==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-AUG-09 3ITP . COMPND 2 MOLECULE: NUCLEASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR V.S.KHANGULOV,J.L.SCHLESSMAN,A.HEROUX,E.B.GARCIA-MORENO . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7244.0 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 . 30 23.3 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 . 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 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 76 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 154.5 2.2 -1.3 -7.9 2 8 A H - 0 0 114 62,-0.3 62,-0.5 63,-0.1 2,-0.4 -0.942 360.0-125.1-130.5 145.1 2.9 -4.7 -6.6 3 9 A K - 0 0 94 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.681 26.8-167.3 -85.8 133.7 3.9 -6.2 -3.3 4 10 A E E -A 62 0A 23 58,-2.5 58,-3.4 -2,-0.4 2,-0.0 -0.945 24.7-104.4-123.1 145.6 7.0 -8.4 -3.3 5 11 A P E +A 61 0A 106 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.281 43.9 158.9 -67.0 148.6 8.2 -10.7 -0.5 6 12 A A E -A 60 0A 13 54,-1.4 54,-0.7 15,-0.1 2,-0.3 -0.958 27.4-134.3-158.2 164.9 11.2 -9.8 1.7 7 13 A T E -D 20 0B 87 13,-1.7 13,-3.4 -2,-0.3 2,-0.3 -0.961 27.8-105.9-127.6 146.2 12.5 -10.8 5.1 8 14 A L E +D 19 0B 50 -2,-0.3 11,-0.3 11,-0.2 3,-0.1 -0.506 34.7 168.6 -68.7 127.3 13.8 -8.6 7.9 9 15 A I E - 0 0 77 9,-2.8 2,-0.3 -2,-0.3 10,-0.2 0.804 69.9 -22.5 -94.2 -52.9 17.6 -8.7 8.5 10 16 A K E -D 18 0B 123 8,-1.6 8,-3.2 0, 0.0 -1,-0.3 -0.993 53.8-120.2-161.5 135.5 17.8 -5.7 10.9 11 17 A A E +D 17 0B 15 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.542 32.4 175.0 -65.2 140.3 15.9 -2.6 12.0 12 18 A I - 0 0 69 4,-1.2 2,-0.2 1,-0.5 5,-0.2 0.638 50.6 -43.0-114.0 -69.2 18.1 0.5 11.5 13 19 A D S S- 0 0 25 3,-1.9 -1,-0.5 33,-0.1 3,-0.4 -0.729 76.0 -60.8-147.5-159.0 16.2 3.6 12.2 14 20 A G S S+ 0 0 0 22,-0.3 77,-0.1 1,-0.2 23,-0.1 0.837 130.5 19.3 -63.9 -33.1 12.8 5.3 11.8 15 21 A D S S+ 0 0 4 21,-0.1 15,-2.5 20,-0.1 2,-0.3 0.281 115.7 65.1-125.0 12.9 12.9 5.3 8.0 16 22 A T E + E 0 29B 11 -3,-0.4 -3,-1.9 13,-0.2 -4,-1.2 -0.992 51.8 174.1-132.9 144.5 15.5 2.7 7.0 17 23 A V E -DE 11 28B 2 11,-1.9 11,-3.4 -2,-0.3 2,-0.5 -0.992 29.7-125.5-146.3 145.1 15.5 -1.0 7.5 18 24 A K E +DE 10 27B 64 -8,-3.2 -9,-2.8 -2,-0.3 -8,-1.6 -0.830 40.0 169.3 -96.8 121.8 17.8 -3.8 6.3 19 25 A L E -DE 8 26B 0 7,-2.8 7,-2.6 -2,-0.5 2,-0.7 -0.953 38.9-120.5-128.0 156.3 15.9 -6.5 4.4 20 26 A M E +DE 7 25B 74 -13,-3.4 -13,-1.7 -2,-0.4 2,-0.4 -0.883 38.0 178.4 -96.4 119.7 16.7 -9.5 2.4 21 27 A Y E > - E 0 24B 15 3,-2.9 3,-1.8 -2,-0.7 -15,-0.1 -0.991 67.5 -9.4-130.2 130.3 15.1 -8.9 -1.0 22 28 A K T 3 S- 0 0 153 -17,-0.4 -1,-0.2 -2,-0.4 -16,-0.1 0.874 131.1 -58.6 