==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (PHOSPHORIC DIESTER) 25-AUG-94 1KDC . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.HODEL,R.O.FOX . 136 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7776.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 25.0 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 . 3 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 2.2 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 . 9 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 20.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.5 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 2 0 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 . 2 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 6 A K 0 0 257 0, 0.0 2,-0.2 0, 0.0 71,-0.0 0.000 360.0 360.0 360.0 150.5 -2.2 38.4 22.8 2 7 A L - 0 0 48 68,-0.1 2,-0.3 113,-0.0 70,-0.1 -0.520 360.0-167.9 -85.3 154.4 0.3 36.2 21.2 3 8 A H - 0 0 110 68,-0.3 68,-0.5 -2,-0.2 2,-0.3 -0.990 18.9-121.5-142.8 149.7 3.4 37.6 19.4 4 9 A K E -A 70 0A 93 -2,-0.3 66,-0.2 66,-0.2 83,-0.1 -0.700 25.9-168.3 -92.4 144.5 6.0 36.1 17.1 5 10 A E E -A 69 0A 22 64,-2.5 64,-2.8 -2,-0.3 2,-0.0 -0.949 27.0 -99.7-129.9 152.2 9.7 36.2 18.1 6 11 A P E +A 68 0A 108 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.325 41.3 169.7 -69.6 151.8 12.8 35.5 16.0 7 12 A A E -A 67 0A 11 60,-1.7 60,-0.6 15,-0.1 2,-0.4 -0.922 26.2-129.2-151.0 166.6 14.7 32.2 16.2 8 13 A T E -B 21 0A 93 13,-1.8 13,-2.6 -2,-0.3 58,-0.0 -0.984 23.5-118.2-130.2 124.5 17.4 30.6 14.2 9 14 A L E +B 20 0A 44 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.301 35.3 166.8 -59.4 134.5 17.3 27.1 12.7 10 15 A I E - 0 0 76 9,-2.4 2,-0.3 1,-0.2 10,-0.2 0.664 68.0 -28.4-109.7 -54.1 20.0 24.9 14.0 11 16 A K E -B 19 0A 123 8,-2.0 8,-3.6 0, 0.0 2,-0.3 -0.949 51.2-125.5-167.1 136.5 18.6 21.5 12.8 12 17 A A E +B 18 0A 9 -2,-0.3 6,-0.2 6,-0.3 3,-0.1 -0.669 27.9 178.6 -81.9 141.2 15.2 19.9 11.9 13 18 A I - 0 0 42 4,-2.2 2,-0.3 1,-0.4 5,-0.2 0.767 56.0 -17.9-115.0 -40.3 14.8 16.6 13.8 14 19 A D S S- 0 0 5 3,-2.5 -1,-0.4 39,-0.1 3,-0.3 -0.838 78.2 -82.0-153.3-176.7 11.5 15.1 13.0 15 20 A G S S+ 0 0 0 22,-0.3 23,-0.1 -2,-0.3 83,-0.1 0.889 130.9 30.7 -64.0 -35.3 8.2 16.2 11.5 16 21 A D S S+ 0 0 6 21,-0.1 15,-3.0 20,-0.1 2,-0.4 0.363 116.6 61.5-105.6 7.0 7.0 17.6 14.9 17 22 A T E + C 0 30A 10 -3,-0.3 -3,-2.5 13,-0.2 -4,-2.2 -0.984 50.4 170.4-142.8 129.3 10.4 18.7 16.3 18 23 A V E -BC 12 29A 1 11,-1.8 11,-2.9 -2,-0.4 2,-0.6 -0.967 29.5-128.8-135.5 146.6 13.0 21.2 15.3 19 24 A K E +BC 11 28A 81 -8,-3.6 -9,-2.4 -2,-0.3 -8,-2.0 -0.885 36.1 177.3 -99.6 121.0 16.1 22.4 17.1 20 25 A L E -BC 9 27A 0 7,-2.7 7,-2.9 -2,-0.6 2,-0.7 -0.835 36.7-121.4-123.3 161.6 16.3 26.2 17.2 21 26 A M E -BC 8 26A 76 -13,-2.6 -13,-1.8 -2,-0.3 2,-0.5 -0.914 39.9-179.7 -99.4 110.5 18.6 29.0 18.6 22 27 A Y E > - C 0 25A 26 3,-3.1 3,-1.1 -2,-0.7 -15,-0.1 -0.973 64.7 -19.3-121.7 119.6 16.1 31.0 20.7 23 28 A K T 3 S- 0 0 161 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.925 129.0 -50.4 51.2 48.9 17.3 34.1 22.6 24 29 A G T 3 S+ 0 0 68 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.661 119.5 115.1 65.5 20.6 20.9 32.9 22.4 25 30 A Q E < -C 22 0A 114 -3,-1.1 -3,-3.1 2,-0.0 2,-0.4 -0.973 65.3-133.8-128.6 120.5 19.8 29.5 23.7 26 31 A P E +C 21 0A 68 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.607 42.2 164.2 -70.9 126.0 20.0 26.2 21.8 27 32 A M E -C 20 0A 36 -7,-2.9 -7,-2.7 -2,-0.4 2,-0.4 -0.985 41.0-125.2-145.2 156.6 16.6 24.4 22.3 28 33 A T E -C 19 0A 40 -2,-0.3 55,-2.3 53,-0.3 2,-0.4 -0.833 30.1-157.6 -99.9 132.3 14.5 21.6 20.9 29 34 A F E -Cd 18 83A 0 -11,-2.9 -11,-1.8 -2,-0.4 2,-0.5 -0.952 6.6-153.1-115.9 137.1 11.0 22.8 20.0 30 35 A R E -Cd 17 84A 34 53,-3.0 55,-1.5 -2,-0.4 2,-0.4 -0.936 30.3-114.4-107.5 129.0 8.0 20.6 19.8 31 36 A L E > - d 0 85A 1 -15,-3.0 3,-1.0 -2,-0.5 55,-0.2 -0.520 34.7-116.6 -68.8 124.3 5.3 21.9 17.4 32 37 A L T 3 S+ 0 0 11 53,-3.0 55,-0.1 -2,-0.4 -1,-0.1 -0.248 83.4 0.9 -61.6 143.0 2.1 22.8 19.3 33 38 A L T 3 S+ 0 0 14 80,-0.1 74,-2.4 75,-0.1 2,-0.4 0.453 101.7 103.9 60.9 12.9 -1.1 20.9 18.6 34 39 A V E < -H 106 0B 0 -3,-1.0 2,-0.6 72,-0.3 72,-0.2 -0.960 48.7-160.8-130.3 140.7 0.0 18.4 15.9 35 40 A D E -H 105 0B 77 70,-2.9 70,-2.5 -2,-0.4 -3,-0.0 -0.969 20.8-173.9-115.2 111.8 0.8 14.7 16.0 36 41 A T - 0 0 9 -2,-0.6 68,-0.2 68,-0.2 -20,-0.1 -0.706 35.4 -95.8-102.9 156.1 2.9 13.7 13.0 37 42 A P - 0 0 12 0, 0.0 -22,-0.3 0, 0.0 2,-0.3 -0.475 52.2-130.2 -67.6 145.3 3.9 10.2 12.0 38 43 A E - 0 0 41 1,-0.1 9,-3.4 -2,-0.1 12,-0.3 -0.677 32.4-170.2-108.2 156.7 7.4 9.5 13.4 39 44 A T S S+ 0 0 34 7,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.635 101.5 34.7-101.6 -36.6 10.7 8.2 12.2 40 45 A K S S+ 0 0 125 10,-0.1 6,-0.2 6,-0.1 -1,-0.1 -0.625 81.5 156.9-120.4 67.6 12.0 8.0 15.7 41 46 A H B > -I 45 0C 48 4,-1.5 4,-2.3 -2,-0.3 -3,-0.0 -0.873 49.1-118.9 -95.1 128.5 8.9 7.0 17.7 42 47 A P T 4 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.731 99.5 3.4 -28.9 -64.4 9.6 5.3 21.1 43 48 A K T 4 S+ 0 0 183 2,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.904 133.0 47.0 -95.5 -57.3 7.8 2.0 20.4 44 49 A K T 4 S- 0 0 122 1,-0.2 2,-0.4 -4,-0.0 -1,-0.1 0.657 83.2-163.8 -62.5 -22.0 6.6 2.0 16.8 45 50 A G B < +I 41 0C 27 -4,-2.3 -4,-1.5 1,-0.1 2,-0.8 -0.601 62.3 11.8 76.8-124.5 9.8 3.3 15.2 46 51 A V S S- 0 0 99 -2,-0.4 -7,-0.3 -6,-0.2 2,-0.1 -0.819 79.2-165.9 -95.6 102.3 9.4 4.6 11.6 47 52 A E > - 0 0 48 -9,-3.4 3,-2.0 -2,-0.8 2,-0.2 -0.404 34.3 -77.6 -85.0 164.4 5.7 4.9 10.9 48 53 A K T 3 S+ 0 0 157 