==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-APR-05 1ZB9 . COMPND 2 MOLECULE: ORGANIC HYDROPEROXIDE RESISTANCE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: XYLELLA FASTIDIOSA; . AUTHOR M.A.OLIVEIRA,B.G.GUIMARAES,J.R.CUSSIOL,F.J.MEDRANO,S.A.VIDIG . 283 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11938.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 21.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 28 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 2 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 . 0 0 1 3 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 2 A N 0 0 73 0, 0.0 2,-0.4 0, 0.0 276,-0.3 0.000 360.0 360.0 360.0-172.0 20.4 77.4 15.4 2 3 A S - 0 0 84 274,-0.1 2,-0.5 1,-0.1 238,-0.1 -0.657 360.0-122.6 -83.3 131.6 18.3 79.9 17.3 3 4 A L - 0 0 24 -2,-0.4 3,-0.2 1,-0.2 230,-0.1 -0.631 19.5-169.4 -80.0 120.7 14.8 80.5 15.9 4 5 A E S S- 0 0 194 -2,-0.5 2,-0.3 228,-0.5 -1,-0.2 0.921 80.6 -3.6 -70.0 -46.5 14.1 84.1 15.0 5 6 A K S S- 0 0 70 227,-0.3 2,-0.4 224,-0.0 227,-0.4 -0.986 72.8-131.7-146.4 148.7 10.4 83.3 14.5 6 7 A V - 0 0 60 -2,-0.3 225,-0.3 225,-0.2 3,-0.1 -0.845 4.4-160.2-107.4 142.7 8.5 80.0 14.6 7 8 A L S S+ 0 0 69 223,-2.4 2,-0.3 -2,-0.4 224,-0.2 0.774 81.7 10.7 -87.2 -30.6 6.0 78.9 12.0 8 9 A Y E -A 230 0A 36 222,-1.6 222,-2.3 173,-0.1 2,-0.5 -0.991 62.1-157.7-151.2 140.9 4.2 76.4 14.3 9 10 A T E -A 229 0A 47 -2,-0.3 2,-0.3 220,-0.2 220,-0.3 -0.970 10.1-150.1-125.7 118.5 4.3 75.7 18.0 10 11 A A E -A 228 0A 0 218,-3.0 218,-1.5 -2,-0.5 2,-0.4 -0.679 16.3-166.2 -81.7 138.2 3.2 72.4 19.4 11 12 A I E +A 227 0A 37 -2,-0.3 14,-3.1 216,-0.2 15,-0.3 -0.992 13.8 164.7-131.0 122.6 1.7 72.8 22.9 12 13 A V E -AB 226 24A 0 214,-2.9 214,-2.5 -2,-0.4 2,-0.5 -0.975 26.8-141.8-137.3 151.6 1.2 69.8 25.2 13 14 A T E -AB 225 23A 35 10,-2.7 10,-2.0 -2,-0.3 2,-0.4 -0.966 16.0-163.3-117.7 122.4 0.5 69.4 28.8 14 15 A A E +AB 224 22A 0 210,-3.3 210,-2.0 -2,-0.5 2,-0.4 -0.858 8.5 179.8-105.5 138.9 2.1 66.5 30.7 15 16 A T E +AB 223 21A 60 6,-2.4 6,-2.6 -2,-0.4 2,-0.5 -0.999 66.0 9.2-138.6 134.0 0.9 65.3 34.1 16 17 A G S S- 0 0 16 206,-0.7 2,-0.4 -2,-0.4 3,-0.3 -0.250 92.6-126.8 94.9 -46.6 2.3 62.4 36.1 17 18 A G S S- 0 0 0 -2,-0.5 3,-0.2 4,-0.3 -2,-0.2 -0.850 75.8 -4.7 105.6-141.3 5.4 61.8 33.9 18 19 A R S S+ 0 0 34 -2,-0.4 2,-0.6 183,-0.3 -1,-0.2 0.704 142.7 47.3 -64.6 -19.9 6.3 58.4 32.5 19 20 A D S S+ 0 