==== 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 OXIDOREDUCTASE 07-JUN-00 1F4J . COMPND 2 MOLECULE: CATALASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.K.SAFO,F.N.MUSAYEV,S.H.WU,D.J.ABRAHAM,T.P.KO . 1918 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59133.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1226 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 323 16.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.2 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 . 1 0.1 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 . 108 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 229 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 450 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 1.3 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 4 1 3 3 9 0 12 4 0 0 5 6 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 23 7 8 4 0 12 0 8 4 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 1 3 0 0 0 0 0 0 4 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 24 A A 0 0 114 0, 0.0 2,-0.3 0, 0.0 1347,-0.1 0.000 360.0 360.0 360.0 172.1 14.2 96.4 28.3 2 25 A D - 0 0 53 1345,-0.4 1348,-3.4 1,-0.1 2,-0.1 -0.699 360.0-102.2 -93.2 141.2 16.6 96.2 31.3 3 26 A V B -a 1350 0A 44 -2,-0.3 2,-0.4 1346,-0.2 1348,-0.2 -0.366 36.3-123.5 -60.7 132.3 16.7 98.9 34.0 4 27 A L - 0 0 0 1346,-2.7 8,-3.8 8,-0.3 1348,-0.3 -0.661 39.4-179.2 -80.4 126.1 19.6 101.2 33.5 5 28 A T B -B 11 0B 8 1316,-2.8 2,-0.2 -2,-0.4 1073,-0.0 -0.698 31.8-110.4-121.8 175.1 21.8 101.3 36.6 6 29 A T > - 0 0 10 4,-2.0 3,-1.8 -2,-0.2 1315,-0.2 -0.418 54.7 -91.9 -88.0 175.4 24.9 102.9 38.0 7 30 A G T 3 S+ 0 0 10 1,-0.3 1313,-0.1 -2,-0.2 -1,-0.1 0.805 127.7 60.8 -61.8 -27.1 27.8 100.5 38.4 8 31 A A T 3 S- 0 0 2 2,-0.1 1071,-2.3 1306,-0.1 -1,-0.3 0.441 123.2-102.7 -80.4 -0.0 26.7 99.8 42.0 9 32 A G S < S+ 0 0 2 -3,-1.8 1310,-0.3 1,-0.3 -2,-0.1 0.614 73.0 145.0 90.4 12.3 23.4 98.5 40.7 10 33 A N - 0 0 11 1308,-0.1 -4,-2.0 1068,-0.1 -1,-0.3 -0.728 54.3-111.0 -87.6 131.0 21.3 101.5 41.6 11 34 A P B -B 5 0B 13 0, 0.0 2,-0.6 0, 0.0 -6,-0.3 -0.329 25.9-136.1 -61.6 134.7 18.5 102.3 39.1 12 35 A V - 0 0 1 -8,-3.8 1340,-1.4 1338,-0.2 -8,-0.3 -0.847 15.1-169.5 -98.8 122.6 18.9 105.4 37.0 13 36 A G S S+ 0 0 3 -2,-0.6 2,-0.3 1342,-0.5 1343,-0.2 0.877 79.2 2.5 -75.5 -40.2 15.9 107.7 36.7 14 37 A D + 0 0 25 