==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 19-NOV-08 3FBG . COMPND 2 MOLECULE: PUTATIVE ARGINATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS HAEMOLYTICUS; . AUTHOR J.B.BONANNO,M.GILMORE,K.T.BAIN,J.DO,R.ROMERO,S.WASSERMAN,J.M . 668 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27039.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 465 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 12.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 38 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 22.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 3.0 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 5 0 2 0 2 0 2 2 6 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 6 4 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 . 5 0 3 5 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 0 2 0 0 0 0 1 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 0 A S 0 0 107 0, 0.0 2,-0.4 0, 0.0 24,-0.2 0.000 360.0 360.0 360.0 165.1 37.1 2.8 77.3 2 1 A L E -A 24 0A 9 22,-3.0 22,-2.4 99,-0.0 2,-0.4 -0.983 360.0-126.4-135.8 143.5 36.8 6.1 75.5 3 2 A K E +A 23 0A 28 -2,-0.4 97,-2.4 20,-0.2 2,-0.3 -0.738 31.7 176.6 -88.7 135.9 34.9 9.4 76.0 4 3 A A E -AB 22 99A 1 18,-1.7 18,-3.0 -2,-0.4 2,-0.5 -0.989 24.7-137.4-136.0 142.2 32.9 10.6 73.0 5 4 A I E +A 21 0A 4 93,-2.6 57,-0.4 -2,-0.3 2,-0.2 -0.894 45.4 134.3-100.8 126.6 30.6 13.6 72.7 6 5 A G E -A 20 0A 1 14,-2.5 14,-2.6 -2,-0.5 2,-0.3 -0.826 40.3-123.6-155.4-172.9 27.3 12.9 70.9 7 6 A F B -C 60 0B 1 53,-1.5 53,-2.7 -2,-0.2 12,-0.1 -0.975 9.6-142.5-147.2 158.6 23.6 13.2 70.8 8 7 A E S S+ 0 0 81 10,-0.3 47,-0.2 -2,-0.3 -1,-0.1 0.769 84.4 12.7 -94.3 -30.9 20.5 11.0 70.6 9 8 A Q S S- 0 0 146 9,-0.1 -1,-0.3 45,-0.1 45,-0.1 -0.982 88.2 -88.0-145.9 152.9 18.3 13.1 68.3 10 9 A P + 0 0 46 0, 0.0 2,-0.3 0, 0.0 42,-0.2 -0.275 53.2 174.9 -58.9 145.2 18.6 16.0 66.0 11 10 A F - 0 0 8 40,-1.4 2,-0.2 42,-0.0 42,-0.1 -0.998 32.9-118.3-154.4 150.7 18.2 19.4 67.7 12 11 A K > - 0 0 130 -2,-0.3 3,-1.8 1,-0.1 4,-0.1 -0.554 34.5-118.1 -79.9 152.9 18.3 23.2 67.2 13 12 A L G > S+ 0 0 13 1,-0.3 3,-1.8 -2,-0.2 -1,-0.1 0.802 114.6 66.4 -66.8 -22.6 20.8 25.1 69.3 14 13 A S G 3 S+ 0 0 101 1,-0.3 -1,-0.3 2,-0.0 3,-0.1 0.731 87.3 68.7 -69.6 -18.2 17.9 26.9 70.8 15 14 A D G < S- 0 0 92 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.483 112.7-118.6 -73.2 -4.3 16.8 23.6 72.3 16 15 A G < - 0 0 25 -3,-1.8 2,-1.9 -4,-0.1 -1,-0.2 -0.204 50.7 -30.2 90.3 175.9 19.9 23.9 74.6 17 16 A N + 0 0 54 1,-0.2 -1,-0.1 -3,-0.1 -4,-0.1 -0.471 62.9 159.3 -70.6 85.0 23.1 21.9 75.1 18 17 A L + 0 0 90 -2,-1.9 -10,-0.3 2,-0.1 -1,-0.2 0.368 33.7 118.4 -91.7 6.0 21.7 18.4 74.3 19 18 A F - 0 0 7 294,-0.2 2,-0.3 -12,-0.1 -12,-0.2 -0.459 49.6-163.9 -62.6 149.1 25.2 17.1 73.6 20 19 