41.7 38.9 15.4 -11.3 -4.0 23 29 A G T 3 S+ 0 0 50 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.1 0.502 118.1 106.4 78.9 9.1 18.0 -13.1 -1.7 24 30 A Q E < S-E 21 0B 124 -3,-1.8 -3,-2.9 -5,-0.0 2,-0.3 -0.923 73.6-114.8-121.2 140.4 20.3 -10.0 -1.3 25 31 A P E +E 20 0B 75 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.592 43.9 172.2 -73.6 133.9 20.8 -7.8 1.7 26 32 A M E -E 19 0B 44 -7,-2.6 -7,-2.8 -2,-0.3 2,-0.6 -0.995 35.4-130.2-147.0 138.9 19.6 -4.3 1.0 27 33 A T E -E 18 0B 33 -2,-0.4 49,-2.6 47,-0.3 2,-0.4 -0.795 29.7-154.5 -87.6 120.1 19.1 -1.2 3.0 28 34 A K E -Ef 17 76B 0 -11,-3.4 -11,-1.9 -2,-0.6 2,-0.5 -0.861 4.7-156.8 -99.9 130.4 15.6 0.1 2.2 29 35 A R E -Ef 16 77B 21 47,-4.0 49,-1.7 -2,-0.4 2,-0.3 -0.949 28.4-114.9-103.4 129.1 14.8 3.8 2.6 30 36 A L E > - f 0 78B 6 -15,-2.5 3,-0.9 -2,-0.5 49,-0.2 -0.469 30.6-119.9 -69.5 125.6 11.1 4.5 3.0 31 37 A L T 3 S+ 0 0 10 47,-2.2 49,-0.1 -2,-0.3 -1,-0.1 -0.315 84.0 5.9 -59.9 142.0 9.5 6.5 0.2 32 38 A L T 3 S+ 0 0 2 69,-0.5 68,-1.8 1,-0.1 2,-0.3 0.446 107.4 91.3 68.4 13.5 7.9 9.8 0.9 33 39 A V E < -H 99 0C 0 -3,-0.9 2,-0.4 66,-0.3 66,-0.2 -0.864 50.7-158.3-138.3 163.3 8.8 10.3 4.5 34 40 A D E -H 98 0C 52 64,-1.7 64,-2.0 -2,-0.3 3,-0.1 -0.918 9.4-168.9-141.1 114.3 11.4 11.7 6.8 35 41 A T - 0 0 1 -2,-0.4 62,-0.2 62,-0.2 8,-0.1 -0.700 36.4 -98.1 -91.7 153.6 11.9 10.6 10.4 36 42 A P - 0 0 15 0, 0.0 -22,-0.3 0, 0.0 -21,-0.1 -0.331 47.3 -98.5 -64.4 151.2 14.1 12.6 12.8 37 43 A E > - 0 0 88 1,-0.1 3,-2.3 -24,-0.1 6,-0.2 -0.352 37.0-104.7 -65.9 156.0 17.7 11.3 13.2 38 50 A F T 3 S+ 0 0 137 1,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.863 123.1 56.2 -52.7 -33.7 18.2 9.1 16.3 39 51 A N T 3 S+ 0 0 137 4,-0.2 -1,-0.3 3,-0.1 2,-0.2 0.410 99.9 74.7 -81.0 0.3 20.1 12.1 17.8 40 52 A E S X S- 0 0 100 -3,-2.3 3,-2.0 1,-0.1 2,-0.0 -0.626 100.0 -69.5-108.7 170.7 17.0 14.5 17.4 41 53 A K T 3 S+ 0 0 164 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.352 121.9 8.9 -63.3 138.0 13.7 14.9 19.2 42 54 A Y T 3> S+ 0 0 47 -4,-0.1 4,-2.4 -7,-0.1 -1,-0.3 0.459 98.1 114.0 67.7 1.5 11.4 11.9 18.5 43 55 A G H <> S+ 0 0 0 -3,-2.0 4,-2.7 2,-0.2 5,-0.2 0.954 77.4 44.1 -64.8 -49.6 14.3 10.1 16.7 44 56 A P H > S+ 0 0 49 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.890 114.5 51.0 -62.9 -35.4 14.5 7.4 19.3 45 57 A E H > S+ 0 0 95 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.917 111.1 48.3 -67.6 -41.0 10.6 7.1 19.2 46 58 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.948 112.7 47.4 -63.9 -48.4 10.6 6.9 15.4 47 59 A S H X S+ 0 0 17 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.923 114.1 48.9 -57.3 -42.8 13.3 4.2 15.4 48 60 A A H X S+ 0 0 58 