1341,-0.1 -1,-0.3 3,-0.1 3,-0.2 -0.880 55.8 172.6-152.1 111.7 17.2 110.0 34.0 15 38 A K S S+ 0 0 6 -2,-0.3 3,-0.1 -3,-0.2 1327,-0.1 -0.099 74.3 68.7-111.1 34.4 20.6 109.5 32.4 16 39 A L S S+ 0 0 31 1,-0.3 2,-0.4 1563,-0.0 -1,-0.1 0.399 97.5 45.7-126.9 -4.6 20.1 112.2 29.7 17 40 A N S S- 0 0 6 -3,-0.2 -1,-0.3 1561,-0.1 2,-0.2 -0.992 75.9-134.0-145.0 133.7 20.1 115.3 31.9 18 41 A V - 0 0 0 -2,-0.4 1833,-0.7 1833,-0.2 2,-0.5 -0.527 31.6 -98.5 -89.3 153.8 22.5 116.3 34.6 19 42 A I E +C 1850 0C 1 9,-0.2 9,-2.5 1831,-0.2 2,-0.3 -0.614 52.5 167.6 -75.8 120.3 21.4 117.7 38.1 20 43 A T E -CD1849 27C 0 1829,-1.6 1829,-1.8 -2,-0.5 2,-1.4 -0.893 46.6-102.0-131.8 159.4 21.7 121.4 38.1 21 44 A V E S-C 1848 0C 2 5,-2.0 1827,-0.2 -2,-0.3 3,-0.1 -0.676 96.1 -26.7 -83.3 94.1 20.5 124.2 40.4 22 45 A G S > S- 0 0 0 1825,-2.1 3,-1.8 -2,-1.4 1824,-0.2 0.083 94.6 -68.7 81.9 161.1 17.6 125.5 38.4 23 46 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.2 0, 0.0 1823,-0.1 0.815 137.6 33.1 -57.0 -29.7 17.3 125.2 34.6 24 47 A R T 3 S+ 0 0 110 1821,-0.4 -2,-0.1 -3,-0.1 1822,-0.1 0.064 101.7 102.2-115.8 27.6 20.1 127.6 34.1 25 48 A G S < S- 0 0 1 -3,-1.8 -3,-0.1 1,-0.2 1740,-0.0 -0.400 72.8 -78.8-103.5-178.8 22.3 126.9 37.1 26 49 A P - 0 0 0 0, 0.0 -5,-2.0 0, 0.0 2,-0.2 -0.201 51.4 -86.4 -74.3 167.8 25.6 125.0 37.7 27 50 A L B -D 20 0C 0 -7,-0.2 481,-1.9 1740,-0.1 482,-0.5 -0.515 39.2-133.4 -79.0 139.5 26.2 121.2 38.1 28 51 A L B > -F 507 0D 1 -9,-2.5 3,-1.3 479,-0.2 479,-0.2 -0.692 9.3-140.7-101.0 146.0 25.8 119.4 41.4 29 52 A V T 3 S+ 0 0 13 477,-2.2 478,-0.1 -2,-0.3 6,-0.1 0.724 99.6 69.8 -71.0 -21.7 28.1 116.9 43.1 30 53 A Q T 3 S+ 0 0 40 476,-0.4 2,-1.8 1,-0.2 -1,-0.3 0.425 70.0 97.3 -79.1 5.9 25.1 114.8 44.3 31 54 A D <> + 0 0 0 -3,-1.3 4,-1.8 1,-0.2 -1,-0.2 -0.634 47.2 160.1 -89.4 73.8 24.6 113.9 40.7 32 55 A V H > + 0 0 32 -2,-1.8 4,-3.1 1,-0.2 5,-0.2 0.745 64.4 66.7 -68.1 -27.5 26.5 110.7 41.4 33 56 A V H > S+ 0 0 18 -3,-0.3 4,-2.2 2,-0.2 5,-0.2 0.947 105.5 43.2 -59.5 -46.7 24.9 109.1 38.3 34 57 A F H > S+ 0 0 2 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.962 116.1 45.5 -62.3 -55.1 26.9 111.5 36.2 35 58 A T H X S+ 0 0 19 -4,-1.8 4,-3.7 1,-0.2 5,-0.3 0.925 112.0 53.1 -56.3 -47.6 30.2 111.2 38.1 36 59 A D H X S+ 0 0 22 -4,-3.1 4,-1.5 1,-0.2 -1,-0.2 0.925 114.8 39.4 -55.1 -50.6 29.9 107.4 38.2 37 60 A E H X S+ 0 0 