==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-NOV-07 3BDC . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR V.KHANGULOV,J.L.SCHLESSMAN,B.E.GARCIA-MORENO . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7199.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 67.4 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 . 34 26.4 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 . 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 0 1 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 7 A L 0 0 77 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 158.1 2.3 -1.0 -7.9 2 8 A H - 0 0 114 62,-0.4 62,-0.5 63,-0.1 2,-0.4 -0.981 360.0-124.8-132.0 146.8 3.0 -4.5 -6.5 3 9 A K E -A 63 0A 88 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.715 26.0-167.4 -86.5 134.8 4.1 -5.8 -3.1 4 10 A E E -A 62 0A 23 58,-3.1 58,-2.8 -2,-0.4 2,-0.0 -0.887 25.2-101.0-122.1 151.8 7.2 -8.1 -3.0 5 11 A P E +A 61 0A 105 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.287 44.8 156.3 -76.4 155.2 8.5 -10.3 -0.2 6 12 A A E -A 60 0A 13 54,-1.5 54,-0.8 15,-0.1 2,-0.4 -0.957 28.6-133.6-162.2 165.7 11.4 -9.3 2.1 7 13 A T E -B 20 0A 95 13,-1.5 13,-3.0 -2,-0.3 2,-0.2 -0.969 27.7-106.6-127.4 145.1 12.7 -10.2 5.6 8 14 A L E +B 19 0A 47 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.507 35.2 168.2 -68.3 131.8 13.9 -7.9 8.4 9 15 A I E - 0 0 78 9,-2.7 2,-0.3 1,-0.3 10,-0.2 0.739 70.0 -20.2 -99.7 -59.4 17.7 -7.9 9.0 10 16 A K E -B 18 0A 131 8,-1.7 8,-3.0 0, 0.0 -1,-0.3 -0.979 55.3-122.1-156.2 135.0 17.9 -4.9 11.3 11 17 A A E +B 17 0A 19 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.498 33.2 174.8 -61.6 140.4 15.9 -1.8 12.3 12 18 A I E - 0 0 84 4,-1.1 2,-0.2 1,-0.5 5,-0.2 0.631 48.8 -42.4-116.1 -73.0 18.1 1.3 11.6 13 19 A D E > S-B 16 0A 23 3,-2.1 3,-0.5 33,-0.1 -1,-0.5 -0.725 76.3 -60.6-145.5-163.5 16.2 4.6 12.3 14 20 A G T 3 S+ 0 0 0 22,-0.3 77,-0.1 1,-0.2 23,-0.1 0.850 130.9 16.8 -55.0 -35.4 12.8 6.2 11.6 15 21 A D T 3 S+ 0 0 4 21,-0.1 15,-2.8 20,-0.1 2,-0.3 0.259 116.0 66.4-129.2 16.0 13.0 6.0 7.8 16 22 A T E < +BC 13 29A 12 -3,-0.5 -3,-2.1 13,-0.2 -4,-1.1 -0.996 51.7 170.7-137.7 139.1 15.7 3.5 7.0 17 23 A V E -BC 11 28A 1 11,-1.8 11,-3.2 -2,-0.3 2,-0.6 -0.989 32.0-123.1-149.2 149.3 15.7 -0.3 7.7 18 24 A K E +BC 10 27A 66 -8,-3.0 -9,-2.7 -2,-0.3 -8,-1.7 -0.876 39.4 170.7-102.3 118.8 17.9 -3.1 6.6 19 25 A L E -BC 8 26A 0 7,-2.5 7,-1.8 -2,-0.6 2,-0.7 -0.891 37.8-121.3-121.8 154.7 16.0 -5.9 4.8 20 26 A M E -BC 7 25A 85 -13,-3.0 -13,-1.5 -2,-0.3 2,-0.4 -0.890 38.1-179.3 -88.7 119.5 16.9 -9.0 2.8 21 27 A Y E > - C 0 24A 17 3,-2.9 3,-2.2 -2,-0.7 -15,-0.1 -0.981 67.1 -11.7-128.6 131.4 15.4 -8.5 -0.6 22 28 A K T 3 