==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(PHOSPHORIC DIESTER) 18-DEC-92 1KAB . 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) . 7746.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 91 66.9 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 . 33 24.3 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 . 11 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 19.9 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 . 1 2 1 0 2 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 0 240 0, 0.0 2,-0.2 0, 0.0 71,-0.0 0.000 360.0 360.0 360.0 139.5 -2.4 38.5 22.8 2 7 A L - 0 0 44 68,-0.1 2,-0.3 2,-0.0 70,-0.1 -0.587 360.0-167.0 -86.7 152.6 0.2 36.2 21.2 3 8 A H - 0 0 110 68,-0.3 68,-0.5 -2,-0.2 2,-0.3 -0.989 19.7-116.7-137.7 147.1 3.2 37.6 19.5 4 9 A K - 0 0 87 -2,-0.3 66,-0.2 66,-0.2 83,-0.1 -0.613 26.3-166.1 -85.3 137.1 5.9 36.3 17.2 5 10 A E E -A 69 0A 37 64,-2.7 64,-2.9 -2,-0.3 -2,-0.0 -0.949 25.1-106.0-118.8 144.9 9.6 36.3 18.2 6 11 A P E +A 68 0A 108 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.327 40.3 171.3 -69.0 149.6 12.7 35.7 16.0 7 12 A A E -A 67 0A 14 60,-2.0 60,-0.7 15,-0.1 2,-0.4 -0.949 25.3-130.1-148.0 163.8 14.7 32.5 16.1 8 13 A T E -B 21 0A 96 13,-2.2 13,-2.8 -2,-0.3 2,-0.2 -0.971 25.4-116.7-119.5 134.2 17.5 30.9 14.2 9 14 A L E +B 20 0A 45 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.491 36.2 164.7 -66.5 125.7 17.5 27.4 12.7 10 15 A I E - 0 0 74 9,-2.5 2,-0.3 1,-0.3 10,-0.2 0.708 68.2 -27.8 -98.5 -56.5 20.1 25.0 14.2 11 16 A K E -B 19 0A 105 8,-1.8 8,-3.4 0, 0.0 2,-0.4 -0.988 48.9-125.8-157.3 136.7 18.7 21.7 13.0 12 17 A A E -B 18 0A 13 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.725 28.3-179.4 -78.0 136.2 15.3 19.9 12.0 13 18 A I E - 0 0 41 4,-2.4 2,-0.2 1,-0.4 5,-0.2 0.789 57.3 -24.8-103.7 -45.3 15.0 16.7 14.1 14 19 A D E > S-B 17 0A 6 3,-2.0 3,-0.7 40,-0.1 -1,-0.4 -0.883 79.9 -76.6-154.0-177.8 11.8 15.1 13.0 15 20 A G T 3 S+ 0 0 0 22,-0.4 23,-0.1 -2,-0.2 83,-0.1 0.895 132.0 32.1 -59.7 -26.6 8.4 16.2 11.5 16 21 A D T 3 S+ 0 0 7 21,-0.1 15,-2.8 20,-0.1 2,-0.4 0.366 114.9 62.2-111.1 3.2 7.2 17.6 14.9 17 22 A T E < +BC 14 30A 11 -3,-0.7 -4,-2.4 13,-0.2 -3,-2.0 -0.982 49.4 170.4-142.0 128.6 10.5 18.8 16.4 18 23 A V E -BC 12 29A 1 11,-2.1 11,-3.0 -2,-0.4 2,-0.5 -0.993 27.6-131.5-136.5 145.9 13.2 21.3 15.4 19 24 A K E +BC 11 28A 83 -8,-3.4 -9,-2.5 -2,-0.3 -8,-1.8 -0.859 33.8 177.3-102.4 129.3 16.2 22.7 17.3 20 25 A L E -BC 9 27A 0 7,-2.9 7,-3.0 -2,-0.5 2,-0.7 -0.891 36.8-120.8-127.9 153.4 16.4 26.5 17.2 21 26 A M E +BC 8 26A 69 -13,-2.8 -13,-2.2 -2,-0.3 2,-0.5 -0.905 40.8 178.5 -92.0 112.0 18.7 29.2 18.7 22 27 A Y E > - C 0 25A 39 3,-3.0 3,-1.6 -2,-0.7 -15,-0.1 -0.975 