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.885 110.1 50.8 -65.1 -38.2 11.4 2.3 18.1 49 61 A F H X S+ 0 0 59 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.951 114.0 42.5 -66.6 -50.6 8.2 2.5 16.3 50 62 A T H X S+ 0 0 4 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.918 112.6 54.3 -59.5 -47.0 9.6 1.2 13.0 51 63 A K H X S+ 0 0 100 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.926 111.2 45.9 -53.8 -45.9 11.6 -1.5 14.8 52 64 A K H X S+ 0 0 135 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.952 111.8 51.7 -65.7 -42.2 8.5 -2.8 16.6 53 65 A M H X S+ 0 0 30 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.893 117.7 35.3 -63.4 -46.9 6.5 -2.8 13.5 54 66 A V H < S+ 0 0 3 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.849 117.1 52.5 -77.4 -34.5 9.0 -4.8 11.3 55 67 A E H < S+ 0 0 99 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.791 112.0 46.0 -73.0 -27.7 10.2 -7.1 14.2 56 68 A N H < S+ 0 0 108 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.613 90.8 107.7 -87.0 -16.5 6.6 -8.2 15.1 57 69 A A < - 0 0 19 -4,-0.5 3,-0.1 -5,-0.2 -3,-0.0 -0.413 52.5-163.5 -69.5 137.7 5.6 -8.7 11.5 58 70 A K S S+ 0 0 181 1,-0.3 2,-0.4 -2,-0.2 -1,-0.2 0.771 85.3 30.8 -85.3 -23.9 5.0 -12.3 10.3 59 71 A K - 0 0 100 -52,-0.0 24,-2.9 2,-0.0 2,-0.4 -0.984 67.6-170.1-138.1 121.7 5.1 -11.1 6.7 60 72 A I E -AB 6 82A 13 -54,-0.7 -54,-1.4 -2,-0.4 2,-0.3 -0.929 10.0-170.4-109.4 138.0 7.1 -8.1 5.3 61 73 A E E -AB 5 81A 26 20,-2.1 20,-2.6 -2,-0.4 2,-0.5 -0.965 13.2-146.6-126.9 151.2 6.5 -6.9 1.8 62 74 A V E -AB 4 80A 0 -58,-3.4 -58,-2.5 -2,-0.3 2,-0.5 -0.944 11.8-171.1-113.8 134.8 8.3 -4.4 -0.4 63 75 A E E - B 0 79A 10 16,-2.7 16,-3.0 -2,-0.5 -60,-0.2 -0.948 7.9-156.8-130.4 109.3 6.5 -2.3 -2.9 64 76 A F - 0 0 12 -62,-0.5 -62,-0.3 -2,-0.5 14,-0.1 -0.488 13.0-135.3 -77.1 154.3 8.4 -0.1 -5.5 65 77 A D - 0 0 6 12,-0.4 41,-0.1 3,-0.3 -1,-0.1 -0.083 34.8 -88.3 -92.0-162.2 6.9 2.9 -7.0 66 78 A K S S+ 0 0 166 39,-0.6 40,-0.2 -2,-0.1 3,-0.1 0.657 104.0 53.7 -86.9 -19.2 7.0 3.8 -10.8 67 79 A G S S- 0 0 30 38,-0.6 38,-0.1 1,-0.3 39,-0.1 0.237 105.6 -14.5 -97.1-144.0 10.3 5.7 -10.7 68 80 A Q - 0 0 123 1,-0.1 -3,-0.3 -4,-0.1 -1,-0.3 -0.278 45.6-164.3 -67.3 143.0 13.8 5.1 -9.4 69 81 A R S S+ 0 0 112 1,-0.1 8,-2.4 -3,-0.1 2,-0.3 0.459 73.0 43.7-104.8 -14.9 14.2 2.1 -7.1 70 82 A T B S-G 76 0B 78 6,-0.3 6,-0.2 -42,-0.1 2,-0.2 -0.968 73.5-141.9-129.6 145.8 17.6 2.9 -5.7 71 83 A D > - 0 0 23 4,-2.1 3,-2.2 -2,-0.3 -2,-0.0 -0.475 42.2 -84.9 -97.9-178.5 19.0 6.2 -4.4 72 84 A K T 3 S+ 0 0 177 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.570 128.5 54.6 -65.1 -6.9 22.4 7.7 -4.8 73 85 A Y T 3 S- 0 0 164 