 -0.783 67.4-121.9 -89.7 135.6 0.1 -2.4 6.7 86 98 A M E > -G 81 0A 10 -2,-0.4 4,-2.4 -5,-0.3 -5,-0.3 -0.607 14.5-161.0 -85.7 117.8 2.3 0.3 5.2 87 99 A V H > S+ 0 0 1 -7,-2.9 4,-2.8 -2,-0.6 5,-0.3 0.910 91.0 56.6 -59.2 -44.4 5.1 1.5 7.5 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.907 113.4 39.8 -54.6 -45.2 5.5 4.8 5.6 89 101 A E H > S+ 0 0 63 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.892 112.6 55.2 -74.1 -39.1 1.9 5.7 6.2 90 102 A A H X S+ 0 0 24 -4,-2.4 4,-1.4 1,-0.2 6,-0.2 0.922 107.3 50.1 -63.4 -47.2 1.8 4.4 9.8 91 103 A L H <>S+ 0 0 0 -4,-2.8 5,-2.5 2,-0.2 6,-0.8 0.912 113.5 45.9 -49.2 -53.3 4.8 6.6 10.8 92 104 A V H ><5S+ 0 0 0 -4,-1.6 3,-2.0 -5,-0.3 -2,-0.2 0.931 108.7 55.7 -61.3 -42.2 3.1 9.7 9.2 93 105 A R H 3<5S+ 0 0 77 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.808 109.1 48.1 -60.5 -29.9 -0.3 8.9 10.8 94 106 A Q T 3<5S- 0 0 75 -4,-1.4 -1,-0.3 -3,-0.2 33,-0.2 0.347 114.2-115.8 -93.5 6.2 1.4 8.8 14.3 95 107 A G T < 5S+ 0 0 0 -3,-2.0 32,-2.1 2,-0.2 -3,-0.2 0.805 85.8 118.2 62.7 28.3 3.2 12.1 13.7 96 108 A L S - 0 0 151 -2,-1.2 3,-1.1 3,-0.4 -3,-0.0 -0.746 37.0-116.0 -96.4 151.4 10.1 13.6 -6.2 104 116 A K T 3 S+ 0 0 195 -2,-0.3 3,-0.4 1,-0.3 -1,-0.1 0.778 110.5 54.2 -58.9 -33.0 8.1 13.5 -9.5 105 117 A G T 3 S+ 0 0 43 1,-0.2 -38,-0.6 -39,-0.1 2,-0.5 0.894 114.8 35.5 -61.8 -39.9 9.2 10.0 -10.4 106 118 A N S < S+ 0 0 10 -3,-1.1 -3,-0.4 -40,-0.2 -1,-0.2 -0.660 77.6 107.5-130.2 70.0 8.2 8.3 -7.2 107 119 A N > + 0 0 60 -2,-0.5 3,-1.9 -3,-0.4 4,-0.3 0.123 23.6 129.6-141.4 27.3 5.0 9.7 -5.7 108 120 A T T 3 S+ 0 0 76 1,-0.3 3,-0.4 -3,-0.1 4,-0.2 0.883 85.0 38.3 -50.6 -44.1 2.1 7.2 -6.1 109 121 A H T 3> S+ 0 0 35 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.169 81.4 111.3-101.5 17.6 1.1 7.3 -2.4 110 122 A E H <> S+ 0 0 33 -3,-1.9 4,-2.9 2,-0.2 5,-0.2 0.934 79.6 46.5 -52.8 -52.1 1.7 11.0 -1.8 111 123 A Q H > S+ 0 0 131 -3,-0.4 4,-2.2 -4,-0.3 -1,-0.2 0.904 110.7 52.7 -64.8 -41.6 -1.9 11.9 -1.3 112 124 A L H > S+ 0 0 74 -4,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.920 113.6 44.3 -51.3 -50.8 -2.6 8.9 1.0 113 125 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.883 110.9 53.0 -66.5 -37.5 0.4 10.0 3.2 114 126 A R H X S+ 0 0 97 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.881 106.9 53.5 -65.8 -33.9 -0.6 13.7 3.2 115 127 A K H X S+ 0 0 144 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.958 110.1 47.7 -63.3 -44.9 -4.1 12.6 4.3 116 128 A A H X S+ 0 0 6 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.868 110.5 51.5 -61.9 -42.0 -2.5 10.8 7.2 117 129 A E H X S+ 0 0 16 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.905 105.3 55.6 -63.0 -43.1 -0.3 13.8 8.0 118 130 A A H X S+ 0 0 37 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.902 110.2 46.1 -53.3 -40.9 -3.3 16.0 8.1 119 131 A Q H X S+ 0 0 67 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.933 111.7 49.5 -73.5 -49.5 -4.9 13.7 10.7 120 132 A A H <>S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 4,-0.2 0.861 112.9 49.4 -44.7 -47.4 -1.7 13.5 12.8 121 133 A K H ><5S+ 0 0 85 -4,-2.7 3,-1.8 3,-0.2 -2,-0.2 0.954 108.6 51.8 -64.2 -50.4 -1.6 17.3 12.7 122 134 A K H 3<5S+ 0 0 141 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.938 112.5 45.8 -46.3 -51.6 -5.2 17.6 13.7 123 135 A E T 3<5S- 0 0 90 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.490 107.9-128.0 -74.1 -1.8 -4.5 15.3 16.7 124 136 A K T < 5 - 0 0 135 -3,-1.8 2,-0.4 -4,-0.2 -3,-0.2 0.897 42.1-172.3 51.3 46.5 -1.3 17.3 17.5 125 137 A L > < - 0 0 41 -5,-2.6 3,-3.0 3,-0.2 -1,-0.2 -0.552 40.9 -62.6 -80.8 126.6 0.5 13.9 17.6 126 138 A N G > S+ 0 0 58 -2,-0.4 3,-2.2 1,-0.3 -30,-0.1 -0.139 135.8 32.4 49.2-101.9 4.2 13.7 18.7 127 139 A I G 3 S+ 0 0 41 -32,-2.1 -1,-0.3 1,-0.3 -31,-0.1 0.810 124.8 49.9 -52.6 -30.5 6.1 15.8 16.2 128 140 A W G < 0 0 54 -3,-3.0 -1,-0.3 -33,-0.1 -2,-0.2 0.297 360.0 360.0 -93.5 13.0 3.0 18.1 15.9 129 141 A S < 0 0 105 -3,-2.2 -4,-0.1 -4,-0.1 -5,-0.1 -0.081 360.0 360.0 -97.5 360.0 2.5 18.5 19.7