==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-MAY-00 1EYD . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.CHEN,Z.LU,J.SAKON,W.E.STITES . 136 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7917.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 92 67.6 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 . 10 7.4 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 . 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 0 230 0, 0.0 71,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 119.3 38.9 -2.0 -8.5 2 7 A L - 0 0 43 68,-0.1 2,-0.3 1,-0.0 70,-0.1 -0.339 360.0-165.0 -69.6 152.6 36.6 0.5 -6.8 3 8 A H - 0 0 106 68,-0.3 68,-0.5 69,-0.1 2,-0.3 -0.986 16.5-125.8-136.6 151.0 38.0 3.6 -5.3 4 9 A K E -A 70 0A 96 -2,-0.3 66,-0.2 66,-0.2 83,-0.1 -0.706 23.1-167.3 -90.1 142.3 36.6 6.3 -2.9 5 10 A E E -A 69 0A 27 64,-2.8 64,-3.0 -2,-0.3 -2,-0.0 -0.980 25.4-107.3-126.1 148.5 36.7 10.0 -3.8 6 11 A P E +A 68 0A 103 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.274 39.7 171.7 -72.0 156.2 36.1 12.9 -1.5 7 12 A A E -A 67 0A 13 60,-1.9 60,-0.7 15,-0.1 2,-0.4 -0.964 25.2-125.9-152.6 166.9 32.9 15.0 -1.7 8 13 A T E -B 21 0A 95 13,-1.8 13,-3.0 -2,-0.3 2,-0.1 -0.966 27.1-113.3-125.3 135.8 31.2 17.7 0.3 9 14 A L E +B 20 0A 44 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.288 35.5 166.6 -64.4 137.0 27.7 17.7 1.6 10 15 A I E - 0 0 76 9,-2.3 2,-0.3 1,-0.2 10,-0.2 0.720 67.3 -31.5-107.8 -58.0 25.3 20.2 0.1 11 16 A K E -B 19 0A 127 8,-1.8 8,-3.2 0, 0.0 2,-0.4 -0.960 49.0-124.8-160.4 137.4 22.0 18.9 1.4 12 17 A A E -B 18 0A 13 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.695 28.0-178.7 -78.5 139.3 20.3 15.6 2.3 13 18 A I - 0 0 39 4,-2.2 2,-0.3 1,-0.4 5,-0.2 0.812 55.6 -25.0-110.1 -36.5 17.2 15.3 0.3 14 19 A D S S- 0 0 4 3,-2.0 3,-0.5 40,-0.1 -1,-0.4 -0.892 78.6 -75.3-161.2-177.1 15.5 12.0 1.3 15 20 A G S S+ 0 0 0 22,-0.3 23,-0.1 -2,-0.3 83,-0.1 0.851 131.7 29.6 -58.3 -35.0 16.4 8.6 2.8 16 21 A D S S+ 0 0 5 20,-0.1 15,-2.8 1,-0.1 2,-0.4 0.352 115.2 64.0-114.4 4.3 17.9 7.5 -0.5 17 22 A T E + C 0 30A 9 -3,-0.5 -4,-2.2 13,-0.2 -3,-2.0 -0.996 48.8 171.9-138.0 131.6 19.1 10.8 -2.1 18 23 A V E -BC 12 29A 2 11,-1.9 11,-2.9 -2,-0.4 2,-0.5 -0.995 26.5-133.9-133.2 142.6 21.8 13.4 -1.1 19 24 A K E +BC 11 28A 82 -8,-3.2 -9,-2.3 -2,-0.3 -8,-1.8 -0.850 