S- 0 0 152 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.871 131.7 -56.2 43.8 38.8 15.6 -11.1 -3.4 23 29 A G T 3 S+ 0 0 49 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.460 117.6 107.8 81.9 2.1 18.2 -12.8 -1.1 24 30 A Q E < S-C 21 0A 131 -3,-2.2 -3,-2.9 2,-0.0 -1,-0.2 -0.919 71.5-118.5-117.0 134.0 20.5 -9.7 -0.8 25 31 A P E +C 20 0A 77 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.467 44.5 166.7 -63.4 140.0 21.0 -7.5 2.2 26 32 A M E -C 19 0A 38 -7,-1.8 -7,-2.5 -2,-0.1 2,-0.5 -0.969 36.8-126.7-156.9 137.4 20.0 -3.9 1.3 27 33 A T E -C 18 0A 33 -2,-0.3 49,-2.9 -9,-0.2 2,-0.4 -0.818 29.6-152.0 -83.3 130.3 19.3 -0.7 3.3 28 34 A F E -Cd 17 76A 0 -11,-3.2 -11,-1.8 -2,-0.5 2,-0.5 -0.909 6.6-155.7-106.2 134.7 15.9 0.7 2.4 29 35 A R E -Cd 16 77A 22 47,-3.6 49,-1.4 -2,-0.4 2,-0.3 -0.925 29.7-117.0-105.3 128.4 15.0 4.4 2.5 30 36 A L E > - d 0 78A 2 -15,-2.8 3,-0.9 -2,-0.5 49,-0.2 -0.471 30.2-119.0 -74.5 128.4 11.3 5.0 2.9 31 37 A L T 3 S+ 0 0 10 47,-2.4 49,-0.1 -2,-0.3 -1,-0.1 -0.326 83.2 3.9 -64.3 142.7 9.7 6.8 0.1 32 38 A L T 3 S+ 0 0 3 69,-0.5 68,-1.4 1,-0.1 2,-0.3 0.515 108.3 89.4 71.7 13.1 8.0 10.2 0.5 33 39 A V E < -H 99 0B 0 -3,-0.9 2,-0.4 66,-0.3 66,-0.2 -0.915 51.9-158.0-136.6 162.4 8.8 10.8 4.2 34 40 A D E -H 98 0B 51 64,-1.7 64,-2.1 -2,-0.3 3,-0.0 -0.929 8.6-168.3-145.4 118.3 11.4 12.3 6.5 35 41 A T - 0 0 1 -2,-0.4 62,-0.2 62,-0.2 8,-0.1 -0.704 37.0 -96.8 -92.4 149.7 11.8 11.4 10.1 36 42 A P - 0 0 16 0, 0.0 -22,-0.3 0, 0.0 -21,-0.1 -0.367 46.7-101.1 -54.8 148.8 14.0 13.5 12.4 37 43 A E > - 0 0 91 1,-0.1 3,-1.9 -24,-0.1 6,-0.3 -0.366 36.9-104.4 -67.3 155.5 17.5 12.1 12.8 38 50 A F T 3 S+ 0 0 129 1,-0.3 5,-0.1 5,-0.2 -1,-0.1 0.828 122.9 55.5 -53.2 -35.2 18.0 10.2 16.0 39 51 A N T 3 S+ 0 0 141 4,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.553 100.4 76.0 -76.0 -8.3 20.0 13.2 17.5 40 52 A E S X S- 0 0 101 -3,-1.9 3,-1.6 1,-0.1 2,-0.1 -0.542 101.2 -75.8 -98.6 169.2 17.0 15.6 16.7 41 53 A K T 3 S+ 0 0 169 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.433 120.4 12.9 -69.8 137.6 13.7 16.0 18.6 42 54 A Y T 3> S+ 0 0 46 -2,-0.1 4,-2.5 -4,-0.1 -1,-0.3 0.298 97.7 110.5 70.3 -5.4 11.3 13.1 17.9 43 55 A G H <> S+ 0 0 0 -3,-1.6 4,-2.6 -6,-0.3 -5,-0.2 0.940 78.3 46.0 -58.0 -52.3 14.2 11.2 16.3 44 56 A P H > S+ 0 0 55 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.875 114.0 50.5 -57.6 -37.6 14.3 8.6 19.1 45 57 A E H > S+ 0 0 93 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.883 110.6 48.3 -68.0 -40.4 10.5 8.3 18.9 46 58 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.930 111.8 49.0 -66.9 -46.5 10.5 7.8 15.2 47 59 A S H X S+ 0 0 17 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.936 