7 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.921 118.9 47.8 -68.3 -40.1 29.5 107.1 34.4 38 61 A M H X S+ 0 0 7 -4,-3.2 4,-2.4 -5,-0.2 -2,-0.2 0.911 107.3 54.8 -67.2 -43.2 32.0 109.8 33.7 39 62 A A H < S+ 0 0 0 -4,-3.7 4,-0.3 -5,-0.2 -1,-0.2 0.893 111.7 45.8 -57.9 -40.6 34.7 108.5 36.0 40 63 A H H >< S+ 0 0 24 -4,-1.5 3,-2.3 -5,-0.3 4,-0.3 0.956 109.8 51.6 -68.5 -49.5 34.4 105.1 34.2 41 64 A F H >< S+ 0 0 5 -4,-2.4 3,-1.4 1,-0.3 4,-0.3 0.878 104.9 61.5 -51.5 -38.2 34.5 106.6 30.7 42 65 A D T 3< S+ 0 0 5 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.603 109.0 40.2 -64.0 -15.8 37.6 108.5 32.0 43 66 A R T < S+ 0 0 8 -3,-2.3 -1,-0.3 -4,-0.3 -2,-0.2 0.181 75.8 113.4-120.9 16.7 39.5 105.2 32.6 44 67 A E < + 0 0 6 -3,-1.4 1283,-1.9 -4,-0.3 2,-0.2 0.864 63.4 82.1 -57.7 -34.0 38.4 103.1 29.6 45 68 A R + 0 0 39 -4,-0.3 1447,-0.1 1281,-0.1 3,-0.0 -0.507 50.1 176.1 -85.2 140.3 42.0 103.1 28.2 46 69 A I - 0 0 18 -2,-0.2 1444,-0.4 1281,-0.1 1442,-0.1 -0.826 49.0 -77.2-124.7 163.7 44.9 100.9 29.2 47 70 A P - 0 0 16 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.399 47.1-129.2 -65.3 139.6 48.4 100.9 27.6 48 71 A E - 0 0 23 1440,-0.4 1439,-0.1 1,-0.2 5,-0.1 -0.443 44.0 -72.7 -80.9 165.1 48.4 99.2 24.2 49 72 A R - 0 0 22 4,-0.2 4,-0.2 1,-0.1 -1,-0.2 -0.182 36.9-125.0 -55.9 147.1 51.1 96.6 23.6 50 73 A V S S+ 0 0 12 1434,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.806 97.2 12.3 -66.7 -26.8 54.6 97.9 23.1 51 74 A V S S+ 0 0 21 1,-0.1 43,-0.2 2,-0.0 -1,-0.1 -0.962 125.8 30.6-143.9 157.0 54.7 96.0 19.8 52 75 A H S S+ 0 0 37 41,-1.9 41,-0.2 -2,-0.3 -3,-0.1 0.809 71.3 153.7 62.2 32.1 52.1 94.3 17.7 53 76 A A + 0 0 2 40,-0.5 2,-0.7 42,-0.5 -4,-0.2 0.861 50.8 70.6 -59.8 -41.8 49.6 96.8 19.1 54 77 A K S S+ 0 0 3 41,-0.7 38,-1.7 46,-0.1 2,-0.3 -0.706 75.9 158.6 -83.1 116.3 47.2 96.7 16.1 55 78 A G E -G 91 0E 2 -2,-0.7 2,-0.3 36,-0.2 36,-0.2 -0.869 40.1-151.8-140.8 172.8 45.4 93.3 16.2 56 79 A A E -G 90 0E 3 34,-2.1 34,-3.0 -2,-0.3 2,-0.3 -0.996 24.3-161.3-139.6 133.2 42.6 91.0 15.3 57 80 A G E +G 89 0E 8 -2,-0.3 2,-0.3 32,-0.2 32,-0.2 -0.878 14.7 161.9-125.7 157.6 41.4 88.0 17.4 58 81 A A E -G 88 0E 0 30,-2.2 30,-2.5 -2,-0.3 2,-0.3 -0.901 22.2-130.1-153.2 178.2 39.5 84.8 17.2 59 82 A F E +GH 87 297E 10 238,-2.0 238,-1.9 -2,-0.3 237,-1.3 -0.976 38.0 116.7-140.0 153.1 38.8 81.5 18.8 60 83 A G E -GH 86 295E 8 26,-2.4 26,-2.2 -2,-0.3 2,-0.3 -0.722 48.1 -82.2-174.1-134.7 38.7 77.8 17.9 61 84 A Y E -GH 85 294E 71 233,-2.5 233,-2.4 24,-0.3 2,-0.4 -0.979 16.3-126.9-157.7 165.2 40.5 74.6 18.6 62 85 A F E -GH 84 293E 0 22,-3.1 22,-2.8 -2,-0.3 2,-0.4 -0.912 24.3-164.2-114.6 142.4 43.5 72.4 17.9 63 86 A E E -GH 83 292E 61 229,-2.0 229,-1.6 -2,-0.4 2,-0.4 -0.989 17.8-129.8-133.6 127.1 43.0 68.8 16.9 64 87 A V E + H 0 291E 0 18,-3.0 17,-3.4 -2,-0.4 227,-0.3 -0.600 31.4 166.1 -75.7 128.1 45.6 66.1 16.9 65 88 A T + 0 0 51 225,-2.5 226,-0.2 -2,-0.4 2,-0.2 0.700 62.2 33.9-110.6 -32.6 45.7 64.2 13.6 66 89 A H S S- 0 0 88 224,-2.7 2,-0.6 13,-0.1 15,-0.1 -0.692 83.0-104.4-119.9 174.6 49.0 62.4 13.9 67 90 A D + 0 0 82 -2,-0.2 3,-0.1 1,-0.1 11,-0.1 -0.876 42.3 152.1-105.7 116.0 51.0 60.8 16.6 68 91 A I >> + 0 0 2 -2,-0.6 3,-3.3 9,-0.4 4,-2.2 0.180 36.6 119.4-120.8 14.0 54.1 62.5 17.9 69 92 A T T 34 + 0 0 52 1,-0.3 133,-0.5 8,-0.2 -1,-0.1 0.673 67.7 67.3 -53.8 -17.6 54.0 61.0 21.3 70 93 A K T 34 S+ 0 0 129 1,-0.2 -1,-0.3 -3,-0.1 131,-0.2 0.744 111.2 33.3 -76.6 -19.9 57.4 59.6 20.6 71 94 A Y T <4 S+ 0 0 55 -3,-3.3 2,-0.4 1,-0.3 -2,-0.2 0.763 127.6 29.8-101.3 -33.7 58.8 63.1 20.6 72 95 A S < - 0 0 0 -4,-2.2 129,-0.3 127,-0.1 -1,-0.3 -0.980 44.4-166.2-138.4 134.7 56.6 64.7 23.2 73 96 A K + 0 0 70 127,-2.8 246,-0.2 -2,-0.4 128,-0.1 0.512 50.7 133.6 -86.3 -5.6 54.8 63.7 26.3 74 97 A A > - 0 0 0 126,-0.3 3,-2.3 1,-0.1 4,-0.3 -0.231 60.0-134.1 -50.8 124.4 52.8 66.9 26.3 75 98 A K G > S+ 0 0 74 1,-0.3 3,-2.1 243,-0.3 4,-0.3 0.788 99.9 71.6 -51.4 -37.6 49.1 66.2 26.9 76 99 A V G 3 S+ 0 0 1 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.753 109.0 36.4 -53.7 -22.1 48.0 68.5 24.1 77 100 A F G < S+ 0 0 2 -3,-2.3 -9,-0.4 1,-0.1 -1,-0.3 0.366 84.2 125.3-108.4 0.5 49.4 65.8 21.8 78 101 A E S < S- 0 0 89 -3,-2.1 2,-0.3 -4,-0.3 -2,-0.1 0.681 77.2 -6.3 -29.6 -49.8 48.3 62.9 24.0 79 102 A H S > S- 0 0 95 -4,-0.3 3,-2.1 -3,-0.2 -15,-0.3 -0.995 81.6 -85.4-155.9 151.9 46.4 61.0 21.3 80 103 A I T 3 S+ 0 0 102 -2,-0.3 -15,-0.2 1,-0.3 3,-0.1 -0.336 114.3 25.0 -57.9 134.1 45.1 61.2 17.8 81 104 A G T 3 S+ 0 0 27 -17,-3.4 -1,-0.3 1,-0.3 2,-0.2 0.313 84.5 142.3 93.3 -6.4 41.8 63.1 17.6 82 105 A K < - 0 0 25 -3,-2.1 -18,-3.0 -5,-0.1 2,-0.4 -0.505 36.5-153.5 -71.3 134.1 42.4 65.0 20.9 83 106 A K E -G 63 0E 124 -20,-0.2 -20,-0.2 -2,-0.2 -6,-0.0 -0.912 12.9-172.5-115.7 135.7 41.0 68.5 20.7 84 107 A T E -G 62 0E 1 -22,-2.8 -22,-3.1 -2,-0.4 31,-0.1 -0.989 27.5-118.2-128.0 131.4 42.1 71.6 22.6 85 108 A P E -G 61 0E 36 0, 0.0 29,-2.4 0, 0.0 2,-0.3 -0.360 36.1-163.9 -63.7 140.5 40.4 75.0 22.6 86 109 A I E -GI 60 113E 3 -26,-2.2 -26,-2.4 27,-0.2 2,-0.4 -0.916 19.0-156.4-130.7 157.8 42.5 77.8 21.3 87 110 A A E -GI 59 112E 0 25,-1.7 25,-3.3 -2,-0.3 2,-0.3 -0.973 21.0-171.3-125.9 138.0 42.6 81.6 21.3 88 111 A V E -GI 58 111E 5 -30,-2.5 -30,-2.2 -2,-0.4 2,-0.4 -0.976 14.6-171.0-136.0 149.7 44.5 83.5 18.5 89 112 A R E -GI 57 110E 11 21,-1.6 21,-2.2 -2,-0.3 -32,-0.2 -0.967 6.5-165.4-142.2 122.2 45.5 87.1 17.8 90 113 A F E +GI 56 109E 0 -34,-3.0 -34,-2.1 -2,-0.4 2,-0.3 -0.626 23.3 156.2 -97.6 164.5 47.0 88.2 14.5 91 114 A S E -GI 55 108E 4 17,-1.2 17,-1.9 -36,-0.2 -36,-0.2 -0.985 40.3-112.3-178.4 166.1 48.7 91.6 14.2 92 115 A T - 0 0 4 -38,-1.7 16,-0.2 -2,-0.3 15,-0.1 -0.242 30.2-136.0 -95.5-168.4 51.1 94.0 12.6 93 116 A V S S+ 0 0 13 13,-0.3 -41,-1.9 -41,-0.2 -40,-0.5 0.786 81.5 30.2-119.4 -59.4 54.3 95.2 14.4 94 117 A A S S+ 0 0 6 -43,-0.2 11,-0.1 -42,-0.1 51,-0.0 0.812 94.1 93.4 -78.5 -32.9 55.3 98.8 14.3 95 118 A G - 0 0 9 5,-0.1 -41,-0.7 -41,-0.1 -42,-0.5 -0.253 68.7-132.5 -64.6 146.6 51.9 100.5 14.0 96 119 A E > - 0 0 18 -43,-0.2 3,-2.8 -44,-0.1 -1,-0.1 -0.358 48.7 -66.5 -89.7 178.4 50.1 101.7 17.1 97 120 A S T 3 S+ 0 0 21 1,-0.3 -42,-0.1 -48,-0.1 1441,-0.1 0.582 131.6 43.2 -40.4 -24.1 46.4 101.0 17.8 98 121 A G T 3 S+ 0 0 7 1443,-0.1 -1,-0.3 1439,-0.1 1444,-0.2 0.375 87.7 117.7-109.9 9.9 45.0 103.1 15.0 99 122 A S S < S- 0 0 16 -3,-2.8 2,-0.2 1,-0.1 1442,-0.1 -0.089 70.1 -86.5 -72.2 171.3 47.3 102.1 12.1 100 123 A A - 0 0 17 1440,-0.2 3,-0.2 1,-0.1 136,-0.2 -0.534 21.9-148.9 -81.2 143.5 46.5 100.4 8.8 101 124 A D S S+ 0 0 9 134,-1.9 2,-1.9 133,-0.2 -1,-0.1 0.914 88.6 65.4 -75.2 -46.1 46.4 96.6 8.6 102 125 A T S S+ 0 0 5 132,-0.3 129,-0.3 125,-0.2 2,-0.3 -0.417 78.5 110.8 -82.2 68.5 47.5 96.4 4.9 103 126 A V S S- 0 0 51 -2,-1.9 2,-0.3 -3,-0.2 121,-0.0 -0.877 78.7 -83.8-132.3 161.8 51.1 97.8 5.3 104 127 A R S S+ 0 0 61 -2,-0.3 78,-0.2 78,-0.1 77,-0.1 -0.553 78.1 105.9 -71.8 130.8 54.5 96.1 5.0 105 128 A D S S- 0 0 12 76,-1.4 -2,-0.0 -2,-0.3 0, 0.0 -0.903 72.4 -85.3 170.9 160.0 55.5 94.5 8.2 106 129 A P - 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0 