33.8 175.9 -94.5 129.4 23.1 16.4 -3.0 20 25 A L E -BC 9 27A 0 7,-2.9 7,-2.4 -2,-0.5 2,-0.8 -0.908 37.6-118.6-130.0 154.3 26.9 16.6 -2.9 21 26 A M E -BC 8 26A 63 -13,-3.0 -13,-1.8 -2,-0.3 2,-0.5 -0.861 41.3-179.1 -88.5 116.2 29.6 18.8 -4.3 22 27 A Y E > - C 0 25A 22 3,-3.0 3,-1.4 -2,-0.8 -15,-0.1 -0.968 65.1 -15.6-124.1 120.4 31.6 16.4 -6.4 23 28 A K T 3 S- 0 0 165 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.872 131.4 -51.4 53.4 40.4 34.7 17.5 -8.3 24 29 A G T 3 S+ 0 0 68 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.513 119.5 103.5 75.6 16.0 33.6 21.0 -7.9 25 30 A Q E < S-C 22 0A 137 -3,-1.4 -3,-3.0 -5,-0.0 -1,-0.2 -0.987 73.4-117.5-129.0 135.6 30.0 20.5 -9.1 26 31 A P E +C 21 0A 79 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.479 44.5 171.2 -65.5 134.3 26.7 20.2 -7.4 27 32 A M E -C 20 0A 45 -7,-2.4 -7,-2.9 -2,-0.2 2,-0.4 -0.988 33.6-128.9-145.6 142.4 25.3 16.7 -8.1 28 33 A T E -C 19 0A 37 -2,-0.3 55,-2.6 -9,-0.3 2,-0.4 -0.805 27.5-157.5 -84.5 128.8 22.3 14.6 -6.8 29 34 A F E -Cd 18 83A 0 -11,-2.9 -11,-1.9 -2,-0.4 2,-0.5 -0.931 8.0-156.2-113.0 133.3 23.4 11.1 -5.7 30 35 A R E -Cd 17 84A 34 53,-3.2 55,-1.8 -2,-0.4 2,-0.5 -0.900 30.8-116.4 -99.6 130.4 21.0 8.2 -5.5 31 36 A L E > - d 0 85A 1 -15,-2.8 3,-0.9 -2,-0.5 55,-0.2 -0.617 34.3-119.7 -73.1 124.3 22.3 5.5 -3.0 32 37 A L T 3 S+ 0 0 14 53,-2.4 55,-0.1 -2,-0.5 3,-0.1 -0.358 81.2 4.4 -61.5 136.9 23.1 2.3 -4.9 33 38 A L T 3 S+ 0 0 12 75,-0.2 74,-2.5 1,-0.1 2,-0.4 0.390 103.7 99.2 82.6 3.9 21.4 -1.0 -4.1 34 39 A V E < -H 106 0B 0 -3,-0.9 2,-0.5 72,-0.3 72,-0.2 -0.954 50.3-160.2-128.3 144.9 18.9 0.2 -1.5 35 40 A D E -H 105 0B 75 70,-2.8 70,-2.8 -2,-0.4 -3,-0.0 -0.979 16.6-173.3-113.6 120.5 15.2 1.2 -1.4 36 41 A T - 0 0 7 -2,-0.5 68,-0.2 68,-0.2 -20,-0.1 -0.771 38.0 -99.9-101.4 154.1 14.1 3.4 1.5 37 42 A P - 0 0 15 0, 0.0 -22,-0.3 0, 0.0 2,-0.2 -0.474 55.6-135.4 -60.4 142.1 10.5 4.3 2.3 38 43 A E - 0 0 41 1,-0.1 9,-2.3 -2,-0.1 3,-0.3 -0.682 28.5-154.6-110.3 164.7 10.4 7.8 0.9 39 44 A T S S+ 0 0 40 -2,-0.2 2,-0.2 11,-0.2 -1,-0.1 0.677 104.2 40.2 -94.9 -27.7 9.1 11.2 1.9 40 45 A K S S+ 0 0 137 6,-0.1 -1,-0.2 10,-0.1 6,-0.1 -0.531 80.2 169.9-119.3 60.6 8.8 12.3 -1.7 41 46 A H B > -I 45 0C 51 4,-1.7 4,-1.2 -3,-0.3 5,-0.0 -0.587 42.7-120.4 -72.8 135.8 7.5 9.1 -3.3 42 47 A P T 4 