A K E -A 6 0A 92 -14,-2.6 -14,-2.5 -2,-0.1 2,-0.5 -0.943 20.1-115.4-137.2 156.0 26.0 14.3 76.0 21 20 A T E -A 5 0A 91 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.833 33.9-166.0 -96.9 129.0 29.1 12.5 77.2 22 21 A F E -A 4 0A 33 -18,-3.0 -18,-1.7 -2,-0.5 2,-0.6 -0.863 18.8-142.3-118.9 148.6 29.3 8.8 76.3 23 22 A N E +A 3 0A 134 -2,-0.3 2,-0.3 -20,-0.2 -20,-0.2 -0.958 33.6 174.1-108.1 118.4 31.5 6.0 77.5 24 23 A L E -A 2 0A 50 -22,-2.4 -22,-3.0 -2,-0.6 2,-0.1 -0.885 35.1-101.7-126.9 154.5 32.3 3.7 74.7 25 24 A D - 0 0 148 -2,-0.3 0, 0.0 -24,-0.2 0, 0.0 -0.467 41.7-111.4 -68.1 144.7 34.5 0.6 74.0 26 25 A I - 0 0 70 -2,-0.1 -1,-0.1 1,-0.0 76,-0.0 -0.723 38.7-135.0 -77.8 119.2 37.8 1.3 72.2 27 26 A P - 0 0 48 0, 0.0 75,-0.1 0, 0.0 -1,-0.0 -0.218 4.2-130.9 -72.8 161.5 37.5 -0.3 68.8 28 27 A E - 0 0 83 75,-0.0 2,-0.1 6,-0.0 6,-0.1 -0.930 33.7-105.6-111.0 141.6 40.2 -2.4 67.0 29 28 A P - 0 0 22 0, 0.0 46,-0.3 0, 0.0 6,-0.1 -0.435 26.9-130.1 -75.1 138.7 41.0 -1.5 63.4 30 29 A K > - 0 0 142 44,-0.2 3,-2.9 -2,-0.1 44,-0.4 -0.231 50.7 -69.2 -67.3 168.7 39.8 -3.7 60.4 31 30 A V T 3 S+ 0 0 62 1,-0.3 45,-2.3 43,-0.2 46,-0.5 0.702 134.2 20.4 -29.7 -52.1 42.2 -4.8 57.7 32 31 A H T 3 S+ 0 0 79 44,-0.1 74,-2.7 43,-0.1 -1,-0.3 0.131 106.0 103.3-112.2 16.7 42.8 -1.4 56.1 33 32 A E E < -D 105 0C 17 -3,-2.9 41,-2.9 72,-0.3 2,-0.3 -0.704 52.9-153.6 -99.8 152.7 41.7 0.8 59.1 34 33 A I E -DE 104 73C 0 70,-2.6 70,-1.9 -2,-0.3 2,-0.5 -0.890 12.5-136.4-118.0 151.8 43.9 2.7 61.6 35 34 A L E -DE 103 72C 5 37,-2.6 36,-3.1 -2,-0.3 37,-1.4 -0.964 24.7-162.7-109.5 123.6 43.0 3.6 65.2 36 35 A V E -DE 102 70C 0 66,-2.9 66,-1.7 -2,-0.5 2,-0.8 -0.916 18.5-142.4-113.9 133.7 44.0 7.2 66.0 37 36 A K E -DE 101 69C 88 32,-3.2 32,-2.3 -2,-0.4 64,-0.2 -0.877 36.9-128.2 -92.7 111.6 44.3 8.7 69.5 38 37 A I E + E 0 68C 5 62,-1.7 30,-0.3 -2,-0.8 3,-0.1 -0.345 36.2 171.0 -68.8 134.0 43.0 12.2 68.8 39 38 A Q E - 0 0 74 28,-3.2 297,-2.5 1,-0.4 2,-0.3 0.777 69.2 -0.2-105.7 -45.6 44.9 15.3 69.8 40 39 A S E -FE 335 67C 6 27,-1.6 27,-1.8 295,-0.2 -1,-0.4 -0.964 59.8-169.7-144.9 156.5 43.0 18.2 68.2 41 40 A I E -FE 334 66C 0 293,-2.3 293,-2.6 -2,-0.3 2,-0.3 -0.900 13.9-137.1-138.3 166.9 39.8 18.6 66.0 42 41 A S E -F 333 0C 0 23,-1.0 22,-0.5 -2,-0.3 2,-0.4 -0.939 13.5-135.4-125.4 155.1 38.1 21.4 64.1 43 42 A V E -F 332 0C 0 289,-1.9 289,-0.5 -2,-0.3 -2,-0.0 -0.938 28.0-173.6-110.7 134.0 34.4 22.2 63.9 44 43 A N >> - 0 0 1 -2,-0.4 3,-1.4 287,-0.1 4,-0.9 -0.732 41.9-101.1-125.3 164.7 33.0 22.9 60.5 45 44 A P H >> S+ 0 0 81 0, 0.0 4,-1.5 0, 0.0 3,-0.6 0.876 119.6 64.0 -52.9 -35.6 29.7 24.1 58.9 46 45 A V H 3> S+ 0 0 32 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.805 93.2 61.1 -63.1 -26.7 29.0 20.5 58.1 47 46 A D H <> S+ 0 0 0 -3,-1.4 4,-1.5 1,-0.2 -1,-0.3 