65.8 -13.3-122.7 119.9 16.2 31.3 20.7 23 28 A K T 3 S- 0 0 173 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.929 129.1 -55.4 55.3 41.3 17.4 34.3 22.7 24 29 A G T 3 S+ 0 0 62 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.595 119.6 110.0 70.8 8.7 21.0 33.1 22.2 25 30 A Q E < -C 22 0A 124 -3,-1.6 -3,-3.0 2,-0.0 2,-0.4 -0.961 67.8-127.6-117.4 130.2 20.2 29.7 23.7 26 31 A P E +C 21 0A 63 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.616 42.0 162.0 -74.6 125.2 20.0 26.4 21.8 27 32 A M E -C 20 0A 41 -7,-3.0 -7,-2.9 -2,-0.4 2,-0.5 -0.999 40.5-117.7-148.1 158.4 16.8 24.5 22.4 28 33 A T E -C 19 0A 47 -2,-0.3 55,-2.7 53,-0.3 2,-0.4 -0.778 29.2-158.8 -87.2 127.4 14.5 21.8 21.1 29 34 A F E -Cd 18 83A 0 -11,-3.0 -11,-2.1 -2,-0.5 2,-0.5 -0.921 6.1-154.9-110.5 135.5 11.0 22.9 20.1 30 35 A R E -Cd 17 84A 37 53,-3.0 55,-1.4 -2,-0.4 2,-0.4 -0.922 29.7-116.4-102.4 125.6 8.0 20.6 19.8 31 36 A L E > - d 0 85A 1 -15,-2.8 3,-1.0 -2,-0.5 55,-0.2 -0.493 34.5-118.5 -66.7 121.5 5.3 21.9 17.4 32 37 A L T 3 S+ 0 0 13 53,-2.4 55,-0.1 -2,-0.4 -1,-0.1 -0.247 81.4 1.8 -60.2 142.5 2.1 22.7 19.3 33 38 A L T 3 S+ 0 0 15 80,-0.1 74,-2.4 1,-0.1 2,-0.4 0.420 101.8 102.4 66.5 6.6 -1.1 20.8 18.5 34 39 A V E < -H 106 0B 0 -3,-1.0 2,-0.5 72,-0.3 72,-0.2 -0.930 50.3-158.7-124.1 144.6 0.0 18.4 15.9 35 40 A D E -H 105 0B 74 70,-3.0 70,-2.5 -2,-0.4 3,-0.0 -0.982 20.3-172.9-113.8 115.4 0.9 14.7 15.9 36 41 A T - 0 0 9 -2,-0.5 68,-0.2 68,-0.2 -20,-0.1 -0.798 34.5 -97.4-100.9 155.5 3.1 13.7 13.0 37 42 A P - 0 0 14 0, 0.0 -22,-0.4 0, 0.0 2,-0.3 -0.367 53.9-134.1 -58.3 144.1 4.2 10.2 11.9 38 43 A E - 0 0 46 6,-0.2 9,-3.3 1,-0.1 12,-0.3 -0.702 37.7-173.1-113.5 155.4 7.6 9.7 13.4 39 44 A T S S+ 0 0 40 -2,-0.3 -1,-0.1 7,-0.3 -25,-0.0 0.391 97.3 49.0-106.2 -19.0 11.0 8.4 12.5 40 45 A K S S+ 0 0 124 10,-0.1 6,-0.1 2,-0.0 5,-0.1 -0.369 80.7 135.3-115.2 49.9 12.3 8.7 16.2 41 46 A H - 0 0 53 4,-1.9 -3,-0.0 3,-0.1 0, 0.0 -0.872 57.1-114.5 -99.9 124.1 9.4 6.9 17.9 42 47 A P S S- 0 0 92 0, 0.0 2,-2.4 0, 0.0 -2,-0.0 -0.206 92.6 -7.0 -52.9 141.8 10.0 4.2 20.7 43 48 A K S S+ 0 0 214 1,-0.1 2,-1.7 2,-0.0 -2,-0.1 -0.426 137.8 54.4 66.9 -69.8 8.8 0.7 19.8 44 49 A K S S+ 0 0 136 -2,-2.4 3,-0.2 1,-0.2 -6,-0.2 -0.576 79.9 175.9 -88.3 76.0 7.3 1.8 16.6 45 50 A G + 0 0 32 -2,-1.7 -4,-1.9 1,-0.2 2,-0.6 0.927 60.8 19.3 -46.7 -78.0 10.5 3.5 15.2 46 51 A V S S- 0 0 101 -6,-0.1 -7,-0.3 -9,-0.0 -1,-0.2 -0.911 80.7-162.9-103.9 110.2 9.9 4.7 11.6 47 52 A E > - 0 0 40 -9,-3.3 3,-1.9 -2,-0.6 2,-0.2 -0.466 33.9 -77.1 -92.3 165.1 6.1 5.0 10.8 48 53 A K T 3 S+ 0 0 182 1,-0.3 -1,-0.1 2,-0.1 -10,-0.1 -0.439 122.5 10.7 -63.0 123.0 4.2 5.3 7.6 49 54 A Y T 3> S+ 0 0 60 -2,-0.2 4,-2.8 -12,-0.1 5,-0.3 0.280 95.7 