==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-JAN-12 4DF7 . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.A.CARO,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) . 7280.0 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 . 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 . 6 4.7 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 1 1 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 77 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 156.1 2.4 -0.7 -8.3 2 8 A H - 0 0 115 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.982 360.0-117.3-140.3 155.1 3.0 -4.1 -6.7 3 9 A K - 0 0 83 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.592 27.6-171.2 -87.6 138.6 4.2 -5.7 -3.6 4 10 A E E -A 62 0A 24 58,-2.2 58,-2.7 -2,-0.3 2,-0.0 -0.948 28.0 -97.7-125.2 153.1 7.3 -8.0 -3.5 5 11 A P E +A 61 0A 104 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.313 44.0 157.9 -73.1 152.3 8.7 -10.1 -0.8 6 12 A A E -AB 60 21A 12 54,-1.6 54,-0.7 15,-0.1 2,-0.4 -0.954 26.3-138.3-156.0 162.4 11.5 -9.2 1.6 7 13 A T E - B 0 20A 82 13,-1.7 13,-3.2 -2,-0.3 2,-0.2 -0.967 28.8-103.5-124.0 154.1 12.7 -10.2 5.0 8 14 A L E + B 0 19A 52 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.500 35.6 168.2 -72.4 132.2 14.0 -8.1 7.8 9 15 A I E - 0 0 72 9,-2.6 2,-0.3 1,-0.2 10,-0.2 0.744 69.5 -21.5 -99.4 -52.3 17.7 -8.1 8.5 10 16 A K E - B 0 18A 140 8,-1.9 8,-3.0 0, 0.0 -1,-0.2 -0.959 53.8-120.9-160.7 136.1 17.9 -5.1 10.9 11 17 A A E + B 0 17A 18 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.485 31.9 174.8 -62.4 136.8 15.9 -2.1 12.0 12 18 A I - 0 0 86 4,-1.3 2,-0.2 1,-0.5 5,-0.2 0.618 51.2 -46.9-110.2 -68.9 18.1 1.0 11.5 13 19 A D S S- 0 0 22 3,-1.9 -1,-0.5 33,-0.0 3,-0.4 -0.696 75.7 -58.5-147.7-158.4 16.1 4.1 12.3 14 20 A G S S+ 0 0 0 22,-0.4 77,-0.1 1,-0.2 23,-0.1 0.837 131.2 18.1 -60.5 -38.4 12.7 5.7 11.7 15 21 A D S S+ 0 0 4 21,-0.1 15,-2.4 20,-0.1 2,-0.3 0.273 117.1 64.6-122.0 13.6 13.0 5.8 7.9 16 22 A T E + C 0 29A 12 -3,-0.4 -3,-1.9 13,-0.2 -4,-1.3 -0.987 51.0 164.2-133.8 146.9 15.7 3.3 7.1 17 23 A L E -BC 11 28A 0 11,-1.8 11,-3.1 -2,-0.3 2,-0.6 -0.990 35.0-118.4-154.6 159.6 16.0 -0.4 7.5 18 24 A K E +BC 10 27A 84 -8,-3.0 -9,-2.6 -2,-0.3 -8,-1.9 -0.896 40.3 169.6-104.8 120.0 18.1 -3.3 6.2 19 25 A L E -BC 8 26A 0 7,-2.6 7,-2.5 -2,-0.6 2,-0.7 -0.932 37.5-120.9-125.8 154.2 16.1 -5.9 4.3 20 26 A M E +BC 7 25A 80 -13,-3.2 -13,-1.7 -2,-0.3 2,-0.4 -0.856 36.6 179.0 -92.4 122.7 16.9 -8.9 2.3 21 27 A Y E > -BC 6 24A 21 3,-2.7 3,-2.3 -2,-0.7 -15,-0.1 -0.983 68.4 -9.1-130.7 129.3 15.3 -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 0.839 131.2 -57.2 44.5 38.2 15.7 -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 