0.927 104.7 48.4 -60.8 -45.0 28.9 19.6 61.8 48 47 A T H << S+ 0 0 8 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.825 113.7 46.2 -70.1 -31.4 26.0 22.0 62.3 49 48 A K H >< S+ 0 0 138 -4,-1.5 3,-1.3 1,-0.2 -1,-0.2 0.877 110.8 51.2 -75.1 -38.6 24.1 20.6 59.4 50 49 A Q H >< S+ 0 0 29 -4,-2.4 3,-1.6 1,-0.3 -2,-0.2 0.742 96.3 70.2 -71.0 -26.3 24.7 17.0 60.3 51 50 A R T 3< S+ 0 0 3 -4,-1.5 -40,-1.4 1,-0.3 -1,-0.3 0.558 95.1 57.9 -65.3 -8.0 23.4 17.8 63.9 52 51 A L T < S+ 0 0 91 -3,-1.3 -1,-0.3 -42,-0.2 2,-0.2 0.421 87.4 100.8-101.3 2.0 19.9 18.1 62.1 53 52 A M S < S- 0 0 87 -3,-1.6 -42,-0.0 1,-0.1 -3,-0.0 -0.611 83.1 -95.0 -89.5 149.0 19.9 14.6 60.7 54 53 A D - 0 0 143 -2,-0.2 2,-0.7 -45,-0.1 -1,-0.1 -0.271 36.8-124.5 -56.1 139.1 18.0 11.6 62.1 55 54 A V - 0 0 30 -47,-0.2 3,-0.2 1,-0.2 -1,-0.1 -0.815 21.8-169.5 -93.0 113.9 20.1 9.4 64.3 56 55 A S S S+ 0 0 133 -2,-0.7 2,-0.4 1,-0.3 -1,-0.2 0.948 77.8 4.1 -69.7 -52.1 20.0 5.9 63.0 57 56 A K S S- 0 0 80 2,-0.0 -1,-0.3 0, 0.0 0, 0.0 -0.944 104.2 -76.3-139.5 119.3 21.6 4.3 66.1 58 57 A A S S+ 0 0 67 -2,-0.4 -50,-0.1 -3,-0.2 2,-0.1 -0.241 99.7 36.1 -66.3 145.7 22.5 6.2 69.2 59 58 A P - 0 0 20 0, 0.0 2,-0.4 0, 0.0 -51,-0.2 0.591 65.3-154.9 -93.9 158.6 24.6 8.0 69.8 60 59 A R B -C 7 0B 36 -53,-2.7 -53,-1.5 -2,-0.1 2,-0.5 -0.699 14.3-163.0 -75.9 128.7 25.5 10.2 66.7 61 60 A V - 0 0 2 -2,-0.4 35,-2.4 -55,-0.2 -55,-0.2 -0.959 7.8-168.6-120.2 115.3 29.2 11.3 67.1 62 61 A L + 0 0 2 -2,-0.5 36,-2.3 -57,-0.4 -57,-0.1 0.019 31.3 117.4 -91.0-164.5 30.2 14.3 64.8 63 62 A G - 0 0 0 33,-0.3 34,-1.8 34,-0.2 35,-0.1 0.548 26.1-174.2 102.5 110.9 33.6 15.7 64.0 64 63 A F + 0 0 1 -22,-0.5 2,-0.3 32,-0.2 62,-0.1 -0.070 66.6 60.4-131.7 30.7 35.1 15.8 60.5 65 64 A D + 0 0 1 -23,-0.3 -23,-1.0 60,-0.1 2,-0.3 -0.917 63.1 159.0-157.0 129.1 38.6 17.1 61.0 66 65 A A E -EG 41 88C 0 22,-2.4 22,-1.7 -2,-0.3 2,-0.3 -0.997 24.7-170.3-151.8 156.5 41.2 15.5 63.2 67 66 A I E +EG 40 87C 2 -27,-1.8 -28,-3.2 -2,-0.3 -27,-1.6 -0.982 33.7 120.0-142.4 144.1 44.9 15.1 64.0 68 67 A G E -EG 38 86C 0 18,-2.2 18,-2.6 -2,-0.3 2,-0.4 -0.955 56.0 -68.2-175.7-170.4 46.4 12.5 66.3 69 68 A V E -EG 37 85C 39 -32,-2.3 -32,-3.2 -2,-0.3 2,-0.4 -0.865 45.8-111.3-109.4 138.5 48.8 9.6 66.8 70 69 A V E -E 36 0C 3 14,-2.3 13,-2.6 -2,-0.4 -34,-0.3 -0.546 32.3-179.8 -70.0 118.5 48.3 6.2 65.3 71 70 A E E - 0 0 85 -36,-3.1 2,-0.3 -2,-0.4 -1,-0.2 0.796 64.7 -19.6 -84.6 -40.6 47.5 3.8 68.2 72 71 A S E -E 35 0C 26 -37,-1.4 -37,-2.6 9,-0.1 -1,-0.3 -0.970 59.4-137.4-159.9 172.3 47.2 0.6 66.1 73 72 A V E -E 34 0C 48 -2,-0.3 -39,-0.2 -39,-0.2 -42,-0.1 -0.985 24.6-106.1-143.4 147.1 46.6 -0.6 62.6 74 73 A G > - 0 0 4 -41,-2.9 3,-1.6 -44,-0.4 -43,-0.2 -0.229 50.1 -94.1 -65.6 165.2 44.6 -3.3 60.8 75 74 A N T 3 S+ 0 0 141 1,-0.3 -43,-0.1 -46,-0.3 -44,-0.1 0.408 118.9 37.6 -79.8 5.9 46.6 -6.2 59.5 76 75 A E T 3 S+ 0 0 113 -45,-2.3 2,-0.3 -46,-0.2 -1,-0.3 0.235 79.6 126.8-129.2 9.1 47.2 -5.1 55.9 77 76 A V < + 0 0 18 -3,-1.6 -45,-0.1 -46,-0.5 -44,-0.1 -0.533 20.3 161.1 -62.8 131.1 47.7 -1.4 56.5 78 77 A T + 0 0 121 -2,-0.3 -1,-0.2 -46,-0.1 -46,-0.0 0.465 59.2 74.4-122.0 -13.2 51.0 -0.4 54.9 79 78 A M S S+ 0 0 53 1,-0.1 2,-0.3 31,-0.0 -2,-0.1 0.679 102.9 26.6 -79.7 -18.0 50.6 3.4 54.7 80 79 A F - 0 0 4 30,-0.0 2,-0.3 4,-0.0 -1,-0.1 -0.986 61.7-150.7-147.5 149.9 51.1 4.1 58.4 81 80 A N > - 0 0 114 -2,-0.3 3,-2.0 1,-0.1 -11,-0.3 -0.836 43.5 -81.9-114.9 157.5 52.9 2.7 61.5 82 81 A Q T 3 S+ 0 0 140 -2,-0.3 -11,-0.2 1,-0.2 3,-0.1 -0.297 119.0 32.2 -49.2 137.7 52.0 2.9 65.3 83 82 A G T 3 S+ 0 0 47 -13,-2.6 -1,-0.2 1,-0.3 -12,-0.1 0.099 83.6 134.3 96.3 -23.8 53.3 6.3 66.5 84 83 A D < - 0 0 37 -3,-2.0 -14,-2.3 -15,-0.1 2,-0.6 -0.340 55.4-131.0 -59.0 139.3 52.8 8.3 63.2 85 84 A I E +G 69 0C 87 -16,-0.2 27,-1.9 27,-0.1 2,-0.3 -0.834 40.7 171.0 -92.1 117.0 51.2 11.7 63.6 86 85 A V E -GH 68 111C 0 -18,-2.6 -18,-2.2 -2,-0.6 2,-0.3 -0.872 22.6-159.8-129.0 160.5 48.3 11.9 61.0 87 86 A Y E +GH 67 110C 0 23,-2.4 23,-1.7 -2,-0.3 2,-0.3 -0.945 20.7 144.5-140.7 161.3 45.4 14.1 60.0 88 87 A Y E -GH 66 109C 0 -22,-1.7 -22,-2.4 -2,-0.3 38,-0.3 -0.957 41.8-131.2-177.9 169.3 42.2 13.5 58.0 89 88 A S - 0 0 0 19,-0.5 2,-0.2 -2,-0.3 8,-0.2 0.706 37.6-173.0-109.5 -48.2 38.6 14.4 57.7 90 89 A G - 0 0 5 18,-0.4 -1,-0.1 15,-0.1 -26,-0.1 -0.576 28.6 -67.6 86.9-141.0 36.8 11.1 57.3 91 90 A S > - 0 0 10 -2,-0.2 3,-1.3 4,-0.1 181,-0.0 -0.996 24.3-122.0-158.8 144.3 33.1 10.6 56.5 92 91 A P T 3 S+ 0 0 15 0, 0.0 4,-0.1 0, 0.0 -31,-0.1 0.585 103.0 72.5 -73.7 -6.3 29.6 11.2 58.1 93 92 A D T 3 S+ 0 0 82 2,-0.1 2,-0.3 0, 0.0 -3,-0.0 0.351 98.4 52.5 -87.4 5.3 28.6 7.5 57.8 94 93 A Q S < S- 0 0 85 -3,-1.3 -3,-0.1 -33,-0.1 -33,-0.0 -0.921 106.2 -77.3-134.3 158.5 31.1 6.5 60.6 95 94 A N - 0 0 102 -2,-0.3 8,-0.2 1,-0.1 -33,-0.2 -0.389 59.1-137.0 -57.1 136.4 31.6 7.8 64.2 96 95 A G - 0 0 2 -35,-2.4 -33,-0.3 -4,-0.1 -32,-0.2 0.163 24.3 -81.6 -86.8-161.3 33.5 11.1 63.9 97 96 A S S S+ 0 0 1 -34,-1.8 2,-2.4 -8,-0.2 -34,-0.2 0.382 91.9 103.2 -92.0 0.4 36.3 12.8 65.6 98 97 A N S S+ 0 0 2 -36,-2.3 -93,-2.6 -35,-0.1 2,-0.3 -0.376 76.5 75.5 -77.9 58.6 34.4 14.2 68.7 99 98 A A B S-B 4 0A 6 -2,-2.4 -95,-0.2 -95,-0.2 -61,-0.2 -0.977 92.5-106.3-162.1 162.7 36.0 11.4 70.7 100 99 A E S S+ 0 0 76 -97,-2.4 -62,-1.7 -2,-0.3 2,-0.3 0.787 104.7 18.2 -70.9 -26.1 39.3 10.3 72.3 101 100 A Y E -D 37 0C 35 -64,-0.2 2,-0.3 -98,-0.2 -64,-0.2 -0.945 68.3-176.1-139.1 157.9 39.9 7.6 69.6 102 101 A Q E -D 36 0C 13 -66,-1.7 -66,-2.9 -2,-0.3 2,-0.4 -0.980 21.0-130.8-156.2 146.0 38.6 7.0 66.1 103 102 A L E +D 35 0C 34 -2,-0.3 2,-0.3 -68,-0.2 -68,-0.2 -0.801 29.9 170.1 -93.3 141.2 38.9 4.5 63.3 104 103 A I E -D 34 0C 3 -70,-1.9 -70,-2.6 -2,-0.4 2,-0.2 -0.997 37.6-108.1-147.3 142.5 39.6 5.7 59.7 105 104 A N E > -D 33 0C 34 -2,-0.3 3,-2.2 -72,-0.2 -72,-0.3 -0.524 31.1-125.2 -67.3 137.1 40.5 3.9 56.5 106 105 A E G > S+ 0 0 13 -74,-2.7 3,-1.3 1,-0.3 -1,-0.1 0.722 105.8 66.2 -56.8 -24.4 44.2 4.4 55.5 107 106 A R G 3 S+ 0 0 82 1,-0.3 178,-1.6 -75,-0.3 -1,-0.3 0.549 99.6 53.3 -78.6 -6.4 43.3 5.7 52.0 108 107 A L G < S+ 0 0 10 -3,-2.2 -19,-0.5 176,-0.2 -18,-0.4 0.272 102.3 72.5-104.8 9.6 41.7 8.8 53.7 109 108 A V E < -H 88 0C 0 -3,-1.3 2,-0.3 -21,-0.1 -21,-0.2 -0.826 49.7-177.7-128.8 152.4 44.7 9.8 55.8 110 109 A A E -H 87 0C 2 -23,-1.7 -23,-2.4 -2,-0.3 2,-0.1 -0.983 40.3 -93.3-140.5 159.4 48.1 11.4 55.5 111 110 A K E -H 86 0C 106 -2,-0.3 -25,-0.3 -25,-0.2 181,-0.1 -0.496 49.1-116.6 -66.7 141.3 50.9 12.2 57.9 112 111 A A - 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0 0 4 -27,-2.3 -27,-0.1 -44,-0.2 -1,-0.1 -0.452 29.0 -93.9 -84.0 155.9 32.9 18.9 2.8 448 112 B P - 0 0 6 0, 0.0 -1,-0.1 0, 0.0 8,-0.1 -0.353 28.8-156.2 -66.8 155.1 33.5 15.2 2.2 449 113 B K S S+ 0 0 159 178,-0.1 4,-0.1 1,-0.1 -2,-0.0 0.393 78.9 75.6-116.5 -0.1 33.3 14.2 -1.5 450 114 B N S S+ 0 0 72 2,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.361 97.3 50.4 -95.0 1.8 32.5 10.6 -1.2 451 115 B I S S- 0 0 41 -3,-0.1 180,-0.0 185,-0.0 179,-0.0 -0.935 96.1 -91.7-131.1 161.9 28.9 11.3 -0.3 452 116 B S >> - 0 0 57 -2,-0.3 4,-2.5 1,-0.1 3,-0.7 -0.229 33.7-114.4 -68.3 155.2 26.2 13.6 -2.0 453 117 B A H 3> S+ 0 0 34 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.910 117.5 56.7 -54.6 -43.7 25.8 17.3 -0.9 454 118 B E H 34 S+ 0 0 63 1,-0.2 -1,-0.2 2,-0.2 4,-0.0 0.751 111.7 43.1 -64.9 -24.0 22.3 16.4 0.5 455 119 B Q H X4 S+ 0 0 48 -3,-0.7 3,-1.6 2,-0.1 183,-0.5 0.873 110.9 52.8 -84.8 -42.4 23.8 13.7 2.7 456 120 B A H >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.3 -2,-0.2 0.841 97.6 66.5 -66.4 -28.3 26.8 15.8 3.9 457 121 B V T 3< S+ 0 0 0 -4,-2.2 4,-0.3 1,-0.3 -1,-0.3 0.567 84.6 74.1 -76.0 0.1 24.6 18.7 5.0 458 122 B S T < S+ 0 0 0 -3,-1.6 4,-0.3 1,-0.2 -1,-0.3 0.692 95.2 56.0 -75.2 -13.3 23.1 16.4 7.7 459 123 B L S <> S+ 0 0 0 -3,-1.8 4,-2.5 -4,-0.2 5,-0.3 0.706 79.5 73.4-101.7 -26.2 26.4 16.8 9.7 460 124 B P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.970 104.9 31.8 -66.0 -56.3 27.5 20.3 10.5 461 125 B L H > S+ 0 0 14 -4,-0.3 4,-2.3 -38,-0.2 5,-0.2 0.964 126.6 43.0 -64.2 -49.0 25.2 21.5 13.3 462 126 B T H > S+ 0 0 1 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.914 116.8 48.2 -64.4 -40.8 24.7 18.1 14.8 463 127 B G H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.888 111.7 46.8 -67.7 -47.9 28.4 17.2 14.5 464 128 B I H X S+ 0 0 1 -4,-2.7 