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.819 104.6 7.8 -41.6 -47.1 6.3 9.6 -6.9 43 48 A K T 4 S+ 0 0 187 2,-0.1 -2,-0.0 -3,-0.0 -3,-0.0 0.740 136.4 38.9-111.8 -30.9 2.7 8.5 -6.2 44 49 A K T 4 S- 0 0 145 1,-0.2 2,-1.0 0, 0.0 -4,-0.0 0.702 74.9-162.8-100.7 -23.7 2.4 8.1 -2.4 45 50 A G B < +I 41 0C 25 -4,-1.2 -4,-1.7 1,-0.1 2,-1.0 -0.627 69.9 29.8 79.4-105.9 4.4 11.0 -0.9 46 51 A V S S- 0 0 93 -2,-1.0 -7,-0.2 -6,-0.1 -1,-0.1 -0.708 74.4-176.0 -99.2 94.6 5.1 10.1 2.8 47 52 A E > - 0 0 60 -9,-2.3 3,-1.8 -2,-1.0 2,-0.2 -0.366 40.2 -75.5 -84.3 170.7 5.3 6.4 3.4 48 53 A K T 3 S+ 0 0 153 1,-0.3 -1,-0.1 2,-0.2 -10,-0.0 -0.445 119.7 11.8 -66.6 125.0 5.8 4.6 6.7 49 54 A Y T 3> S+ 0 0 43 -2,-0.2 4,-3.0 -3,-0.1 5,-0.3 0.304 96.6 114.6 83.7 -1.9 9.4 4.8 8.1 50 55 A G H <> S+ 0 0 0 -3,-1.8 4,-2.9 -12,-0.2 5,-0.2 0.953 75.2 45.3 -62.7 -52.4 10.1 7.5 5.4 51 56 A P H > S+ 0 0 66 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.922 115.8 50.1 -58.3 -37.2 10.7 10.4 7.9 52 57 A E H > S+ 0 0 94 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.928 111.6 44.9 -68.0 -44.6 12.8 8.0 10.0 53 58 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 5,-0.3 0.939 114.8 50.8 -63.3 -41.4 14.9 6.8 7.1 54 59 A S H X S+ 0 0 25 -4,-2.9 4,-2.2 -5,-0.3 -2,-0.2 0.926 110.7 47.0 -62.6 -41.4 15.3 10.4 5.9 55 60 A A H X S+ 0 0 36 -4,-2.6 4,-2.6 -5,-0.2 5,-0.3 0.880 110.0 54.9 -67.9 -34.8 16.4 11.6 9.4 56 61 A F H X S+ 0 0 56 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.938 111.4 42.8 -63.6 -47.8 18.8 8.8 9.7 57 62 A T H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.943 114.4 50.9 -63.6 -44.2 20.6 9.6 6.4 58 63 A K H X S+ 0 0 76 -4,-2.2 4,-3.0 -5,-0.3 5,-0.3 0.962 112.1 45.7 -59.4 -49.0 20.6 13.3 7.1 59 64 A K H X S+ 0 0 97 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.919 111.9 52.7 -62.0 -40.4 22.1 13.0 10.6 60 65 A M H < S+ 0 0 37 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.944 117.0 36.1 -66.8 -40.2 24.7 10.6 9.4 61 66 A V H >< S+ 0 0 4 -4,-2.7 3,-0.9 -5,-0.2 -2,-0.2 0.863 115.6 54.5 -82.3 -27.1 25.9 12.8 6.6 62 67 A E H 3< S+ 0 0 88 -4,-3.0 -2,-0.2 -5,-0.3 -1,-0.2 0.858 110.3 45.6 -72.3 -29.9 25.5 16.1 8.4 63 68 A N T 3< S+ 0 0 131 -4,-2.0 -1,-0.2 -5,-0.3 2,-0.2 0.381 90.9 113.0 -96.2 10.5 27.6 15.0 11.4 64 69 A A < - 0 0 26 -3,-0.9 3,-0.1 -4,-0.2 -3,-0.0 -0.505 54.3-156.4 -81.1 151.6 30.4 13.5 9.3 65 70 A K S S+ 0 0 184 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.792 86.7 23.7 -83.0 -43.1 33.9 14.8 9.1 66 71 A K - 0 0 143 -58,-0.0 24,-2.9 2,-0.0 2,-0.4 -0.999 64.7-165.1-131.3 131.6 34.6 13.3 5.8 67 72 A I E -AE 7 89A 15 -60,-0.7 -60,-1.9 -2,-0.4 2,-0.3 -0.947 13.5-176.3-109.2 137.5 32.2 12.2 3.0 68 73 A E E -AE 6 88A 54 20,-1.9 20,-2.9 -2,-0.4 2,-0.4 -0.966 12.9-149.1-130.6 147.1 33.4 9.8 0.3 69 74 A V E -AE 5 87A 0 -64,-3.0 -64,-2.8 -2,-0.3 2,-0.4 -0.929 6.9-165.5-117.2 145.4 31.6 8.5 -2.8 70 75 A E E -AE 4 86A 9 16,-2.3 16,-3.1 -2,-0.4 -66,-0.2 -0.967 7.8-154.5-130.7 108.8 32.4 5.2 -4.4 71 76 A F E - E 0 85A 17 -68,-0.5 -68,-0.3 -2,-0.4 14,-0.2 -0.494 17.1-128.5 -77.7 155.0 31.1 4.5 -7.9 72 77 A D - 0 0 5 12,-0.6 41,-0.1 3,-0.2 -1,-0.1 -0.214 32.6 -90.8 -90.2-170.3 30.4 0.8 -9.0 73 78 A K S S+ 0 0 123 39,-0.6 40,-0.2 -2,-0.1 3,-0.1 0.548 103.8 52.1 -80.8 -10.8 31.7 -0.9 -12.1 74 79 A G S S- 0 0 19 1,-0.3 2,-0.1 38,-0.1 37,-0.1 0.194 107.7 -15.7-106.0-146.0 28.7 -0.0 -14.4 75 80 A Q - 0 0 117 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.2 -0.424 50.0-156.3 -63.5 139.7 26.8 3.1 -15.3 76 81 A R S S+ 0 0 131 -3,-0.1 8,-2.5 -5,-0.1 2,-0.3 0.432 73.7 41.5 -97.8 -5.3 27.6 6.0 -12.9 77 82 A T B S-F 83 0A 75 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.966 72.3-138.5-136.1 152.8 24.3 8.0 -13.5 78 83 A D > - 0 0 35 4,-1.9 3,-2.0 -2,-0.3 -2,-0.1 -0.470 44.8 -83.2-100.3-172.6 20.7 7.0 -13.9 79 84 A K T 3 S+ 0 0 177 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.623 127.0 57.9 -70.7 -11.6 18.1 8.3 -16.3 80 85 A Y T 3 S- 0 0 158 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.368 119.4-105.4 -95.0 4.0 17.4 11.3 -14.0 81 86 A G S < S+ 0 0 49 -3,-2.0 2,-0.3 1,-0.3 -53,-0.3 0.570 73.7 142.7 87.9 2.3 20.9 12.5 -14.1 82 87 A R - 0 0 61 -55,-0.1 -4,-1.9 1,-0.1 -1,-0.3 -0.619 55.0-114.6 -83.9 138.6 21.7 11.3 -10.5 83 88 A G E -dF 29 77A 0 -55,-2.6 -53,-3.2 -2,-0.3 2,-0.7 -0.350 23.7-141.6 -61.6 141.3 25.0 9.8 -9.6 84 89 A L E +d 30 0A 23 -8,-2.5 -12,-0.6 -55,-0.2 2,-0.3 -0.923 45.3 132.3-109.5 109.2 24.8 6.1 -8.6 85 90 A A E -dE 31 71A 0 -55,-1.8 -53,-2.4 -2,-0.7 2,-0.5 -0.964 61.1-107.7-153.8 164.7 27.1 5.4 -5.7 86 91 A Y E - E 0 70A 0 -16,-3.1 -16,-2.3 -2,-0.3 2,-0.4 -0.852 40.8-151.0 -92.8 133.1 28.0 4.0 -2.4 87 92 A I E - E 0 69A 1 -2,-0.5 7,-2.9 -18,-0.2 8,-0.6 -0.944 7.6-160.2-111.7 132.0 28.3 6.9 0.0 88 93 A Y E -GE 93 68A 16 -20,-2.9 -20,-1.9 -2,-0.4 2,-0.5 -0.906 6.8-163.1-114.7 134.4 30.7 6.8 3.1 89 94 A A E > S-GE 92 67A 2 3,-2.8 3,-2.1 -2,-0.4 -22,-0.2 -0.983 83.5 -24.8-114.7 115.1 30.4 9.0 6.2 90 95 A D T 3 S- 0 0 54 -24,-2.9 -1,-0.2 -2,-0.5 -23,-0.1 0.909 129.5 -47.0 45.8 53.1 33.7 8.8 8.2 91 96 A G T 3 S+ 0 0 55 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.344 116.3 112.8 79.5 -14.6 34.5 5.4 6.7 92 97 A K E < -G 89 0A 123 -3,-2.1 -3,-2.8 4,-0.0 2,-0.4 -0.854 69.8-122.8 -99.2 126.8 31.0 3.9 7.4 93 98 A M E > -G 88 0A 18 -2,-0.5 4,-2.3 -5,-0.2 -5,-0.3 -0.491 13.2-156.4 -72.7 124.5 28.8 3.1 4.4 94 99 A V H > S+ 0 0 0 -7,-2.9 4,-2.4 -2,-0.4 5,-0.2 0.892 92.3 57.4 -62.7 -37.3 25.5 4.9 4.5 95 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.4 1,-0.2 -1,-0.2 0.933 110.8 41.5 -60.2 -44.9 23.8 2.4 2.3 96 101 A E H > S+ 0 0 42 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.892 110.0 57.7 -68.4 -43.4 24.7 -0.5 4.6 97 102 A A H X S+ 0 0 15 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.922 106.6 49.8 -56.8 -44.5 23.9 1.4 7.8 98 103 A L H <>S+ 0 0 0 -4,-2.4 5,-2.8 1,-0.2 6,-0.5 0.921 114.0 44.4 -58.4 -43.9 20.4 2.0 6.6 99 104 A V H ><5S+ 0 0 0 -4,-1.4 3,-1.5 -5,-0.2 -2,-0.2 0.897 109.4 56.1 -69.4 -38.1 19.9 -1.7 5.7 100 105 A R H 3<5S+ 0 0 72 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.838 108.5 48.9 -62.1 -33.1 21.4 -2.8 9.0 101 106 A Q T 3<5S- 0 0 80 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.283 116.1-111.2 -87.6 4.9 18.9 -0.7 10.9 102 107 A G T < 5S+ 0 0 0 -3,-1.5 32,-2.5 2,-0.2 -3,-0.2 0.851 87.3 117.5 65.8 33.0 15.9 -2.0 9.1 103 108 A L S - 0 0 170 -2,-0.5 3,-2.1 3,-0.4 -77,-0.0 -0.917 35.4-102.1-109.6 105.5 21.2 -4.5 -12.0 111 116 A K T 3 S+ 0 0 174 -2,-0.6 0, 0.0 1,-0.3 0, 0.0 -0.388 98.9 26.3 -67.3 150.5 24.6 -6.0 -13.0 112 117 A P T 3 S+ 0 0 59 0, 0.0 2,-1.8 0, 0.0 -39,-0.6 -0.910 109.7 72.1 -95.4 23.2 27.3 -5.0 -13.1 113 118 A N S < S+ 0 0 8 -3,-2.1 -3,-0.4 1,-0.2 -80,-0.1 -0.565 74.8 97.1 -87.1 73.4 26.5 -2.4 -10.4 114 119 A N > + 0 0 37 -2,-1.8 3,-1.8 -5,-0.1 4,-0.4 0.139 31.9 127.0-144.2 20.6 26.3 -5.1 -7.8 115 120 A T T 3 S+ 0 0 57 -3,-0.3 3,-0.3 1,-0.3 4,-0.2 0.905 85.1 32.9 -55.3 -48.4 29.7 -5.1 -6.1 116 