0.478 118.0 105.2 84.8 3.2 18.1 -12.7 -1.7 24 30 A Q E < S-C 21 0A 126 -3,-2.3 -3,-2.7 -5,-0.0 2,-0.3 -0.925 71.3-117.1-123.9 139.2 20.5 -9.7 -1.3 25 31 A P E +C 20 0A 74 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.546 43.5 162.3 -70.7 132.1 21.0 -7.4 1.7 26 32 A M E -C 19 0A 45 -7,-2.5 -7,-2.6 -2,-0.3 2,-0.5 -0.996 38.6-122.3-146.2 156.3 20.1 -3.9 1.0 27 33 A T E -C 18 0A 46 -2,-0.3 49,-2.6 47,-0.3 2,-0.4 -0.833 30.5-155.8 -91.7 129.4 19.4 -0.7 3.0 28 34 A F E -Cd 17 76A 0 -11,-3.1 -11,-1.8 -2,-0.5 2,-0.4 -0.903 7.1-155.6-104.4 141.7 16.0 0.8 2.2 29 35 A R E -Cd 16 77A 21 47,-3.6 49,-1.4 -2,-0.4 -13,-0.2 -0.969 29.6-115.3-109.9 131.1 14.9 4.4 2.6 30 36 A L E > - d 0 78A 1 -15,-2.4 3,-0.9 -2,-0.4 49,-0.2 -0.449 31.8-119.2 -68.6 125.2 11.2 5.0 3.0 31 37 A L T 3 S+ 0 0 11 47,-2.2 49,-0.1 1,-0.2 -1,-0.1 -0.396 84.3 6.7 -61.6 140.5 9.6 7.0 0.1 32 38 A L T 3 S+ 0 0 2 69,-0.5 68,-1.6 1,-0.2 2,-0.3 0.466 108.2 91.5 73.8 15.0 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 -0.907 51.1-159.9-135.0 169.3 8.8 10.7 4.4 34 40 A D E -H 98 0B 55 64,-1.8 64,-2.1 -2,-0.3 3,-0.1 -0.930 9.6-169.0-149.5 112.5 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 -0.737 37.4 -97.0 -89.7 158.5 11.7 11.0 10.4 36 42 A P - 0 0 17 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.279 47.1-101.2 -65.3 151.8 13.9 13.0 12.8 37 43 A E > - 0 0 88 1,-0.1 3,-2.3 -24,-0.1 6,-0.3 -0.379 37.5-102.7 -72.4 161.0 17.4 11.6 13.2 38 50 A F T 3 S+ 0 0 132 1,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.827 123.0 54.4 -57.6 -32.7 17.9 9.5 16.3 39 51 A N T 3 S+ 0 0 138 4,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.415 100.3 79.0 -82.7 2.5 19.7 12.4 18.0 40 52 A E S X S- 0 0 98 -3,-2.3 3,-2.1 1,-0.1 2,-0.1 -0.606 99.6 -72.0-106.4 166.0 16.8 14.8 17.3 41 53 A K T 3 S+ 0 0 157 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.373 121.7 7.7 -58.3 129.4 13.5 15.3 19.1 42 54 A Y T 3> S+ 0 0 40 -4,-0.1 4,-2.1 -2,-0.1 -1,-0.3 0.372 97.8 112.9 75.1 -1.3 11.2 12.3 18.3 43 55 A G H <> S+ 0 0 0 -3,-2.1 4,-2.7 -6,-0.3 -5,-0.2 0.929 77.0 46.6 -63.7 -48.6 14.0 10.5 16.6 44 56 A P H > S+ 0 0 49 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.873 113.8 49.9 -61.4 -38.1 14.2 7.7 19.2 45 57 A E H > S+ 0 0 97 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.888 110.4 48.8 -68.7 -39.4 10.4 7.4 19.1 46 58 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.928 110.9 51.2 -66.2 -43.8 10.3 7.1 15.4 47 59 A S H X S+ 0 0 17 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.917 110.8 47.6 -56.6 -53.3 13.0 4.5 15.5 48 60 A A H X S+ 0 0 57 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.883 