113.0 48.3 -55.9 -47.3 13.3 5.1 15.4 48 60 A A H X S+ 0 0 54 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.896 111.4 50.4 -62.0 -39.7 11.3 3.3 18.2 49 61 A F H X S+ 0 0 60 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.963 115.0 40.1 -64.1 -54.9 8.1 3.4 16.2 50 62 A T H X S+ 0 0 3 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.907 114.2 56.1 -61.5 -42.6 9.6 2.0 13.0 51 63 A K H X S+ 0 0 88 -4,-2.8 4,-2.5 -5,-0.3 5,-0.2 0.913 109.9 44.2 -52.7 -51.5 11.6 -0.5 15.0 52 64 A K H X S+ 0 0 139 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.936 113.6 51.9 -62.1 -46.6 8.5 -1.9 16.8 53 65 A M H X S+ 0 0 32 -4,-2.4 4,-0.7 -5,-0.2 -2,-0.2 0.924 117.3 35.3 -56.9 -49.5 6.6 -2.0 13.5 54 66 A V H < S+ 0 0 3 -4,-2.8 3,-0.2 2,-0.2 -1,-0.2 0.882 119.8 49.6 -76.1 -34.4 9.2 -4.0 11.5 55 67 A E H < S+ 0 0 87 -4,-2.5 -2,-0.2 -5,-0.3 -3,-0.2 0.879 113.0 46.5 -73.5 -39.5 10.3 -6.2 14.4 56 68 A N H < S+ 0 0 107 -4,-3.0 -1,-0.2 -5,-0.2 2,-0.2 0.632 91.4 105.4 -73.9 -12.8 6.8 -7.1 15.4 57 69 A A < - 0 0 19 -4,-0.7 -49,-0.1 -5,-0.2 3,-0.1 -0.466 52.3-164.1 -73.9 134.2 5.7 -8.0 11.8 58 70 A K S S+ 0 0 184 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.789 86.1 35.3 -79.6 -24.6 5.4 -11.6 10.8 59 71 A K - 0 0 104 -52,-0.1 24,-3.0 2,-0.0 2,-0.4 -0.979 67.2-171.0-132.9 122.6 5.4 -10.4 7.1 60 72 A I E -AE 6 82A 10 -54,-0.8 -54,-1.5 -2,-0.4 2,-0.4 -0.909 11.0-172.2-106.8 137.4 7.5 -7.5 5.6 61 73 A E E -AE 5 81A 30 20,-2.2 20,-3.0 -2,-0.4 2,-0.4 -0.980 14.4-147.4-133.0 146.0 6.8 -6.4 2.0 62 74 A V E -AE 4 80A 0 -58,-2.8 -58,-3.1 -2,-0.4 2,-0.5 -0.921 11.0-171.5-111.2 131.9 8.6 -4.0 -0.3 63 75 A E E -AE 3 79A 13 16,-2.3 16,-2.8 -2,-0.4 -60,-0.2 -0.942 9.2-157.8-127.4 105.2 6.6 -2.0 -2.9 64 76 A F E - E 0 78A 10 -62,-0.5 -62,-0.4 -2,-0.5 14,-0.2 -0.479 12.3-133.6 -74.5 157.7 8.7 -0.0 -5.4 65 77 A D - 0 0 6 12,-0.5 41,-0.1 3,-0.2 -1,-0.1 -0.122 35.0 -86.7 -96.1-163.5 7.2 2.9 -7.2 66 78 A K S S+ 0 0 155 39,-0.4 40,-0.2 -2,-0.1 3,-0.1 0.623 104.0 51.9 -87.2 -15.8 7.4 3.7 -11.0 67 79 A G S S- 0 0 29 38,-0.4 39,-0.1 1,-0.3 2,-0.0 0.184 106.9 -15.0 -99.9-145.4 10.7 5.6 -11.0 68 80 A Q - 0 0 120 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.2 -0.308 46.3-159.7 -64.6 138.6 14.2 4.9 -9.7 69 81 A R S S+ 0 0 107 1,-0.1 8,-3.4 -3,-0.1 2,-0.4 0.583 76.0 46.0 -95.3 -11.7 14.5 2.0 -7.2 70 82 A T B S-F 76 0A 71 6,-0.3 6,-0.2 -42,-0.1 -1,-0.1 -0.981 74.4-140.9-132.6 141.0 17.8 3.0 -5.7 71 83 A D > - 0 0 20 4,-2.4 3,-1.8 -2,-0.4 -2,-0.1 -0.303 42.0 -86.7 -88.6-177.0 19.0 6.4 -4.6 72 84 A K T 3 S+ 0 0 171 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.661 127.6 56.7 -64.8 -18.5 22.5 7.9 -5.0 73 85 A Y T 3 S- 0 0 163 