1,-0.3 -1,-0.1 2,-0.1 -10,-0.1 -0.438 120.3 14.8 -67.3 128.2 4.0 5.4 7.5 49 54 A Y T 3> S+ 0 0 40 -2,-0.2 4,-3.1 -3,-0.1 5,-0.3 0.319 94.8 116.2 84.9 2.5 4.3 9.0 6.3 50 55 A G H <> S+ 0 0 0 -3,-2.0 4,-2.5 -12,-0.3 -11,-0.3 0.955 76.7 42.8 -62.7 -53.9 7.0 9.6 8.9 51 56 A P H > S+ 0 0 64 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.824 116.6 50.6 -61.3 -34.2 9.8 10.3 6.4 52 57 A E H > S+ 0 0 95 2,-0.2 4,-2.7 3,-0.2 -2,-0.2 0.948 111.7 44.1 -68.6 -53.3 7.4 12.4 4.4 53 58 A A H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 5,-0.2 0.908 116.3 50.7 -60.2 -37.2 6.2 14.6 7.4 54 59 A S H X S+ 0 0 26 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.906 111.4 45.5 -66.7 -43.7 9.9 14.8 8.4 55 60 A A H X S+ 0 0 56 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.865 111.3 54.5 -69.2 -36.2 11.1 15.9 4.9 56 61 A F H X S+ 0 0 45 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.976 110.6 43.2 -61.2 -56.5 8.3 18.4 4.6 57 62 A T H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.3 0.945 115.2 51.5 -54.5 -48.8 9.1 20.2 7.9 58 63 A K H X S+ 0 0 91 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.901 111.4 45.7 -54.1 -48.6 12.8 20.1 7.1 59 64 A K H X S+ 0 0 120 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.942 112.1 52.9 -63.2 -45.9 12.3 21.6 3.6 60 65 A M H < S+ 0 0 24 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.872 117.1 35.0 -59.6 -43.1 10.0 24.3 5.0 61 66 A V H >< S+ 0 0 4 -4,-2.4 3,-1.1 -5,-0.2 -1,-0.2 0.869 114.6 55.7 -83.0 -35.2 12.4 25.5 7.7 62 67 A E H 3< S+ 0 0 94 -4,-2.6 -2,-0.2 -5,-0.3 -3,-0.2 0.824 110.2 44.8 -68.0 -30.8 15.6 25.0 5.8 63 68 A N T 3< S+ 0 0 118 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.390 90.9 116.4 -94.7 7.8 14.5 27.2 2.9 64 69 A A < - 0 0 25 -3,-1.1 3,-0.2 1,-0.1 -3,-0.1 -0.418 52.9-158.5 -79.5 145.9 13.1 29.9 5.1 65 70 A K S S+ 0 0 187 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.836 86.8 22.8 -84.2 -41.6 14.5 33.5 5.1 66 71 A K - 0 0 143 -58,-0.0 24,-2.7 2,-0.0 2,-0.4 -0.989 65.6-164.3-132.1 127.9 13.0 34.1 8.6 67 72 A I E -AE 7 89A 16 -60,-0.6 -60,-1.7 -2,-0.4 2,-0.3 -0.903 14.9-177.0-109.7 133.2 11.9 31.6 11.3 68 73 A E E -AE 6 88A 52 20,-2.2 20,-3.2 -2,-0.4 2,-0.4 -0.982 14.9-149.5-130.5 146.4 9.7 32.9 14.1 69 74 A V E -AE 5 87A 0 -64,-2.8 -64,-2.5 -2,-0.3 2,-0.5 -0.914 6.0-166.4-114.6 139.5 8.3 31.2 17.2 70 75 A E E -AE 4 86A 10 16,-2.0 16,-2.1 -2,-0.4 -66,-0.2 -0.953 11.2-153.2-127.8 107.1 4.9 32.1 18.8 71 76 A F E - E 0 85A 15 -68,-0.5 -68,-0.3 -2,-0.5 14,-0.2 -0.454 14.7-131.5 -75.3 153.5 4.4 30.8 22.3 72 77 A D - 0 0 2 12,-0.6 41,-0.1 3,-0.2 -1,-0.1 -0.158 33.2 -90.9 -89.7-165.0 0.8 30.2 23.4 73 78 A K S S+ 0 0 116 39,-0.5 40,-0.1 -2,-0.1 3,-0.1 0.380 102.6 62.3 -94.2 8.5 -0.7 31.4 26.7 74 79 A G S S- 0 0 18 