109.6 54.7 -55.0 -38.7 11.1 2.5 18.0 49 61 A F H X S+ 0 0 50 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.943 112.1 40.8 -62.4 -51.8 7.9 2.7 16.0 50 62 A T H X S+ 0 0 1 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.895 113.6 55.0 -63.4 -39.9 9.4 1.4 12.8 51 63 A K H X S+ 0 0 95 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.904 109.4 47.1 -62.3 -44.6 11.4 -1.3 14.7 52 64 A K H X S+ 0 0 138 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.935 110.9 51.4 -64.1 -42.7 8.3 -2.6 16.4 53 65 A M H X S+ 0 0 31 -4,-2.1 4,-0.6 1,-0.2 -2,-0.2 0.936 117.5 37.4 -61.9 -46.7 6.3 -2.7 13.2 54 66 A V H < S+ 0 0 3 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.849 117.0 49.0 -77.6 -34.2 9.0 -4.6 11.3 55 67 A E H < S+ 0 0 104 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.782 114.1 46.7 -73.3 -29.2 10.1 -6.9 14.1 56 68 A N H < S+ 0 0 101 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.588 92.7 108.4 -84.2 -14.5 6.5 -7.9 14.9 57 69 A A < - 0 0 19 -4,-0.6 3,-0.2 -5,-0.2 -3,-0.0 -0.415 51.7-165.3 -75.1 137.7 5.6 -8.5 11.3 58 70 A K S S+ 0 0 186 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.770 85.3 30.7 -84.6 -24.1 5.0 -11.9 9.9 59 71 A K - 0 0 117 -52,-0.0 24,-3.0 2,-0.0 2,-0.4 -0.975 65.9-170.5-142.1 118.3 5.3 -10.6 6.4 60 72 A I E -AE 6 82A 13 -54,-0.7 -54,-1.6 -2,-0.4 2,-0.4 -0.897 12.9-177.2-106.2 139.5 7.4 -7.7 5.1 61 73 A E E -AE 5 81A 30 20,-2.2 20,-3.0 -2,-0.4 2,-0.4 -0.988 15.6-147.2-133.5 152.1 6.9 -6.4 1.5 62 74 A V E -AE 4 80A 0 -58,-2.7 -58,-2.2 -2,-0.4 2,-0.5 -0.909 7.8-168.0-118.0 140.5 8.4 -3.8 -0.6 63 75 A E E - E 0 79A 14 16,-2.4 16,-3.0 -2,-0.4 -60,-0.2 -0.926 9.9-154.1-127.3 115.5 6.7 -1.8 -3.2 64 76 A F - 0 0 12 -62,-0.5 -62,-0.4 -2,-0.5 14,-0.2 -0.437 14.7-131.2 -80.9 155.8 8.8 0.3 -5.6 65 77 A D - 0 0 5 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.140 35.0 -89.4 -88.9-167.8 7.3 3.3 -7.3 66 78 A K S S+ 0 0 153 39,-0.2 40,-0.2 -2,-0.1 3,-0.1 0.607 103.9 48.9 -83.1 -9.7 7.4 4.1 -11.0 67 79 A G S S- 0 0 31 1,-0.3 39,-0.1 38,-0.2 38,-0.1 0.142 105.2 -6.9-109.8-146.4 10.7 6.0 -10.9 68 80 A Q - 0 0 148 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.240 47.2-166.8 -55.8 139.2 14.2 5.5 -9.5 69 81 A R S S+ 0 0 112 1,-0.1 8,-2.2 -3,-0.1 2,-0.3 0.561 72.4 44.2-107.1 -10.2 14.5 2.5 -7.3 70 82 A T B S-F 76 0A 72 6,-0.3 6,-0.2 -42,-0.1 -1,-0.1 -0.982 75.1-140.1-129.6 140.2 17.9 3.3 -5.7 71 83 A D > - 0 0 35 4,-2.7 3,-2.0 -2,-0.3 -2,-0.1 -0.329 40.8 -88.4 -88.7-177.1 19.1 6.7 -4.4 72 84 A K T 3 S+ 0 0 177 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.581 128.5 55.2 -67.3 -14.4 22.5 8.2 -4.8 73 85 A Y T 3 S- 0 0 165 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.305 