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.376 119.3-106.7-104.4 -0.2 23.6 5.8 -1.7 74 86 A G S < S+ 0 0 52 -3,-2.2 2,-0.3 1,-0.3 -47,-0.3 0.548 73.1 142.9 84.7 6.6 22.5 2.4 -3.1 75 87 A R - 0 0 70 -49,-0.1 -4,-2.1 1,-0.1 -1,-0.3 -0.638 55.2-114.9 -77.4 139.2 19.5 2.2 -0.7 76 88 A G E -fG 28 70B 0 -49,-2.6 -47,-4.0 -2,-0.3 2,-0.6 -0.442 22.7-142.2 -69.1 140.0 16.3 0.7 -2.1 77 89 A L E +f 29 0B 21 -8,-2.4 -12,-0.4 -49,-0.2 2,-0.3 -0.956 43.6 134.0-106.4 114.5 13.4 3.1 -2.3 78 90 A A E -f 30 0B 0 -49,-1.7 -47,-2.2 -2,-0.6 2,-0.5 -0.978 60.2-109.5-151.0 162.1 10.1 1.4 -1.4 79 91 A Y E -B 63 0A 0 -16,-3.0 -16,-2.7 -2,-0.3 2,-0.4 -0.865 42.7-150.1 -88.5 134.4 6.9 1.4 0.5 80 92 A I E -B 62 0A 1 -2,-0.5 7,-3.0 -18,-0.2 8,-0.6 -0.908 9.1-161.0-116.3 133.7 7.2 -1.3 3.2 81 93 A Y E -BC 61 86A 16 -20,-2.6 -20,-2.1 -2,-0.4 2,-0.5 -0.924 7.6-163.2-117.4 135.2 4.3 -3.4 4.6 82 94 A A E > S-BC 60 85A 5 3,-2.9 3,-1.8 -2,-0.4 -22,-0.2 -0.958 84.0 -23.4-117.8 114.9 4.2 -5.2 7.8 83 95 A D T 3 S- 0 0 81 -24,-2.9 -1,-0.1 -2,-0.5 -23,-0.1 0.912 130.4 -48.8 43.0 46.0 1.4 -7.8 7.9 84 96 A G T 3 S+ 0 0 44 -25,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.366 116.1 114.9 85.3 -6.4 -0.4 -5.7 5.3 85 97 A K E < -C 82 0A 149 -3,-1.8 -3,-2.9 4,-0.0 2,-0.5 -0.852 68.1-123.1 -99.3 133.0 0.1 -2.3 7.1 86 98 A M E > -C 81 0A 9 -2,-0.5 4,-2.3 -5,-0.2 -5,-0.3 -0.599 12.9-158.2 -80.2 122.7 2.2 0.3 5.4 87 99 A V H > S+ 0 0 1 -7,-3.0 4,-2.5 -2,-0.5 5,-0.3 0.912 92.5 56.6 -61.8 -44.8 5.1 1.4 7.7 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.5 1,-0.2 -1,-0.2 0.939 112.5 40.7 -53.8 -53.6 5.5 4.7 5.7 89 101 A E H > S+ 0 0 67 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.899 112.6 55.1 -62.6 -38.9 1.8 5.6 6.3 90 102 A A H X S+ 0 0 23 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.894 106.9 49.9 -65.4 -43.3 1.8 4.4 9.9 91 103 A L H <>S+ 0 0 0 -4,-2.5 5,-2.4 2,-0.2 6,-0.8 0.915 113.6 46.5 -58.0 -44.8 4.9 6.6 10.9 92 104 A V H ><5S+ 0 0 0 -4,-1.5 3,-2.0 -5,-0.3 -2,-0.2 0.939 109.3 53.4 -66.9 -42.7 3.2 9.6 9.3 93 105 A R H 3<5S+ 0 0 73 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.798 109.8 50.3 -62.8 -29.0 -0.2 8.9 11.0 94 106 A Q T 3<5S- 0 0 74 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.382 114.3-116.0 -90.4 4.2 1.6 8.8 14.4 95 107 A G T < 5S+ 0 0 0 -3,-2.0 32,-2.4 2,-0.2 -3,-0.2 0.823 86.1 116.0 64.3 29.9 3.4 12.1 13.9 96 108 A L S - 0 0 152 -2,-1.0 3,-1.5 3,-0.4 -36,-0.1 -0.830 36.1 -98.3-105.6 139.9 9.7 13.4 -6.3 104 116 A K T 3 S+ 0 0 194 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 -0.220 111.2 23.2 -46.3 132.8 7.7 13.3 -9.6 105 117 A G T 3 S+ 0 0 38 -38,-0.1 -39,-0.6 1,-0.1 -38,-0.6 -0.024 112.8 