1,-0.3 2,-0.1 37,-0.1 -3,-0.0 -0.031 106.9 -28.3-105.8-148.5 0.1 28.3 28.8 75 80 A Q - 0 0 111 1,-0.1 -1,-0.3 -2,-0.1 -3,-0.2 -0.375 49.9-149.2 -66.9 148.5 3.4 26.8 29.8 76 81 A R S S+ 0 0 123 -3,-0.1 8,-2.3 -5,-0.1 2,-0.3 0.471 76.2 42.5-100.0 -4.1 6.2 27.3 27.3 77 82 A T B S-F 83 0A 72 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.971 73.7-137.1-139.1 147.0 8.2 24.1 27.8 78 83 A D > - 0 0 33 4,-2.1 3,-2.0 -2,-0.3 -2,-0.1 -0.373 43.6 -83.8 -92.2-174.8 7.0 20.5 28.3 79 84 A K T 3 S+ 0 0 172 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.675 128.5 57.2 -64.8 -17.9 8.3 17.9 30.8 80 85 A Y T 3 S- 0 0 164 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.412 120.9-106.7 -92.6 1.7 11.1 17.0 28.4 81 86 A G S < S+ 0 0 47 -3,-2.0 2,-0.4 1,-0.3 -53,-0.3 0.575 72.5 143.6 86.9 7.2 12.4 20.6 28.3 82 87 A R - 0 0 63 -55,-0.1 -4,-2.1 -53,-0.1 -1,-0.3 -0.682 53.7-118.4 -85.1 132.3 11.1 21.2 24.8 83 88 A G E -dF 29 77A 0 -55,-2.3 -53,-3.0 -2,-0.4 2,-0.7 -0.374 23.2-140.6 -63.2 143.7 9.7 24.6 23.9 84 89 A L E +d 30 0A 26 -8,-2.3 -12,-0.6 -55,-0.2 2,-0.3 -0.935 43.2 137.3-112.6 110.4 6.0 24.4 22.9 85 90 A A E -dE 31 71A 0 -55,-1.5 -53,-3.0 -2,-0.7 2,-0.6 -0.914 59.4-111.8-149.7 168.6 5.3 26.8 20.1 86 91 A Y E - E 0 70A 0 -16,-2.1 -16,-2.0 -2,-0.3 2,-0.5 -0.943 43.4-146.1 -98.2 121.5 3.7 27.5 16.7 87 92 A I E - E 0 69A 1 -2,-0.6 7,-3.0 -18,-0.2 8,-0.6 -0.880 9.8-157.7 -99.4 131.8 6.6 27.8 14.3 88 93 A Y E -GE 93 68A 18 -20,-3.2 -20,-2.2 -2,-0.5 2,-0.6 -0.915 6.8-164.9-111.4 129.0 6.4 30.2 11.3 89 94 A A E > S-GE 92 67A 5 3,-3.3 3,-2.4 -2,-0.4 -22,-0.2 -0.948 83.0 -27.7-112.5 105.1 8.5 29.9 8.2 90 95 A D T 3 S- 0 0 55 -24,-2.7 -1,-0.2 -2,-0.6 -23,-0.1 0.932 128.2 -47.7 54.3 46.8 8.4 33.2 6.3 91 96 A G T 3 S+ 0 0 50 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.337 116.4 113.7 80.9 -9.9 5.0 33.9 7.8 92 97 A K E < -G 89 0A 129 -3,-2.4 -3,-3.3 4,-0.0 2,-0.5 -0.863 69.6-124.3 -98.0 131.3 3.6 30.5 7.0 93 98 A M E > -G 88 0A 17 -2,-0.5 4,-2.3 -5,-0.2 -5,-0.3 -0.561 13.3-158.4 -75.9 119.1 2.8 28.3 10.1 94 99 A V H > S+ 0 0 1 -7,-3.0 4,-2.2 -2,-0.5 5,-0.2 0.893 92.1 59.5 -62.3 -39.3 4.6 25.0 9.8 95 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.4 1,-0.2 -1,-0.2 0.930 111.6 38.4 -55.8 -48.1 2.1 23.5 12.2 96 101 A E H > S+ 0 0 41 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.867 110.3 60.6 -71.5 -39.4 -0.9 24.3 10.0 97 102 A A H X S+ 0 0 14 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.909 105.6 47.7 -55.8 -43.9 1.0 23.5 6.8 98 103 A L H <>S+ 0 0 0 -4,-2.2 5,-2.8 2,-0.2 6,-0.5 0.911 112.9 47.5 -64.8 -44.7 1.6 19.9 7.9 99 104 A V H ><5S+ 0 0 0 -4,-1.4 3,-2.2 4,-0.2 5,-0.3 0.959 109.5 54.2 -61.6 -47.0 -2.1 19.4 8.9 100 105 A R H 3<5S+ 0 0 73 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.778 