116.2 78.4 4.0 4.6 9.0 6.3 50 55 A G H <> S+ 0 0 0 -3,-1.9 4,-2.6 -12,-0.3 -11,-0.2 0.957 76.4 46.3 -63.3 -51.9 7.3 9.6 8.9 51 56 A P H > S+ 0 0 63 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.917 114.5 48.9 -49.7 -47.1 10.0 10.2 6.3 52 57 A E H > S+ 0 0 98 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.897 112.2 45.6 -68.9 -42.6 7.7 12.5 4.3 53 58 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 5,-0.3 0.907 114.1 50.7 -70.1 -37.1 6.6 14.6 7.3 54 59 A S H X S+ 0 0 25 -4,-2.6 4,-2.5 -5,-0.3 -2,-0.2 0.961 112.0 47.2 -60.5 -44.7 10.2 14.9 8.4 55 60 A A H X S+ 0 0 54 -4,-2.8 4,-2.9 -5,-0.2 5,-0.2 0.904 110.3 51.9 -64.5 -40.0 11.3 16.0 5.0 56 61 A F H X S+ 0 0 33 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.962 111.8 44.8 -63.1 -51.5 8.5 18.6 4.7 57 62 A T H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.4 0.968 115.3 50.1 -58.8 -44.3 9.3 20.3 8.0 58 63 A K H X S+ 0 0 96 -4,-2.5 4,-2.7 -5,-0.3 5,-0.2 0.941 111.9 46.0 -58.6 -48.1 13.0 20.2 7.1 59 64 A K H X S+ 0 0 114 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.913 112.6 51.8 -65.0 -38.1 12.5 21.8 3.7 60 65 A M H < S+ 0 0 15 -4,-2.6 4,-0.2 -5,-0.2 -1,-0.2 0.933 117.2 35.6 -68.1 -42.9 10.2 24.4 5.1 61 66 A V H >< S+ 0 0 3 -4,-2.5 3,-0.8 -5,-0.2 -2,-0.2 0.883 115.7 55.2 -83.0 -28.5 12.5 25.7 7.8 62 67 A E H 3< S+ 0 0 92 -4,-2.7 -2,-0.2 -5,-0.4 -1,-0.2 0.883 111.6 42.5 -68.9 -36.7 15.7 25.2 5.8 63 68 A N T 3< S+ 0 0 128 -4,-1.9 -1,-0.2 -5,-0.2 2,-0.2 0.382 91.2 116.1 -87.0 1.6 14.6 27.3 2.9 64 69 A A < - 0 0 24 -3,-0.8 3,-0.2 -4,-0.2 -3,-0.0 -0.455 54.3-155.8 -75.6 140.6 13.1 30.1 5.1 65 70 A K S S+ 0 0 169 1,-0.3 2,-0.4 -2,-0.2 -1,-0.2 0.867 86.5 18.6 -78.4 -34.5 14.4 33.6 5.1 66 71 A K - 0 0 138 -58,-0.0 24,-2.7 2,-0.0 2,-0.4 -0.984 65.6-162.7-138.0 126.2 13.0 34.3 8.6 67 72 A I E -AE 7 89A 15 -60,-0.7 -60,-2.0 -2,-0.4 2,-0.3 -0.911 14.1-177.6-104.7 138.5 11.9 31.8 11.3 68 73 A E E -AE 6 88A 54 20,-2.1 20,-2.8 -2,-0.4 2,-0.4 -0.964 14.5-146.4-130.9 147.4 9.7 33.1 14.2 69 74 A V E -AE 5 87A 0 -64,-2.9 -64,-2.7 -2,-0.3 2,-0.5 -0.925 7.1-165.3-115.2 140.5 8.3 31.3 17.2 70 75 A E E - E 0 86A 12 16,-2.5 16,-2.7 -2,-0.4 -66,-0.2 -0.940 9.0-154.0-124.1 107.4 5.0 32.0 18.8 71 76 A F E - E 0 85A 17 -2,-0.5 -68,-0.3 -68,-0.5 14,-0.2 -0.459 16.7-128.8 -71.2 155.3 4.3 30.7 22.3 72 77 A D - 0 0 0 12,-0.6 41,-0.1 3,-0.3 -1,-0.1 -0.094 34.5 -90.3 -88.9-164.0 0.7 30.1 23.3 73 78 A K S S+ 0 0 117 39,-0.5 40,-0.1 -71,-0.0 3,-0.1 0.492 103.5 53.3 -95.6 1.4 -0.8 31.5 26.6 74 79 A G S S- 0 0 16 1,-0.3 37,-0.0 38,-0.1 -2,-0.0 -0.013 107.7 -14.4-105.8-142.1 -0.0 28.6 28.9 75 80 A Q - 0 0 106 1,-0.1 -1,-0.3 -2,-0.1 -3,-0.3 -0.264 49.3-155.3 -65.0 144.1 3.2 26.8 29.7 76 81 A R S