0 114 -3,-0.3 -1,-0.3 15,-0.2 2,-0.2 -0.850 113.1 49.5-119.1 86.2 3.3 57.1 34.4 20 21 A G E S- C 0 33A 17 13,-1.0 13,-3.4 -2,-0.6 2,-0.3 -0.796 83.9 -80.1-177.8-136.1 0.8 59.7 33.5 21 22 A S E -BC 15 32A 16 -6,-2.6 -6,-2.4 11,-0.3 2,-0.4 -0.973 15.0-147.8-155.2 166.5 -0.6 61.4 30.4 22 23 A V E -BC 14 31A 0 9,-2.5 9,-2.5 -2,-0.3 2,-0.4 -0.995 13.5-175.4-140.5 133.8 0.0 64.0 27.8 23 24 A V E -BC 13 30A 43 -10,-2.0 -10,-2.7 -2,-0.4 7,-0.2 -0.996 21.2-132.4-133.5 127.1 -2.7 66.0 26.1 24 25 A S E > -B 12 0A 4 5,-3.2 3,-2.1 -2,-0.4 -12,-0.3 -0.403 28.6-109.7 -75.5 157.3 -2.0 68.5 23.3 25 26 A S T 3 S+ 0 0 80 -14,-3.1 -13,-0.1 1,-0.3 -1,-0.1 0.764 123.1 43.1 -56.4 -28.8 -3.6 72.0 23.5 26 27 A D T 3 S- 0 0 79 -15,-0.3 -1,-0.3 3,-0.1 -14,-0.1 0.307 109.4-125.6-100.2 6.0 -5.9 71.0 20.5 27 28 A N S < S+ 0 0 96 -3,-2.1 -2,-0.1 2,-0.2 3,-0.1 0.580 77.6 121.3 60.9 13.4 -6.5 67.6 22.0 28 29 A V S S+ 0 0 47 1,-0.2 2,-0.6 160,-0.1 161,-0.2 0.827 76.1 46.3 -73.7 -29.3 -5.4 65.9 18.8 29 30 A L + 0 0 1 159,-0.1 -5,-3.2 144,-0.1 2,-0.4 -0.957 68.8 155.8-114.5 113.9 -2.8 64.0 20.8 30 31 A N E +C 23 0A 79 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.845 16.8 157.2-141.3 99.1 -4.2 62.6 24.0 31 32 A V E -C 22 0A 20 -9,-2.5 -9,-2.5 -2,-0.4 2,-0.3 -0.924 36.1-136.5-131.0 152.6 -2.2 59.7 25.3 32 33 A K E -C 21 0A 128 -2,-0.3 15,-2.9 -11,-0.2 2,-0.4 -0.771 24.8-143.1-100.1 147.5 -1.6 57.8 28.6 33 34 A L E -Cd 20 47A 4 -13,-3.4 -13,-1.0 -2,-0.3 2,-0.3 -0.919 15.0-172.5-116.1 143.3 1.9 56.8 29.4 34 35 A S - 0 0 24 13,-2.5 -15,-0.2 -2,-0.4 10,-0.2 -0.973 27.3-118.3-132.1 145.3 3.1 53.6 31.1 35 36 A V - 0 0 27 8,-0.4 8,-2.4 -2,-0.3 13,-0.1 -0.748 34.2-125.3 -87.1 118.7 6.6 52.7 32.3 36 37 A P > > - 0 0 17 0, 0.0 5,-2.3 0, 0.0 3,-1.7 -0.204 17.6-117.3 -59.8 152.5 7.8 49.6 30.5 37 38 A Q G > 5S+ 0 0 155 1,-0.3 3,-2.4 3,-0.2 113,-0.0 0.840 114.7 67.1 -59.6 -32.1 9.0 46.6 32.6 38 39 A G G 3 5S+ 0 0 43 1,-0.3 -1,-0.3 2,-0.2 112,-0.0 0.754 101.4 48.2 -60.1 -24.1 12.4 47.1 31.2 39 40 A L G < 5S- 0 0 39 -3,-1.7 -1,-0.3 50,-0.0 -2,-0.2 0.117 130.7 -96.1-101.5 18.9 12.5 50.4 33.1 40 41 A G T < 5S+ 0 0 75 -3,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.605 86.2 131.2 78.2 12.0 11.3 48.7 36.3 41 42 A G S - 0 0 2 -15,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.974 29.1 -92.0-158.6 167.7 6.2 56.5 26.6 49 50 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.863 