4,-2.7 -5,-0.3 5,-0.3 0.929 113.5 51.3 -56.5 -44.5 29.8 20.3 16.0 465 129 B T H X S+ 0 0 11 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.937 112.0 45.7 -61.5 -42.8 27.3 20.0 18.8 466 130 B A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.898 112.2 50.6 -68.8 -41.4 28.3 16.4 19.5 467 131 B Y H X>S+ 0 0 4 -4,-2.8 4,-2.7 1,-0.2 5,-0.8 0.912 110.8 49.2 -63.2 -39.4 32.0 17.2 19.4 468 132 B E H X>S+ 0 0 0 -4,-2.7 5,-2.8 1,-0.2 4,-1.0 0.910 112.4 49.3 -64.0 -40.2 31.6 20.0 21.8 469 133 B T H <>S+ 0 0 0 -4,-2.2 5,-2.9 -5,-0.3 6,-0.3 0.941 118.8 36.6 -63.4 -46.4 29.6 17.7 24.1 470 134 B L H <>S+ 0 0 1 -4,-2.6 6,-2.3 3,-0.2 5,-0.5 0.954 130.6 25.6 -74.3 -47.2 32.2 14.9 24.0 471 135 B F H <5S+ 0 0 29 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.1 0.863 131.5 30.1 -91.1 -41.3 35.5 16.8 23.9 472 136 B D T < S- 0 0 95 1,-0.1 3,-1.9 2,-0.0 4,-0.4 -0.822 74.9-151.8 -93.0 113.6 43.2 9.2 22.0 480 144 B R G > S+ 0 0 138 -2,-0.8 3,-1.0 1,-0.3 -1,-0.1 0.750 93.0 55.5 -50.5 -38.2 40.9 6.2 21.7 481 145 B N G > S+ 0 0 144 1,-0.2 3,-1.2 2,-0.2 -1,-0.3 0.794 99.2 61.5 -73.0 -20.9 42.8 4.1 24.1 482 146 B E G < S+ 0 0 122 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.588 99.3 56.4 -83.5 -9.4 42.6 6.7 26.9 483 147 B N G X S+ 0 0 2 -3,-1.0 3,-2.2 -4,-0.4 -1,-0.3 0.312 77.8 139.8-100.6 6.2 38.8 6.4 26.8 484 148 B E T < S+ 0 0 151 -3,-1.2 26,-0.1 1,-0.3 3,-0.1 -0.205 71.5 13.7 -52.0 131.6 39.0 2.6 27.5 485 149 B G T 3 S+ 0 0 56 24,-0.3 2,-0.3 1,-0.3 -1,-0.3 0.371 94.7 130.3 86.0 -6.2 36.3 1.5 29.9 486 150 B K < - 0 0 64 -3,-2.2 25,-2.5 23,-0.3 2,-0.4 -0.620 40.0-159.6 -83.5 142.1 34.3 4.7 29.6 487 151 B T E -p 511 0D 9 -2,-0.3 67,-1.6 23,-0.2 66,-1.1 -0.969 5.0-162.9-124.3 136.2 30.5 4.5 29.0 488 152 B L E -pq 512 554D 0 23,-2.8 25,-2.9 -2,-0.4 2,-0.5 -0.961 6.2-155.4-113.8 133.8 28.2 7.3 27.6 489 153 B L E -pq 513 555D 0 65,-2.5 67,-2.9 -2,-0.4 2,-0.6 -0.958 7.1-164.8-106.3 125.7 24.4 7.1 28.0 490 154 B I E -pq 514 556D 0 23,-3.2 25,-1.0 -2,-0.5 2,-0.6 -0.946 12.2-146.6-109.0 115.2 22.5 9.1 25.4 491 155 B I E S+ q 0 557D 2 65,-3.2 67,-1.6 -2,-0.6 68,-0.2 -0.753 87.8 13.4 -81.8 121.2 18.8 9.7 26.2 492 156 B N S > S- 0 0 42 -2,-0.6 3,-0.7 65,-0.1 6,-0.2 0.984 70.8-176.3 72.4 73.5 17.1 9.6 22.8 493 157 B G T 3 S+ 0 0 0 22,-1.9 9,-0.2 -3,-0.4 23,-0.1 0.676 71.2 68.5 -69.4 -17.0 19.7 8.1 20.4 494 158 B A T 3 S+ 0 0 3 21,-0.5 171,-2.3 4,-0.1 -1,-0.2 0.623 78.5 92.6 -89.1 -12.6 17.5 8.5 17.3 495 159 B G S <> S- 0 0 13 -3,-0.7 4,-2.4 169,-0.2 5,-0.2 -0.082 93.7 -90.9 -69.0 174.8 17.5 12.4 17.0 496 160 B G H > S+ 0 0 17 169,-0.3 4,-1.6 2,-0.2 5,-0.2 0.921 124.8 35.6 -55.9 -51.8 20.0 14.4 15.0 497 161 B V H > S+ 0 0 18 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.924 117.3 54.1 -71.3 -43.6 22.6 15.0 17.7 498 162 