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.412 120.6-106.2 -91.2 2.5 23.7 6.3 -1.8 74 86 A G S < S+ 0 0 50 -3,-1.8 2,-0.3 1,-0.3 -47,-0.2 0.496 74.4 142.1 84.8 2.7 22.7 2.8 -3.0 75 87 A R - 0 0 69 -49,-0.1 -4,-2.4 1,-0.1 -1,-0.3 -0.568 55.2-115.5 -78.8 140.5 19.6 2.6 -0.7 76 88 A G E -dF 28 70A 0 -49,-2.9 -47,-3.6 -2,-0.3 2,-0.6 -0.482 23.1-143.1 -72.5 144.4 16.5 1.0 -2.0 77 89 A L E +d 29 0A 22 -8,-3.4 -12,-0.5 -49,-0.2 2,-0.3 -0.910 43.1 124.6-112.8 113.4 13.5 3.4 -2.4 78 90 A A E -dE 30 64A 0 -49,-1.4 -47,-2.4 -2,-0.6 2,-0.5 -0.944 63.0-100.5-154.5 167.6 10.2 1.8 -1.5 79 91 A Y E - E 0 63A 0 -16,-2.8 -16,-2.3 -2,-0.3 2,-0.4 -0.885 43.6-150.4 -90.7 130.6 7.0 1.7 0.4 80 92 A I E - E 0 62A 2 -2,-0.5 7,-3.1 -18,-0.2 8,-0.6 -0.877 9.5-161.9-110.0 133.9 7.5 -0.8 3.2 81 93 A Y E -GE 86 61A 15 -20,-3.0 -20,-2.2 -2,-0.4 2,-0.5 -0.945 9.0-162.2-120.1 146.5 4.6 -2.8 4.7 82 94 A A E > S-GE 85 60A 7 3,-2.9 3,-1.8 -2,-0.4 -22,-0.2 -0.969 83.4 -24.1-130.1 105.6 4.4 -4.7 8.0 83 95 A D T 3 S- 0 0 75 -24,-3.0 -1,-0.2 -2,-0.5 -23,-0.1 0.910 129.4 -49.1 51.7 44.7 1.5 -7.2 8.1 84 96 A G T 3 S+ 0 0 41 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.257 115.1 113.7 88.3 -14.7 -0.2 -5.2 5.4 85 97 A K E < -G 82 0A 151 -3,-1.8 -3,-2.9 4,-0.0 2,-0.4 -0.829 69.3-122.5 -96.5 130.1 0.1 -1.8 7.1 86 98 A M E > -G 81 0A 10 -2,-0.5 4,-2.4 -5,-0.2 -5,-0.3 -0.546 13.0-157.2 -77.0 120.7 2.4 0.8 5.3 87 99 A V H > S+ 0 0 1 -7,-3.1 4,-2.3 -2,-0.4 5,-0.2 0.890 93.1 56.7 -62.2 -40.3 5.2 2.0 7.6 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.944 111.9 40.5 -59.1 -51.6 5.5 5.2 5.5 89 101 A E H > S+ 0 0 66 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.908 112.7 56.5 -63.4 -41.6 1.9 6.1 6.0 90 102 A A H X S+ 0 0 23 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.893 106.1 48.6 -57.8 -44.9 1.9 5.0 9.7 91 103 A L H <>S+ 0 0 0 -4,-2.3 5,-2.7 2,-0.2 6,-0.9 0.946 113.8 47.2 -61.2 -47.0 4.8 7.3 10.6 92 104 A V H ><5S+ 0 0 0 -4,-1.7 3,-2.7 4,-0.2 -2,-0.2 0.961 109.1 53.5 -57.3 -49.5 3.1 10.3 8.9 93 105 A R H 3<5S+ 0 0 74 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.839 109.9 48.8 -58.5 -37.4 -0.2 9.6 10.6 94 106 A Q T 3<5S- 0 0 76 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.404 115.3-115.8 -80.2 1.0 1.5 9.6 14.0 95 107 A G T < 5S+ 0 0 0 -3,-2.7 32,-2.6 -4,-0.2 -3,-0.2 0.831 86.7 116.5 65.8 29.8 3.3 12.9 13.3 96 108 A L S - 0 0 153 -2,-1.2 3,-1.5 3,-0.4 -3,-0.0 -0.775 33.7-114.5-101.8 141.7 10.1 13.5 -6.6 104 116 A K T 3 S+ 0 0 200 -2,-0.4 3,-0.4 1,-0.2 -1,-0.1 0.806 108.9 43.2 -31.1 -57.0 8.3 13.4 -10.0 105 117 A G T 3 S+ 0 0 34 1,-0.2 -38,-0.4 2,-0.1 -39,-0.4 0.652 116.6 43.3 -79.5 -14.3 8.9 9.7 -10.9 106 118 