121.7 51.8 -53.6 -40.8 8.7 59.3 26.0 50 51 A E H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.903 111.2 46.0 -66.3 -41.8 10.9 57.2 23.8 51 52 A Q H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.903 114.6 48.9 -66.1 -40.9 8.0 56.0 21.6 52 53 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.926 115.3 43.0 -64.8 -44.4 6.8 59.6 21.3 53 54 A F H X S+ 0 0 2 -4,-2.9 4,-2.7 -5,-0.2 5,-0.3 0.932 113.8 51.7 -66.6 -44.7 10.2 60.9 20.4 54 55 A A H X S+ 0 0 1 -4,-3.0 4,-2.8 -5,-0.2 5,-0.3 0.907 109.4 52.2 -57.3 -42.7 10.8 58.0 18.0 55 56 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.942 112.3 42.4 -60.1 -51.6 7.5 58.8 16.4 56 57 A G H X S+ 0 0 0 -4,-2.2 4,-2.2 135,-0.2 5,-0.2 0.919 117.3 47.1 -63.3 -43.6 8.2 62.5 15.8 57 58 A Y H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.947 114.5 46.4 -62.8 -50.3 11.8 61.8 14.6 58 59 A S H X S+ 0 0 0 -4,-2.8 4,-1.5 -5,-0.3 -2,-0.2 0.917 112.6 49.5 -59.4 -47.7 10.8 59.0 12.3 59 60 A A H X S+ 0 0 0 -4,-2.5 4,-1.2 -5,-0.3 101,-0.2 0.913 115.0 43.9 -60.5 -44.6 7.9 60.9 10.8 60 61 A X H X S+ 0 0 13 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.877 105.2 61.4 -72.4 -32.7 10.0 63.9 10.1 61 62 A F H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.872 101.0 55.3 -60.5 -34.1 12.9 61.9 8.8 62 63 A I H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 -1,-0.2 0.923 108.3 48.5 -62.4 -42.5 10.6 60.7 6.0 63 64 A G H X S+ 0 0 25 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.902 111.0 49.6 -63.4 -41.4 9.9 64.3 5.2 64 65 A A H X S+ 0 0 7 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.913 111.6 49.5 -62.9 -42.6 13.6 65.1 5.2 65 66 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.927 112.0 47.3 -62.0 -46.6 14.2 62.1 2.9 66 67 A K H X S+ 0 0 62 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.876 111.8 52.6 -63.2 -37.1 11.4 63.2 0.5 67 68 A F H X S+ 0 0 113 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.962 113.0 40.9 -63.7 -53.6 12.8 66.7 0.5 68 69 A V H X S+ 0 0 5 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.857 113.3 55.0 -65.0 -34.9 16.4 65.7 -0.4 69 70 A A H <>S+ 0 0 1 -4,-2.5 5,-3.2 -5,-0.2 4,-0.2 0.949 112.0 43.2 -62.7 -48.1 15.2 63.2 -2.9 70 71 A N H ><5S+ 0 0 132 -4,-2.3 3,-1.3 3,-0.2 -2,-0.2 0.913 113.1 52.8 -63.2 -42.1 13.2 65.8 -4.7 71 72 A K H 3<5S+ 0 0 140 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.904 111.8 45.4 -59.1 -42.7 16.0 