B G H > S+ 0 0 0 -6,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.900 106.1 54.2 -51.2 -44.8 22.1 11.6 19.2 499 163 B S H X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.940 116.3 34.5 -62.9 -50.7 22.7 9.9 15.9 500 164 B I H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.873 113.0 58.6 -75.4 -33.7 26.0 11.5 15.2 501 165 B A H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 5,-0.2 0.879 103.0 56.1 -62.6 -35.5 27.2 11.6 18.8 502 166 B T H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.943 109.8 45.2 -58.0 -46.8 26.8 7.8 18.9 503 167 B Q H X S+ 0 0 11 -4,-1.1 4,-2.2 1,-0.2 -2,-0.2 0.900 114.4 47.1 -64.9 -42.5 29.1 7.5 15.9 504 168 B I H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.928 110.9 50.6 -66.2 -47.8 31.7 9.9 17.3 505 169 B A H <>S+ 0 0 0 -4,-2.8 5,-2.6 1,-0.2 -1,-0.2 0.890 111.6 48.9 -59.8 -39.4 31.8 8.3 20.7 506 170 B K H ><5S+ 0 0 58 -4,-1.9 3,-1.6 -5,-0.2 -1,-0.2 0.911 109.1 52.3 -64.3 -45.9 32.3 4.8 19.2 507 171 B A H 3<5S+ 0 0 21 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.826 109.0 51.3 -61.4 -30.6 35.1 6.1 16.9 508 172 B Y T 3<5S- 0 0 26 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.187 125.7 -97.3 -96.9 16.1 36.8 7.6 20.0 509 173 B G T < 5S+ 0 0 17 -3,-1.6 -24,-0.3 1,-0.2 -23,-0.3 0.533 75.3 133.4 92.9 12.1 36.7 4.3 22.0 510 174 B L < - 0 0 3 -5,-2.6 2,-0.4 -6,-0.2 -1,-0.2 -0.523 56.9-118.9 -92.4 157.6 33.6 4.6 24.3 511 175 B R E -p 487 0D 90 -25,-2.5 -23,-2.8 -2,-0.2 2,-0.6 -0.819 34.7-151.4 -84.1 134.5 30.9 2.2 25.0 512 176 B V E -p 488 0D 0 -2,-0.4 19,-2.8 17,-0.2 20,-1.3 -0.949 16.6-175.2-119.6 120.1 27.6 3.8 23.9 513 177 B I E +pr 489 532D 0 -25,-2.9 -23,-3.2 -2,-0.6 2,-0.3 -0.944 14.3 179.1-105.6 124.7 24.2 3.1 25.5 514 178 B T E -pr 490 533D 0 18,-2.5 20,-2.9 -2,-0.5 2,-0.4 -0.776 21.6-129.3-120.3 172.6 21.2 4.8 23.9 515 179 B T E + r 0 534D 0 -25,-1.0 -22,-1.9 -2,-0.3 -21,-0.5 -0.954 31.1 155.9-122.2 138.4 17.5 4.9 24.5 516 180 B A - 0 0 2 18,-2.5 21,-0.1 -2,-0.4 -2,-0.0 -0.933 22.0-163.0-160.4 141.0 14.8 4.3 21.8 517 181 B S + 0 0 21 -2,-0.3 2,-0.3 18,-0.1 18,-0.1 0.116 65.6 53.3-124.6 21.4 11.2 3.1 22.4 518 182 B R S >> S- 0 0 113 1,-0.1 4,-2.9 0, 0.0 3,-0.7 -0.983 84.6-108.2-154.6 150.1 9.9 1.8 19.0 519 183 B N H 3> S+ 0 0 122 -2,-0.3 4,-2.2 1,-0.3 5,-0.2 0.798 117.5 51.6 -47.8 -34.8 11.1 -0.6 16.4 520 184 B E H 3> S+ 0 0 101 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.900 114.5 39.2 -74.3 -41.6 12.0 2.2 14.0 521 185 B T H <> S+ 0 0 12 -3,-0.7 4,-2.2 2,-0.2 5,-0.2 0.809 114.7 56.2 -78.7 -28.9 14.1 4.2 16.4 522 186 B I H X S+ 0 0 38 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.941 108.8 44.7 -66.3 -49.0 15.6 1.1 17.9 523 187 B E H X S+ 0 0 116 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.853 113.0 53.0 -61.2 -35.6 16.9 -0.2 14.6 524 188 B W H X S+ 0 0 27 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.953 109.3 46.3 -67.8 -52.8 18.2 3.3 13.7 525 189 B T H X>S+ 0 0 0 -4,-2.2 5,-2.2 1,-0.2 4,-0.6 0.891 112.1 51.9 -61.9 -34.8 20.2 3.8 16.8 526 190 B K H ><5S+ 0 0 109 -4,-1.9 3,-1.3 1,-0.2 -1,-0.2 0.938 108.1 52.2 -64.3 -41.2 21.6 0.3 16.4 527 191 B K H 3<5S+ 0 0 126 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.857 104.7 56.9 -60.0 -33.2 22.6 1.3 12.8 528 192 B M H 3<5S- 0 0 6 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.656 129.6 -95.8 -74.8 -13.9 24.3 4.3 14.2 529 193 B G T <<5 + 0 0 27 -3,-1.3 -17,-0.2 -4,-0.6 -3,-0.2 0.526 60.9 165.8 113.1 10.6 26.5 2.0 16.4 530 194 B A < - 0 0 16 -5,-2.2 -1,-0.2 1,-0.2 -17,-0.2 -0.322 24.9-157.5 -58.0 138.8 24.8 1.8 19.8 531 195 B D S S+ 0 0 80 -19,-2.8 2,-0.4 1,-0.3 -18,-0.2 0.782 80.5 18.6 -85.3 -35.8 26.2 -1.1 22.0 532 196 B I E -r 513 0D 33 -20,-1.3 -18,-2.5 2,-0.0 2,-0.5 -0.999 68.4-157.0-137.3 134.9 23.1 -1.3 24.2 533 197 B V E -r 514 0D 36 -2,-0.4 2,-0.3 -20,-0.2 -18,-0.2 -0.959 14.3-175.2-117.1 122.1 19.6 0.0 23.5 534 198 B L E -r 515 0D 3 -20,-2.9 -18,-2.5 -2,-0.5 2,-0.7 -0.728 28.0-113.4-107.8 166.1 17.3 0.7 26.5 535 199 B N > - 0 0 39 -2,-0.3 3,-1.4 -20,-0.2 -18,-0.1 -0.852 17.2-163.8-105.5 113.0 13.7 1.8 26.5 536 200 B H T 3 S+ 0 0 37 -2,-0.7 4,-0.2 1,-0.3 -1,-0.1 0.658 84.9 67.5 -73.6 -12.0 13.2 5.3 27.9 537 201 B K T 3 S+ 0 0 144 2,-0.1 2,-0.3 -21,-0.1 -1,-0.3 0.562 102.4 52.6 -82.6 -6.5 9.4 4.8 28.5 538 202 B E S < S- 0 0 122 -3,-1.4 5,-0.1 1,-0.1 -3,-0.0 -0.891 113.1 -63.9-121.4 160.1 10.1 2.2 31.2 539 203 B S > - 0 0 58 -2,-0.3 4,-1.3 1,-0.1 -4,-0.1 -0.077 42.4-163.8 -42.3 117.3 12.4 2.4 34.3 540 204 B L H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.898 87.5 53.2 -71.7 -41.4 15.9 2.9 33.2 541 205 B L H > S+ 0 0 36 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.908 106.6 55.6 -63.4 -36.9 17.6 2.0 36.5 542 206 B N H > S+ 0 0 95 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.909 106.9 49.2 -57.4 -45.0 15.6 -1.2 36.4 543 207 B Q H X S+ 0 0 24 -4,-1.3 4,-2.2 1,-0.2 6,-0.3 0.896 108.2 53.5 -63.9 -40.3 17.0 -2.0 33.1 544 208 B F H X>S+ 0 0 4 -4,-2.3 5,-2.3 2,-0.2 4,-0.8 0.911 112.5 45.4 -55.4 -46.2 20.5 -1.3 34.4 545 209 B K H ><5S+ 0 0 146 -4,-2.5 3,-0.8 3,-0.2 -2,-0.2 0.962 112.7 49.3 -65.5 -48.9 19.9 -3.7 37.2 546 210 B T H 3<5S+ 0 0 121 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.882 118.4 39.0 -54.2 -39.7 18.4 -6.4 35.0 547 211 B Q H 3<5S- 0 0 104 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.459 110.6-113.3-100.1 1.4 21.2 -6.3 32.5 548 212 B G T <<5 + 0 0 63 -3,-0.8 2,-0.5 -4,-0.8 -3,-0.2 0.801 55.6 164.5 72.8 30.1 24.1 -5.8 34.8 549 213 B I < - 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