121 A H T 3> S+ 0 0 35 1,-0.2 4,-2.1 2,-0.1 -1,-0.3 0.157 87.2 112.8 -93.9 20.7 28.4 -4.8 -2.5 117 122 A E H <> S+ 0 0 43 -3,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.938 76.8 43.3 -62.7 -48.7 25.3 -6.8 -3.0 118 123 A Q H > S+ 0 0 141 -4,-0.4 4,-2.3 -3,-0.3 -1,-0.2 0.920 112.4 54.7 -65.6 -39.9 26.0 -9.8 -0.9 119 124 A H H > S+ 0 0 96 -4,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.910 111.4 44.6 -56.7 -44.4 27.4 -7.6 1.9 120 125 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.868 110.7 54.5 -68.5 -37.4 24.1 -5.6 2.0 121 126 A R H X S+ 0 0 99 -4,-2.3 4,-2.0 -5,-0.3 -2,-0.2 0.894 105.5 53.0 -67.0 -33.0 22.1 -8.8 1.8 122 127 A K H X S+ 0 0 144 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.918 110.5 47.2 -65.6 -41.5 23.8 -10.1 4.8 123 128 A S H X S+ 0 0 12 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.877 110.1 53.1 -68.6 -33.5 23.0 -7.0 6.8 124 129 A E H X S+ 0 0 23 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.908 105.7 53.2 -66.1 -39.2 19.4 -7.1 5.6 125 130 A A H X S+ 0 0 47 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.902 109.2 50.2 -61.7 -39.2 19.1 -10.7 6.9 126 131 A Q H X S+ 0 0 73 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.903 109.7 49.5 -66.9 -42.4 20.3 -9.5 10.3 127 132 A A H <>S+ 0 0 0 -4,-2.4 5,-2.0 1,-0.2 4,-0.4 0.888 111.7 48.9 -64.2 -33.6 17.9 -6.7 10.5 128 133 A K H ><5S+ 0 0 88 -4,-2.1 3,-0.9 -5,-0.2 -2,-0.2 0.930 111.0 50.4 -72.2 -37.3 15.1 -8.9 9.6 129 134 A K H 3<5S+ 0 0 162 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.846 113.1 45.4 -63.5 -40.6 16.2 -11.5 12.2 130 135 A E T 3<5S- 0 0 83 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.429 108.6-131.7 -80.3 -3.1 16.3 -8.7 14.8 131 136 A K T < 5 + 0 0 146 -3,-0.9 2,-0.3 -4,-0.4 -3,-0.2 0.848 40.3 177.8 48.4 48.6 12.9 -7.5 13.6 132 137 A L > < - 0 0 48 -5,-2.0 3,-2.9 3,-0.1 -1,-0.2 -0.652 46.1 -53.3 -82.9 134.3 14.1 -3.8 13.3 133 138 A N G > S+ 0 0 51 -2,-0.3 3,-2.2 1,-0.3 -30,-0.2 -0.126 135.9 28.7 51.8-102.9 11.8 -1.0 12.0 134 139 A I G 3 S+ 0 0 40 -32,-2.5 -1,-0.3 1,-0.3 -31,-0.1 0.843 127.5 48.7 -56.6 -31.2 10.6 -2.1 8.6 135 140 A W G < 0 0 63 -3,-2.9 -1,-0.3 -33,-0.2 -2,-0.3 0.403 360.0 360.0 -94.3 6.1 10.8 -5.6 9.8 136 141 A S < 0 0 105 -3,-2.2 -4,-0.1 -34,-0.2 -5,-0.1 -0.343 360.0 360.0 -87.5 360.0 9.0 -5.0 13.1