A N S < S+ 0 0 12 -3,-1.5 -3,-0.4 -40,-0.2 -1,-0.2 -0.526 75.7 109.4-131.8 66.7 8.1 8.1 -7.5 107 119 A N > + 0 0 66 -3,-0.4 3,-1.8 -2,-0.2 4,-0.3 0.091 27.1 126.4-130.6 20.9 5.0 9.8 -6.1 108 120 A T T 3 S+ 0 0 53 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.873 82.0 37.2 -53.3 -47.4 2.2 7.2 -6.2 109 121 A H T 3> S+ 0 0 36 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.209 83.2 114.4 -96.1 19.4 1.1 7.4 -2.6 110 122 A E H <> S+ 0 0 38 -3,-1.8 4,-2.5 1,-0.2 5,-0.2 0.912 78.0 43.9 -51.5 -53.7 1.7 11.2 -2.2 111 123 A Q H > S+ 0 0 132 -3,-0.4 4,-2.0 -4,-0.3 -1,-0.2 0.910 111.6 55.1 -69.5 -30.3 -2.0 12.1 -1.7 112 124 A L H > S+ 0 0 73 -4,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.932 111.7 43.7 -58.6 -49.8 -2.5 9.2 0.7 113 125 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.872 110.2 54.0 -67.8 -38.9 0.4 10.4 2.9 114 126 A R H X S+ 0 0 94 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.873 106.9 53.8 -63.7 -30.9 -0.6 14.1 2.7 115 127 A K H X S+ 0 0 151 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.943 109.8 47.1 -65.0 -47.6 -4.1 13.0 4.0 116 128 A A H X S+ 0 0 7 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.885 111.7 50.7 -59.3 -43.2 -2.4 11.3 6.9 117 129 A E H X S+ 0 0 23 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.907 106.6 54.5 -63.4 -38.2 -0.2 14.3 7.6 118 130 A A H X S+ 0 0 39 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.921 110.9 46.5 -59.9 -40.1 -3.3 16.6 7.6 119 131 A Q H X S+ 0 0 64 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.903 112.6 47.8 -70.1 -44.3 -4.9 14.4 10.2 120 132 A A H <>S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 -1,-0.2 0.865 116.0 45.8 -56.7 -42.0 -1.7 14.2 12.4 121 133 A K H ><5S+ 0 0 92 -4,-2.6 3,-2.1 -5,-0.2 -2,-0.2 0.948 110.1 53.1 -68.7 -48.3 -1.4 18.0 12.1 122 134 A K H 3<5S+ 0 0 129 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.919 114.0 44.5 -47.4 -48.4 -5.1 18.5 12.8 123 135 A E T 3<5S- 0 0 86 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.376 109.1-125.2 -81.5 2.2 -4.6 16.4 16.0 124 136 A K T < 5 + 0 0 140 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.847 45.2 179.6 51.8 43.6 -1.3 18.2 17.0 125 137 A L > < - 0 0 39 -5,-2.6 3,-2.8 3,-0.1 -1,-0.2 -0.583 44.8 -58.9 -82.9 129.4 0.6 14.9 17.1 126 138 A N G > S+ 0 0 53 -2,-0.4 3,-1.9 1,-0.3 -30,-0.2 -0.104 135.0 28.5 50.0-100.7 4.3 14.7 18.0 127 139 A I G 3 S+ 0 0 39 -32,-2.6 -1,-0.3 1,-0.3 -31,-0.1 0.841 127.1 49.6 -57.9 -33.6 6.2 16.9 15.4 128 140 A W G < 0 0 54 -3,-2.8 -1,-0.3 -33,-0.1 -2,-0.2 0.279 360.0 360.0 -90.1 9.0 3.0 19.0 15.1 129 141 A S < 0 0 98 -3,-1.9 -4,-0.1 -4,-0.2 -5,-0.1 -0.220 360.0 360.0 -89.3 360.0 2.6 19.4 18.9