0 26 -1833,-0.7 -1833,-0.2 -2,-0.4 2,-0.1 -0.914 18.6-123.5-108.6 119.7 16.1 119.8 33.7 1852 433 D N + 0 0 101 -2,-0.6 3,-0.2 1,-0.1 -1835,-0.1 -0.377 27.9 178.7 -62.7 126.9 15.3 118.5 30.3 1853 434 D T > + 0 0 11 -2,-0.1 3,-1.1 1,-0.1 -1,-0.1 0.172 56.2 99.8-113.4 15.3 17.0 120.6 27.6 1854 435 D A T 3 S+ 0 0 46 1,-0.2 -1,-0.1 -245,-0.0 -2,-0.1 0.645 74.1 69.2 -74.1 -14.0 15.8 118.6 24.6 1855 436 D N T 3 S+ 0 0 152 -3,-0.2 -1,-0.2 2,-0.0 3,-0.1 0.672 75.6 109.9 -75.6 -20.7 13.2 121.4 24.2 1856 437 D D S < S- 0 0 38 -3,-1.1 -143,-0.0 1,-0.1 -3,-0.0 -0.223 86.4 -84.4 -60.2 148.7 15.9 123.9 23.2 1857 438 D D + 0 0 46 1,-0.1 -1,-0.1 2,-0.1 -2,-0.0 -0.190 43.8 178.9 -52.7 143.0 15.9 125.1 19.6 1858 439 D N S S+ 0 0 17 -3,-0.1 -245,-0.2 45,-0.1 -1,-0.1 0.435 72.5 30.3-123.8 -8.3 17.8 122.7 17.3 1859 440 D V S > S+ 0 0 24 3,-0.1 4,-3.0 -247,-0.1 5,-0.3 0.738 85.8 86.3-125.9 -33.3 17.4 124.4 13.9 1860 441 D T H > S+ 0 0 72 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.888 102.9 35.7 -40.3 -62.1 17.1 128.2 13.9 1861 442 D Q H > S+ 0 0 17 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.816 114.9 59.8 -66.2 -28.3 20.9 129.0 13.8 1862 443 D V H > S+ 0 0 2 2,-0.2 4,-3.0 -3,-0.2 -2,-0.2 0.929 104.2 47.6 -66.4 -45.1 21.4 125.9 11.6 1863 444 D R H X S+ 0 0 121 -4,-3.0 4,-3.1 1,-0.2 5,-0.5 0.915 109.2 56.5 -60.7 -40.1 19.2 127.2 8.9 1864 445 D A H X>S+ 0 0 39 -4,-1.7 4,-2.5 -5,-0.3 5,-1.1 0.951 111.3 42.3 -53.5 -52.3 21.1 130.5 9.3 1865 446 D F H <>S+ 0 0 27 -4,-2.4 5,-1.0 3,-0.2 -2,-0.2 0.905 115.7 49.9 -61.7 -44.6 24.3 128.7 8.6 1866 447 D Y H <5S+ 0 0 16 -4,-3.0 4,-0.2 3,-0.2 -2,-0.2 0.967 122.8 27.3 -60.5 -55.7 22.9 126.6 5.8 1867 448 D V H <5S+ 0 0 41 -4,-3.1 -2,-0.2 -5,-0.1 -3,-0.2 0.840 133.6 23.7 -80.4 -36.7 21.3 129.4 3.8 1868 449 D N T <5S+ 0 0 117 -4,-2.5 -3,-0.2 -5,-0.5 -4,-0.1 0.930 120.1 45.0 -94.2 -66.0 23.4 132.5 4.6 1869 450 D V T > - 0 0 85 -2,-0.3 4,-1.9 1,-0.0 3,-0.7 -0.683 40.4 -87.9-104.6 161.7 27.1 129.4 -0.8 1872 453 D E H 3> S+ 0 0 133 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.795 123.1 57.0 -31.6 -60.8 25.7 126.9 -3.3 1873 454 D E H 3> S+ 0 0 121 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.915 112.6 41.7 -36.7 -63.5 29.1 125.1 -3.9 1874 455 D Q H <> S+ 0 0 45 -3,-0.7 4,-3.3 1,-0.2 -1,-0.2 0.905 108.3 56.5 -56.4 -52.3 29.4 124.4 -0.2 1875 456 D R