121.0-106.5 -95.5 4.5 23.7 6.4 -1.6 74 86 A G S < S+ 0 0 47 -3,-2.0 2,-0.3 1,-0.3 -47,-0.3 0.604 72.8 144.5 80.6 5.6 22.6 3.0 -3.0 75 87 A R - 0 0 67 -49,-0.1 -4,-2.7 -47,-0.1 -1,-0.3 -0.682 54.6-115.9 -76.6 138.3 19.6 2.8 -0.7 76 88 A G E -dF 28 70A 0 -49,-2.6 -47,-3.6 -2,-0.3 2,-0.6 -0.468 24.1-143.9 -67.0 143.2 16.4 1.1 -2.1 77 89 A L E +d 29 0A 25 -8,-2.2 -12,-0.5 -49,-0.2 2,-0.3 -0.956 42.4 130.4-113.9 113.3 13.5 3.6 -2.4 78 90 A A E -d 30 0A 0 -49,-1.4 -47,-2.2 -2,-0.6 2,-0.5 -0.981 61.9-105.9-150.3 166.6 10.2 2.0 -1.6 79 91 A Y E -E 63 0A 0 -16,-3.0 -16,-2.4 -2,-0.3 2,-0.5 -0.851 44.3-153.2 -91.7 132.4 7.0 1.9 0.2 80 92 A I E -E 62 0A 0 -2,-0.5 7,-3.3 -18,-0.2 8,-0.6 -0.946 7.9-160.1-117.6 132.6 7.4 -0.8 2.9 81 93 A Y E -EG 61 86A 17 -20,-3.0 -20,-2.2 -2,-0.5 2,-0.5 -0.876 9.3-161.1-115.3 140.4 4.5 -2.9 4.3 82 94 A A E > S-EG 60 85A 7 3,-2.8 3,-1.9 -2,-0.4 -22,-0.2 -0.968 85.7 -23.1-117.8 114.7 4.3 -4.9 7.6 83 95 A D T 3 S- 0 0 86 -24,-3.0 -1,-0.1 -2,-0.5 -23,-0.1 0.892 130.1 -50.0 47.4 43.4 1.5 -7.4 7.5 84 96 A G T 3 S+ 0 0 42 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.342 114.3 116.1 86.5 -7.1 -0.2 -5.2 4.9 85 97 A K E < -G 82 0A 118 -3,-1.9 -3,-2.8 -32,-0.1 2,-0.5 -0.856 67.9-124.5 -98.2 128.8 0.1 -1.9 6.7 86 98 A M E > -G 81 0A 6 -2,-0.5 4,-2.2 -5,-0.2 -5,-0.3 -0.523 13.5-157.4 -73.9 125.6 2.3 0.7 5.0 87 99 A I H > S+ 0 0 0 -7,-3.3 4,-2.5 -2,-0.5 5,-0.3 0.912 92.1 57.8 -69.9 -39.7 5.1 1.9 7.5 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.943 111.8 41.1 -55.9 -50.5 5.5 5.1 5.6 89 101 A E H > S+ 0 0 66 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.895 112.6 54.4 -63.3 -45.0 1.9 6.0 6.1 90 102 A A H X S+ 0 0 7 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.884 107.2 50.6 -59.6 -45.7 1.8 4.8 9.7 91 103 A L H <>S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 6,-0.7 0.930 113.4 45.7 -56.0 -50.2 4.7 7.0 10.7 92 104 A V H ><5S+ 0 0 0 -4,-1.7 3,-2.1 -5,-0.3 -2,-0.2 0.935 109.6 54.0 -60.4 -44.1 3.1 10.1 9.2 93 105 A R H 3<5S+ 0 0 77 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.798 109.5 49.8 -63.6 -27.9 -0.3 9.3 10.7 94 106 A Q T 3<5S- 0 0 73 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.381 115.3-113.7 -89.5 5.6 1.4 9.2 14.1 95 107 A G T < 5S+ 0 0 0 -3,-2.1 32,-2.3 2,-0.2 -3,-0.2 0.813 87.4 115.8 65.5 27.3 3.2 12.5 13.8 96 108 A L S - 0 0 153 -2,-1.3 3,-2.0 3,-0.4 -3,-0.0 -0.803 33.5-101.8 -95.7 140.3 10.1 13.9 -6.2 104 116 A K T 3 S+ 0 0 202 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.170 106.8 25.3 -53.4 138.3 8.2 13.7 -9.5 105 117 A G T 3 S+ 0 0 35 -38,-0.1 -1,-0.3 1,-0.0 -39,-0.2 0.310 116.4 62.4 85.7 -18.0 7.8 10.2 -10.8 106 118 A N S < S+ 0 0 13 -3,-2.0 -3,-0.4 -40,-0.2 -74,-0.1 -0.425 76.6 96.5-125.0 57.2 8.1 8.5 -7.4 107 119 A N > + 0 0 57 -5,-0.1 3,-1.7 1,-0.1 4,-0.3 0.071 31.9 129.4-133.7 30.4 5.1 10.1 -5.9 108 120 A T T 3 S+ 0 0 66 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.879 81.7 38.6 -55.3 -45.3 2.3 7.6 -6.3 109 121 A H T 3> S+ 0 0 37 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.147 82.2 113.8 -93.3 18.2 1.2 7.6 -2.6 110 122 A E H <> S+ 0 0 38 -3,-1.7 4,-3.0 2,-0.2 5,-0.2 0.942 77.7 44.5 -53.8 -51.6 1.6 11.3 -2.0 111 123 A Q H > S+ 0 0 128 -3,-0.3 4,-2.3 -4,-0.3 -1,-0.2 0.906 110.8 54.7 -69.2 -35.5 -2.0 12.2 -1.4 112 124 A L H > S+ 0 0 75 -4,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.931 113.0 43.5 -57.6 -45.8 -2.6 9.2 0.8 113 125 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.906 110.7 53.6 -70.6 -39.6 0.4 10.4 3.0 114 126 A R H X S+ 0 0 94 -4,-3.0 4,-2.4 -5,-0.2 -1,-0.2 0.895 106.6 53.3 -62.1 -33.1 -0.7 14.0 3.0 115 127 A K H X S+ 0 0 147 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.927 109.6 49.0 -68.3 -36.2 -4.1 13.0 4.2 116 128 A A H X S+ 0 0 7 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.862 109.6 51.5 -67.4 -42.6 -2.5 11.1 7.1 117 129 A E H X S+ 0 0 20 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.928 106.0 54.7 -62.8 -39.3 -0.3 14.1 7.9 118 130 A A H X S+ 0 0 35 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.917 110.0 47.2 -58.7 -41.5 -3.3 16.4 8.0 119 131 A Q H X S+ 0 0 64 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.929 111.8 48.9 -72.3 -40.2 -5.0 14.1 10.6 120 132 A A H <>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 -1,-0.2 0.871 112.6 49.6 -58.1 -43.7 -1.8 13.9 12.7 121 133 A K H ><5S+ 0 0 96 -4,-2.8 3,-1.2 3,-0.2 -2,-0.2 0.877 109.2 51.5 -61.4 -43.3 -1.6 17.7 12.6 122 134 A K H 3<5S+ 0 0 142 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.886 111.8 47.2 -61.2 -39.8 -5.3 18.0 13.6 123 135 A E T 3<5S- 0 0 85 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.421 106.8-130.5 -81.1 1.5 -4.6 15.7 16.5 124 136 A K T < 5 - 0 0 155 -3,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.856 43.5-179.9 44.8 45.8 -1.5 17.7 17.4 125 137 A L > < - 0 0 42 -5,-2.4 3,-2.8 3,-0.1 2,-0.2 -0.575 43.4 -55.5 -82.7 133.7 0.5 14.4 17.6 126 138 A N G > S+ 0 0 51 -2,-0.4 3,-2.0 1,-0.3 -30,-0.2 -0.213 135.7 26.5 52.3-104.6 4.2 14.1 18.5 127 139 A I G 3 S+ 0 0 39 -32,-2.3 -1,-0.3 1,-0.3 -31,-0.1 0.823 126.6 51.8 -57.0 -34.3 6.1 16.4 16.0 128 140 A W G < 0 0 58 -3,-2.8 -1,-0.3 -33,-0.1 -2,-0.2 0.267 360.0 360.0 -88.8 9.8 2.9 18.4 15.7 129 141 A S < 0 0 103 -3,-2.0 -4,-0.1 -4,-0.2 -5,-0.1 -0.611 360.0 360.0 -81.6 360.0 2.5 18.9 19.5