68.3 -4.4 72 73 A E T 3<5S- 0 0 81 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.398 113.5-121.4 -82.0 2.6 18.4 65.7 -6.0 73 74 A K T < 5 + 0 0 84 -3,-1.3 2,-0.6 1,-0.2 -3,-0.2 0.861 63.3 147.4 58.6 36.8 15.7 65.0 -8.6 74 75 A V < - 0 0 28 -5,-3.2 -1,-0.2 -6,-0.2 2,-0.2 -0.922 44.1-137.1-105.8 117.2 15.7 61.4 -7.5 75 76 A D - 0 0 147 -2,-0.6 -5,-0.0 -3,-0.1 3,-0.0 -0.512 14.6-127.9 -74.0 139.3 12.3 59.8 -7.9 76 77 A L - 0 0 51 -2,-0.2 -1,-0.1 1,-0.1 30,-0.1 -0.807 10.3-154.9 -89.9 119.5 11.3 57.6 -5.0 77 78 A P S S+ 0 0 75 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.588 78.0 5.3 -68.7 -10.3 10.2 54.1 -6.4 78 79 A A S S- 0 0 34 26,-0.0 3,-0.1 3,-0.0 30,-0.0 -0.974 96.1 -74.5-164.1 163.7 8.0 53.7 -3.3 79 80 A E - 0 0 121 -2,-0.3 27,-0.4 1,-0.1 25,-0.0 -0.494 57.2-115.0 -67.0 128.2 6.8 55.5 -0.2 80 81 A P - 0 0 0 0, 0.0 78,-0.8 0, 0.0 2,-0.4 -0.298 27.5-157.1 -63.6 151.5 9.7 55.6 2.3 81 82 A R E -GH 104 157B 83 23,-2.4 23,-2.9 76,-0.1 2,-0.5 -0.999 5.0-166.3-130.4 130.5 9.2 53.7 5.6 82 83 A V E -GH 103 156B 0 74,-2.4 74,-3.1 -2,-0.4 2,-0.8 -0.954 7.5-165.6-125.0 108.0 11.1 54.7 8.7 83 84 A E E -GH 102 155B 35 19,-2.9 19,-3.1 -2,-0.5 2,-0.4 -0.881 20.7-164.2 -85.3 110.8 11.2 52.3 11.6 84 85 A G E -GH 101 154B 0 70,-2.1 70,-2.5 -2,-0.8 2,-0.4 -0.802 7.7-169.8-100.4 136.3 12.5 54.5 14.3 85 86 A R E -GH 100 153B 64 15,-3.1 15,-2.4 -2,-0.4 2,-0.5 -0.989 6.4-168.7-124.3 139.7 13.9 53.1 17.5 86 87 A V E -GH 99 152B 1 66,-2.2 66,-3.2 -2,-0.4 2,-0.3 -0.968 9.9-166.2-127.0 115.6 14.8 55.0 20.6 87 88 A G E -GH 98 151B 2 11,-2.5 11,-1.7 -2,-0.5 2,-0.4 -0.689 4.0-161.3 -99.0 151.2 16.7 53.2 23.3 88 89 A I E +GH 97 150B 3 62,-2.4 61,-2.1 -2,-0.3 62,-1.7 -0.999 23.0 153.6-131.5 128.8 17.2 54.4 26.8 89 90 A G E -G 96 0B 0 7,-2.1 7,-2.6 -2,-0.4 2,-0.2 -0.901 45.4 -71.3-145.7 176.7 19.9 53.0 29.0 90 91 A E E +G 95 0B 136 57,-0.3 56,-0.4 -2,-0.3 57,-0.3 -0.490 47.1 169.5 -76.7 140.8 22.1 53.8 31.9 91 92 A I E > -G 94 0B 47 3,-2.9 3,-2.6 -2,-0.2 2,-0.7 -0.904 52.9 -68.2-140.5 164.9 25.0 56.2 31.5 92 93 A P T 3 S+ 0 0 139 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.433 127.8 18.7 -61.0 105.3 27.3 57.9 34.0 93 94 A G T 3 S- 0 0 64 -2,-0.7 2,-0.3 1,-0.2 -3,-0.0 0.289 133.5 -52.3 117.7 -9.4 24.9 60.2 35.9 94 95 A G E < S-G 91 0B 26 -3,-2.6 -3,-2.9 172,-0.0 2,-0.3 -0.930 92.9 -14.1 151.7-124.3 21.6 58.6 35.0 95 96 A F E -G 90 0B 84 170,-0.5 2,-0.3 -2,-0.3 -5,-0.2 -0.855 48.0-171.9-120.1 155.6 20.0 57.6 31.6 96 97 A G E -G 89 0B 7 -7,-2.6 -7,-2.1 -2,-0.3 2,-0.2 -0.917 17.4-121.6-139.1 165.2 20.8 58.4 28.0 97 98 A L E -G 88 0B 2 170,-0.3 38,-0.5 -2,-0.3 2,-0.3 -0.682 14.9-170.1-109.9 158.8 19.2 57.9 24.7 98 99 A V E -G 87 0B 14 -11,-1.7 -11,-2.5 -2,-0.2 2,-0.4 -0.973 12.5-151.7-139.8 143.9 20.2 56.3 21.4 99 100 A V E -Gi 86 136B 0 36,-2.9 38,-3.2 -2,-0.3 2,-0.4 -0.946 10.5-174.7-121.4 141.6 18.4 56.5 18.2 100 101 A E E -Gi 85 137B 50 -15,-2.4 -15,-3.1 -2,-0.4 2,-0.6 -0.992 5.7-166.4-132.4 122.5 18.2 54.0 15.3 101 102 A L E -Gi 84 138B 1 36,-3.4 38,-3.7 -2,-0.4 2,-0.8 -0.959 2.6-164.4-112.4 118.8 16.5 54.9 12.1 102 103 A R E -Gi 83 139B 48 -19,-3.1 -19,-2.9 -2,-0.6 2,-0.4 -0.914 15.2-165.4-104.6 108.1 15.8 52.0 9.8 103 104 A I E -Gi 82 140B 0 36,-3.0 38,-2.8 -2,-0.8 2,-0.4 -0.816 9.8-176.7-102.8 129.9 14.9 53.4 6.5 104 105 A A E +G 81 0B 1 -23,-2.9 -23,-2.4 -2,-0.4 2,-0.3 -0.977 16.0 169.9-121.7 138.0 13.3 51.5 3.6 105 106 A V > - 0 0 1 36,-0.4 3,-2.3 -2,-0.4 8,-0.1 -0.771 38.2-132.7-138.3 95.3 12.5 52.7 0.1 106 107 A S T 3 S+ 0 0 58 -27,-0.4 3,-0.1 -2,-0.3 36,-0.1 -0.207 85.9 13.6 -50.1 126.8 11.6 49.5 -1.8 107 108 A G T 3 S+ 0 0 69 1,-0.3 2,-0.3 -31,-0.0 -1,-0.3 0.330 93.0 126.6 90.2 -8.3 13.3 49.3 -5.1 108 109 A M < - 0 0 13 -3,-2.3 -1,-0.3 1,-0.1 -3,-0.2 -0.670 68.3-108.1 -87.5 138.9 15.9 52.0 -4.5 109 110 A E > - 0 0 141 -2,-0.3 4,-2.7 1,-0.1 3,-0.2 -0.391 25.3-127.6 -61.6 137.7 19.5 51.2 -5.1 110 111 A R H > S+ 0 0 78 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.891 108.1 56.0 -55.1 -43.6 21.3 51.0 -1.7 111 112 A S H > S+ 0 0 91 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.911 111.6 43.1 -55.8 -45.8 24.0 53.5 -2.8 112 113 A M H > S+ 0 0 67 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.915 113.3 50.8 -67.7 -45.0 21.3 56.1 -3.7 113 114 A L H X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.902 109.3 52.7 -60.2 -39.6 19.3 55.4 -0.6 114 115 A Q H X S+ 0 0 72 -4,-3.0 4,-2.7 -5,-0.2 -1,-0.2 0.940 109.4 48.5 -60.4 -47.2 22.5 55.9 1.4 115 116 A T H X S+ 0 0 64 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.918 115.1 44.4 -59.2 -44.8 23.2 59.2 -0.2 116 117 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.906 112.5 51.2 -67.8 -42.9 19.7 60.4 0.4 117 118 A V H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.914 110.9 49.0 -61.3 -43.0 19.6 59.2 4.0 118 119 