S+ 0 0 112 -3,-0.1 8,-2.3 -5,-0.1 2,-0.3 0.524 74.4 41.6 -99.4 -11.0 6.1 27.4 27.3 77 82 A T B S-F 83 0A 76 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.978 73.3-137.2-134.0 146.0 8.1 24.2 27.9 78 83 A D > - 0 0 31 4,-2.2 3,-2.1 -2,-0.3 4,-0.1 -0.411 43.5 -83.6 -87.2-174.3 6.9 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 0.721 128.2 57.0 -68.3 -14.9 8.2 17.9 30.8 80 85 A Y T 3 S- 0 0 163 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.297 120.9-106.1 -91.9 10.7 11.2 17.0 28.5 81 86 A G S < S+ 0 0 47 -3,-2.1 2,-0.3 1,-0.2 -53,-0.3 0.633 73.1 144.8 76.8 7.8 12.4 20.7 28.5 82 87 A R - 0 0 65 -55,-0.1 -4,-2.2 -4,-0.1 -53,-0.3 -0.636 54.5-115.4 -79.6 137.9 11.1 21.2 24.9 83 88 A G E -dF 29 77A 0 -55,-2.7 -53,-3.0 -2,-0.3 2,-0.7 -0.455 24.3-142.6 -65.0 138.0 9.7 24.7 23.9 84 89 A L E +d 30 0A 24 -8,-2.3 -12,-0.6 -55,-0.2 2,-0.3 -0.916 44.0 133.5-107.2 110.1 6.0 24.4 23.0 85 90 A A E -dE 31 71A 0 -55,-1.4 -53,-2.4 -2,-0.7 2,-0.5 -0.937 61.2-109.7-152.2 163.3 5.3 26.8 20.1 86 91 A Y E - E 0 70A 0 -16,-2.7 -16,-2.5 -2,-0.3 2,-0.5 -0.879 42.4-149.0 -89.9 130.7 3.7 27.6 16.8 87 92 A I E - E 0 69A 1 -2,-0.5 7,-2.9 -18,-0.2 8,-0.6 -0.921 9.2-160.7-109.7 130.4 6.7 27.9 14.3 88 93 A Y E -GE 93 68A 17 -20,-2.8 -20,-2.1 -2,-0.5 2,-0.6 -0.941 7.6-164.1-111.3 131.2 6.4 30.3 11.3 89 94 A A E > S-GE 92 67A 0 3,-2.7 3,-2.1 -2,-0.4 -22,-0.2 -0.963 84.0 -23.7-110.2 112.8 8.7 30.1 8.2 90 95 A D T 3 S- 0 0 61 -24,-2.7 -1,-0.2 -2,-0.6 -23,-0.1 0.928 128.7 -48.6 48.5 46.2 8.4 33.4 6.3 91 96 A G T 3 S+ 0 0 46 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.357 115.5 112.1 82.6 -8.2 5.0 34.1 7.8 92 97 A K E < S-G 89 0A 111 -3,-2.1 -3,-2.7 4,-0.0 2,-0.4 -0.859 70.5-122.7-101.3 131.1 3.5 30.6 7.1 93 98 A M E > -G 88 0A 16 -2,-0.5 4,-2.2 -5,-0.2 -5,-0.3 -0.548 13.4-156.6 -73.4 121.5 2.8 28.4 10.1 94 99 A V H > S+ 0 0 1 -7,-2.9 4,-2.4 -2,-0.4 5,-0.2 0.920 93.2 58.3 -62.3 -40.3 4.7 25.1 9.8 95 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.937 111.7 40.4 -57.6 -45.3 2.1 23.4 12.2 96 101 A E H > S+ 0 0 43 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.921 110.6 57.6 -69.6 -42.9 -0.8 24.3 9.9 97 102 A A H X S+ 0 0 16 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.914 107.2 49.0 -56.1 -40.3 1.2 23.5 6.7 98 103 A L H <>S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 6,-0.6 0.946 113.4 45.5 -65.9 -45.3 1.8 19.9 7.9 99 104 A V H ><5S+ 0 0 0 -4,-1.6 3,-1.9 -5,-0.2 5,-0.2 0.951 109.9 55.1 -62.8 -44.3 -1.9 19.4 8.8 100 105 A R H 3<5S+ 0 0 71 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.821 108.5 49.0 -61.3 -28.3 -3.1 20.9 5.4 101 106 A Q T 3<5S- 0 0 82 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.373 116.6-111.0 -89.4 0.5 -0.9 18.4 3.5 102 107 A G T < 5S+ 0 0 0 -3,-1.9 32,-2.9 -4,-0.2 -3,-0.2 0.850 88.3 116.6 71.1 28.3 -2.2 15.4 5.4 103 108 A L S + 0 0 70 -2,-2.1 3,-1.8 -5,-0.1 4,-0.3 0.281 30.8 122.3-139.0 14.1 -5.2 25.7 22.5 115 120 A T T 3 S+ 0 0 55 -3,-0.3 3,-0.3 1,-0.3 4,-0.3 0.859 83.6 35.7 -56.6 -41.7 -5.4 29.1 20.7 116 121 A H T 3> S+ 0 0 38 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.199 84.9 110.1 -98.5 21.5 -5.0 27.9 17.1 117 122 A E H <> S+ 0 0 33 -3,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.927 78.5 45.3 -63.6 -45.6 -7.0 24.6 17.6 118 123 A Q H > S+ 0 0 120 -4,-0.3 4,-2.1 -3,-0.3 -1,-0.2 0.915 112.3 52.7 -67.5 -39.7 -10.1 25.6 15.5 119 124 A H H > S+ 0 0 95 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.951 112.9 44.4 -55.9 -50.8 -7.9 26.9 12.7 120 125 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.913 109.7 55.1 -64.2 -38.4 -5.9 23.6 12.5 121 126 A R H X S+ 0 0 80 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.919 106.3 52.3 -62.0 -36.1 -9.0 21.5 12.7 122 127 A K H X S+ 0 0 154 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.948 110.2 48.1 -66.2 -42.4 -10.4 23.3 9.7 123 128 A S H X S+ 0 0 12 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.905 110.9 50.9 -63.8 -40.0 -7.2 22.6 7.8 124 129 A E H X S+ 0 0 22 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.893 106.3 54.3 -62.2 -40.8 -7.3 18.9 8.8 125 130 A A H X S+ 0 0 43 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.898 110.1 48.5 -63.2 -35.8 -11.0 18.6 7.6 126 131 A Q H X S+ 0 0 72 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.950 110.5 49.3 -68.5 -44.9 -9.8 19.9 4.2 127 132 A A H <>S+ 0 0 0 -4,-2.4 5,-2.2 2,-0.2 4,-0.4 0.929 113.5 47.6 -60.4 -38.0 -6.8 17.5 4.0 128 133 A K H ><5S+ 0 0 88 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.965 109.8 52.3 -67.8 -44.0 -9.2 14.6 4.9 129 134 A K H 3<5S+ 0 0 146 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.820 113.0 45.3 -59.0 -35.7 -11.8 15.8 2.3 130 135 A E T 3<5S- 0 0 83 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.439 108.9-128.2 -87.0 -2.8 -9.0 15.8 -0.3 131 136 A K T < 5 + 0 0 119 -3,-1.6 2,-0.4 -4,-0.4 -3,-0.2 0.884 42.9 177.3 55.0 45.3 -7.7 12.4 0.8 132 137 A L > < - 0 0 46 -5,-2.2 3,-2.7 3,-0.1 -1,-0.2 -0.629 45.8 -56.9 -85.9 134.1 -4.1 13.6 1.2 133 138 A N G > S+ 0 0 55 -2,-0.4 3,-2.3 1,-0.3 -30,-0.2 -0.110 134.9 30.4 43.8-103.5 -1.2 11.5 2.4 134 139 A I G 3 S+ 0 0 46 -32,-2.9 -1,-0.3 1,-0.3 -31,-0.1 0.816 129.5 45.4 -48.5 -33.6 -2.3 10.2 5.9 135 140 A W G < 0 0 52 -3,-2.7 -1,-0.3 -33,-0.2 -2,-0.2 0.294 360.0 360.0 -95.4 7.5 -5.8 10.3 4.7 136 141 A S < 0 0 103 -3,-2.3 -4,-0.1 -34,-0.2 -5,-0.1 -0.640 360.0 360.0 -81.1 360.0 -5.3 8.6 1.2