108.0 50.4 -57.6 -31.5 -3.2 20.9 5.6 101 106 A Q T 3<5S- 0 0 82 -4,-1.5 -1,-0.3 -5,-0.2 33,-0.2 0.308 115.3-114.0 -89.0 5.0 -1.1 18.4 3.6 102 107 A G T < 5S+ 0 0 0 -3,-2.2 32,-2.4 2,-0.2 -3,-0.2 0.853 86.5 120.4 66.5 27.4 -2.5 15.5 5.6 103 108 A L S + 0 0 54 -2,-1.9 3,-2.0 -4,-0.1 4,-0.3 0.232 27.7 124.9-140.2 15.3 -5.1 25.9 22.5 115 120 A T T 3 S+ 0 0 63 -3,-0.3 3,-0.4 1,-0.3 4,-0.2 0.870 85.3 33.1 -47.2 -48.4 -5.3 29.3 20.8 116 121 A H T 3> S+ 0 0 39 1,-0.2 4,-2.0 2,-0.1 -1,-0.3 0.083 83.8 112.9 -99.2 24.4 -5.1 28.0 17.1 117 122 A E H <> S+ 0 0 38 -3,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.914 77.9 47.0 -63.2 -42.8 -6.9 24.7 17.7 118 123 A Q H > S+ 0 0 118 -3,-0.4 4,-1.9 -4,-0.3 -1,-0.2 0.918 109.8 52.9 -64.5 -45.7 -10.0 25.7 15.6 119 124 A H H > S+ 0 0 87 1,-0.2 4,-1.6 -4,-0.2 -1,-0.2 0.918 111.8 46.7 -55.7 -44.2 -7.9 26.9 12.7 120 125 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.850 107.5 55.3 -68.4 -37.0 -6.0 23.6 12.7 121 126 A R H X S+ 0 0 79 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.857 106.3 53.5 -65.5 -30.4 -9.2 21.5 12.9 122 127 A K H X S+ 0 0 147 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.923 109.3 46.8 -68.7 -42.9 -10.4 23.4 9.8 123 128 A S H X S+ 0 0 12 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.837 112.5 50.7 -67.4 -33.8 -7.3 22.5 7.8 124 129 A E H X S+ 0 0 16 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.846 107.8 52.0 -70.9 -39.3 -7.4 18.9 8.9 125 130 A A H X S+ 0 0 47 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.893 111.9 47.5 -65.2 -38.4 -11.1 18.6 7.9 126 131 A Q H X S+ 0 0 64 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.960 112.5 48.3 -66.1 -48.7 -10.1 20.0 4.5 127 132 A A H <>S+ 0 0 0 -4,-2.5 5,-2.2 2,-0.2 4,-0.3 0.875 111.9 49.3 -57.9 -41.0 -7.2 17.6 4.2 128 133 A K H ><5S+ 0 0 90 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.950 110.9 50.9 -62.7 -47.4 -9.4 14.7 5.2 129 134 A K H 3<5S+ 0 0 142 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.829 110.3 47.8 -58.5 -40.1 -11.9 15.7 2.6 130 135 A E T 3<5S- 0 0 87 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.445 110.3-127.5 -81.1 -2.3 -9.3 15.9 -0.1 131 136 A K T < 5 - 0 0 144 -3,-1.5 2,-0.3 -4,-0.3 -3,-0.2 0.881 42.0-179.1 56.5 46.9 -8.1 12.5 1.0 132 137 A L > < - 0 0 46 -5,-2.2 3,-3.3 3,-0.2 -1,-0.2 -0.617 43.9 -63.4 -86.9 135.7 -4.5 13.6 1.4 133 138 A N G > S+ 0 0 51 -2,-0.3 3,-1.6 1,-0.3 -30,-0.1 -0.039 135.4 33.5 35.9 -94.2 -1.6 11.3 2.5 134 139 A I G 3 S+ 0 0 51 -32,-2.4 -1,-0.3 1,-0.3 -31,-0.1 0.888 128.5 43.9 -53.4 -37.9 -2.6 10.2 6.0 135 140 A W G < 0 0 51 -3,-3.3 -1,-0.3 -33,-0.2 -2,-0.2 0.350 360.0 360.0 -90.6 4.3 -6.2 10.4 4.9 136 141 A S < 0 0 95 -3,-1.6 -4,-0.1 -34,-0.2 -5,-0.1 -0.470 360.0 360.0 -64.5 360.0 -5.8 8.6 1.5