66.1 92.2 -45.3 7.4 9.8 -10.5 106 118 A N S < S+ 0 0 12 -3,-1.5 -3,-0.4 -2,-0.3 -74,-0.1 -0.412 76.5 94.9-103.2 69.3 7.8 8.1 -7.1 107 119 A N > + 0 0 60 -2,-0.3 3,-2.1 -5,-0.1 4,-0.3 0.226 28.5 128.4-137.4 27.7 4.6 9.5 -5.6 108 120 A T T 3 S+ 0 0 75 1,-0.3 3,-0.4 -3,-0.2 4,-0.2 0.837 84.4 39.5 -51.5 -43.6 1.8 7.0 -5.9 109 121 A H T 3> S+ 0 0 37 1,-0.2 4,-2.5 2,-0.1 -1,-0.3 0.240 81.7 110.2 -96.7 22.2 0.9 7.2 -2.2 110 122 A E H <> S+ 0 0 30 -3,-2.1 4,-2.8 1,-0.2 5,-0.2 0.894 78.6 46.7 -59.0 -49.9 1.4 10.9 -1.6 111 123 A Q H > S+ 0 0 135 -3,-0.4 4,-2.1 -4,-0.3 -1,-0.2 0.919 111.7 51.9 -62.3 -41.7 -2.2 11.7 -1.1 112 124 A L H > S+ 0 0 71 -4,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.955 114.3 43.8 -56.9 -48.0 -2.7 8.8 1.3 113 125 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.893 111.5 51.4 -68.9 -41.4 0.3 9.9 3.3 114 126 A R H X S+ 0 0 97 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.873 107.5 55.7 -62.0 -30.8 -0.6 13.6 3.3 115 127 A K H X S+ 0 0 150 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.959 109.9 45.5 -66.2 -42.7 -4.1 12.5 4.5 116 128 A A H X S+ 0 0 7 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.867 109.9 53.9 -65.7 -43.2 -2.4 10.8 7.4 117 129 A E H X S+ 0 0 24 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.940 105.5 54.6 -60.6 -39.6 -0.2 13.7 8.1 118 130 A A H X S+ 0 0 36 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.929 110.0 45.4 -58.4 -44.4 -3.2 16.0 8.3 119 131 A Q H X S+ 0 0 74 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.937 112.8 51.4 -66.9 -39.6 -4.9 13.8 10.9 120 132 A A H <>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 -1,-0.2 0.896 111.7 45.9 -62.2 -43.1 -1.7 13.5 12.9 121 133 A K H ><5S+ 0 0 94 -4,-2.7 3,-1.4 3,-0.2 -1,-0.2 0.881 108.6 57.2 -66.5 -39.1 -1.2 17.3 12.9 122 134 A K H 3<5S+ 0 0 140 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.877 109.8 45.4 -56.5 -39.6 -4.9 17.7 13.9 123 135 A E T 3<5S- 0 0 87 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.394 109.6-125.9 -85.9 3.3 -4.3 15.6 16.9 124 136 A K T < 5 - 0 0 140 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.888 45.4-177.7 53.0 42.8 -1.0 17.5 17.7 125 137 A L > < - 0 0 41 -5,-2.3 3,-2.6 3,-0.2 2,-0.3 -0.591 43.7 -57.5 -82.4 127.9 0.8 14.1 17.8 126 138 A N G > S+ 0 0 51 -2,-0.4 3,-1.7 1,-0.3 -30,-0.2 -0.158 135.7 28.3 53.7-102.0 4.5 13.8 18.6 127 139 A I G 3 S+ 0 0 43 -32,-2.4 -1,-0.3 -2,-0.3 -31,-0.1 0.758 126.6 50.2 -62.3 -24.8 6.4 16.0 16.1 128 140 A W G < 0 0 53 -3,-2.6 -1,-0.3 -33,-0.1 -2,-0.2 0.393 360.0 360.0 -93.3 4.9 3.2 18.2 15.8 129 141 A S < 0 0 100 -3,-1.7 -4,-0.1 -34,-0.1 -5,-0.1 -0.413 360.0 360.0 -85.8 360.0 2.8 18.6 19.6