A D H X S+ 0 0 70 -4,-2.7 4,-1.0 -5,-0.2 -1,-0.2 0.898 113.6 46.1 -64.7 -39.4 22.9 60.9 4.7 119 120 A K H X S+ 0 0 72 -4,-2.0 4,-1.2 -5,-0.2 3,-0.4 0.903 111.6 51.4 -69.0 -40.4 21.6 64.2 3.2 120 121 A A H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 3,-0.4 0.885 105.3 56.9 -62.8 -38.4 18.3 63.9 5.0 121 122 A H H < S+ 0 0 36 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.812 103.9 54.4 -62.5 -31.3 20.2 63.4 8.3 122 123 A R H < S+ 0 0 186 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.810 118.4 32.0 -73.6 -31.0 21.9 66.7 7.6 123 124 A V H < S+ 0 0 40 -4,-1.2 114,-0.5 -3,-0.4 -2,-0.2 0.571 87.0 114.5-103.9 -11.0 18.7 68.7 7.2 124 125 A C >X - 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0 0 2 36,-0.5 3,-1.9 -2,-0.5 8,-0.1 -0.771 30.6-142.2-133.0 95.9 4.9 73.1 41.1 248 107 B S T 3 S+ 0 0 82 -2,-0.3 3,-0.1 -27,-0.3 36,-0.1 -0.272 83.5 19.1 -59.2 132.4 2.2 74.7 43.2 249 108 B G T 3 S+ 0 0 63 1,-0.3 2,-0.4 -31,-0.0 -1,-0.3 0.318 94.7 120.5 91.7 -8.3 3.4 75.6 46.7 250 109 B M < - 0 0 13 -3,-1.9 -1,-0.3 1,-0.0 -3,-0.2 -0.766 69.2-113.8 -96.0 134.0 7.1 75.5 45.9 251 110 B E > - 0 0 141 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.356 24.5-125.8 -59.8 140.0 9.3 78.5 46.3 252 111 B R H > S+ 0 0 85 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.878 109.9 55.7 -56.3 -40.6 10.5 79.8 42.9 253 112 B S H > S+ 0 0 88 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.916 111.8 42.9 -59.1 -44.2 14.1 79.7 44.1 254 113 B M H > S+ 0 0 69 2,-0.2 4,-2.5 -3,-0.2 -2,-0.2 0.905 114.1 50.0 -69.3 -42.9 13.7 76.0 45.0 255 114 B L H X S+ 0 0 1 -4,-2.8 4,-3.4 2,-0.2 5,-0.3 0.929 109.2 53.0 -61.8 -43.2 11.8 75.2 41.9 256 115 B Q H X S+ 0 0 75 -4,-3.2 4,-2.8 -5,-0.2 -1,-0.2 0.938 109.9 48.4 -56.0 -48.1 14.5 76.9 39.8 257 116 B T H X S+ 0 0 63 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.920 114.7 44.3 -59.2 -45.9 17.2 74.8 41.5 258 117 B L H X S+ 0 0 4 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.893 113.0 51.5 -67.5 -40.2 15.2 71.5 40.9 259 118 B V H X S+ 0 0 0 -4,-3.4 4,-2.4 2,-0.2 -2,-0.2 0.923 110.4 48.9 -62.2 -44.8 14.4 72.5 37.4 260 119 B D H X S+ 0 0 55 -4,-2.8 4,-0.9 -5,-0.3 -1,-0.2 0.907 113.7 46.3 -62.9 -40.6 18.1 73.2 36.6 261 120 B K H >X S+ 0 0 60 -4,-2.1 4,-1.2 -5,-0.2 3,-0.6 0.910 111.4 51.4 -67.3 -42.1 19.1 69.9 38.2 262 121 B A H 3X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.3 3,-0.4 0.882 105.5 56.8 -61.4 -38.2 16.4 68.0 36.3 263 122 B H H 3< S+ 0 0 35 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.783 103.9 54.1 -64.5 -27.4 17.6 69.7 33.1 264 123 B R H << S+ 0 0 148 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.805 118.0 32.9 -77.6 -29.1 21.1 68.2 33.7 265 124 B V H < S+ 0 0 40 -4,-1.2 -170,-0.5 -3,-0.4 -2,-0.2 0.600 87.1 113.3-102.9 -13.8 19.8 64.6 34.1 266 125 B C >X - 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 3,-0.8 -0.455 62.0-144.4 -64.3 119.4 16.9 64.7 31.6 267 126 B P H 3> S+ 0 0 9 0, 0.0 4,-2.1 0, 0.0 -170,-0.3 0.831 101.2 50.1 -51.5 -38.7 17.9 62.3 28.7 268 127 B Y H 3> S+ 0 0 0 2,-0.2 4,-1.3 1,-0.2 -69,-0.1 0.782 109.3 51.0 -74.8 -26.7 16.1 64.6 26.3 269 128 B S H <> S+ 0 0 0 -3,-0.8 4,-1.0 2,-0.2 -1,-0.2 0.892 112.5 45.9 -75.4 -40.2 17.9 67.6 27.6 270 129 B N H < S+ 0 0 52 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.884 110.9 54.3 -68.6 -35.7 21.2 65.8 27.2 271 130 B A H < S+ 0 0 0 -4,-2.1 -138,-0.3 -5,-0.2 -137,-0.2 0.826 117.9 34.2 -66.1 -33.4 20.2 64.7 23.7 272 131 B T H >X S+ 0 0 2 -4,-1.3 3,-2.2 -139,-0.1 4,-1.3 0.446 84.7 143.6-101.9 -2.5 19.5 68.3 22.6 273 132 B R T 3< S- 0 0 84 -4,-1.0 4,-0.1 -3,-0.3 -3,-0.1 -0.092 78.4 -7.6 -44.7 122.3 22.2 70.0 24.7 274 133 B G T 34 S+ 0 0 76 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.368 117.8 84.7 72.4 -4.5 23.7 72.9 22.8 275 134 B N T <4 S+ 0 0 48 -3,-2.2 2,-0.3 -146,-0.3 -2,-0.2 0.778 99.8 10.1 -97.3 -34.4 21.9 72.2 19.5 276 135 B I S < S- 0 0 15 -4,-1.3 2,-0.4 -147,-0.3 -2,-0.3 -0.924 85.8 -95.4-139.7 163.3 18.7 74.0 20.1 277 136 B D - 0 0 74 -38,-0.5 -36,-2.9 -276,-0.3 2,-0.5 -0.663 30.7-169.7 -82.3 129.0 17.3 76.3 22.8 278 137 B V E -f 241 0A 27 -2,-0.4 2,-0.6 -38,-0.2 -36,-0.2 -0.962 10.8-158.4-114.1 112.2 15.5 74.7 25.6 279 138 B V E -f 242 0A 63 -38,-3.4 -36,-3.1 -2,-0.5 2,-0.7 -0.811 1.7-156.7 -96.9 120.6 13.8 77.4 27.6 280 139 B L E -f 243 0A 34 -2,-0.6 2,-0.4 -38,-0.2 -36,-0.2 -0.890 17.6-175.7 -97.6 110.6 12.9 76.3 31.2 281 140 B I E -f 244 0A 50 -38,-3.3 -36,-3.0 -2,-0.7 2,-0.6 -0.913 20.5-140.4-113.4 132.3 10.1 78.6 32.4 282 141 B L E -f 245 0A 41 -2,-0.4 2,-0.3 -38,-0.2 -36,-0.2 -0.802 28.7-169.2 -91.5 124.7 8.6 78.5 35.9 283 142 B I 0 0 28 -38,-2.7 -36,-0.5 -2,-0.6 -39,-0.0 -0.793 360.0 360.0-118.0 162.0 4.8 79.0 35.8 284 143 B D 0 0 162 -2,-0.3 -38,-0.1 -38,-0.1 -2,-0.0 -0.755 360.0 360.0 88.2 360.0 2.0 79.7 38.2