H X S+ 0 0 42 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.884 111.2 47.9 -50.9 -38.8 25.8 123.4 0.5 1876 457 D K H X S+ 0 0 100 -4,-2.4 4,-3.0 -3,-0.3 -2,-0.2 0.969 112.1 44.9 -67.4 -54.6 26.2 120.8 -2.3 1877 458 D R H X S+ 0 0 84 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.848 112.4 57.7 -58.3 -30.9 29.5 119.4 -1.0 1878 459 D L H X S+ 0 0 1 -4,-3.3 4,-2.1 -5,-0.2 -1,-0.2 0.953 108.8 41.5 -63.6 -50.5 27.8 119.5 2.4 1879 460 D C H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.880 116.4 51.2 -65.3 -36.0 25.0 117.3 1.3 1880 461 D E H X S+ 0 0 69 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.915 108.2 50.7 -67.8 -42.0 27.4 115.1 -0.6 1881 462 D N H X S+ 0 0 29 -4,-2.9 4,-0.7 -262,-0.3 -2,-0.2 0.919 113.5 45.3 -61.2 -44.8 29.7 114.6 2.3 1882 463 D I H >X S+ 0 0 0 -4,-2.1 4,-3.6 1,-0.2 3,-1.5 0.964 112.4 49.7 -64.3 -52.5 26.8 113.6 4.6 1883 464 D A H 3X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.3 -1,-0.2 0.838 103.8 60.0 -56.6 -36.1 25.2 111.2 2.2 1884 465 D G H 3< S+ 0 0 25 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.763 118.0 31.0 -64.9 -23.0 28.5 109.5 1.5 1885 466 D H H X< S+ 0 0 69 -3,-1.5 3,-1.2 -4,-0.7 -2,-0.2 0.825 119.2 50.2-100.5 -45.7 28.7 108.6 5.2 1886 467 D L H >< S+ 0 0 0 -4,-3.6 3,-1.7 1,-0.2 -3,-0.2 0.755 94.8 76.2 -66.4 -22.3 25.0 108.3 6.1 1887 468 D K T 3< S+ 0 0 65 -4,-2.0 -1,-0.2 -5,-0.3 -3,-0.1 0.817 90.2 57.5 -57.4 -31.4 24.5 105.9 3.1 1888 469 D D T < S+ 0 0 88 -3,-1.2 -1,-0.3 -5,-0.1 -289,-0.2 0.576 89.1 93.1 -78.8 -9.5 26.2 103.2 5.1 1889 470 D A S < S- 0 0 5 -3,-1.7 -290,-0.1 -4,-0.2 5,-0.1 -0.441 93.6 -83.3 -83.3 158.9 23.7 103.3 8.0 1890 471 D Q >> - 0 0 90 1,-0.1 4,-2.1 -2,-0.1 3,-1.2 -0.304 44.3-115.9 -57.6 143.2 20.6 101.1 8.2 1891 472 D I H 3> S+ 0 0 96 1,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.772 113.2 57.8 -55.3 -32.1 17.8 102.7 6.2 1892 473 D F H 3> S+ 0 0 89 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.830 109.8 47.0 -69.1 -28.5 15.5 103.3 9.2 1893 474 D I H <> S+ 0 0 0 -3,-1.2 4,-2.4 2,-0.2 5,-0.2 0.902 106.1 57.6 -75.9 -43.2 18.3 105.4 10.6 1894 475 D Q H X S+ 0 0 1 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.891 108.3 48.4 -53.2 -40.3 18.8 107.2 7.3 1895 476 D K H X S+ 0 0 70 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.924 108.0 51.3 -68.0 -45.7 15.2 108.2 7.5 1896 477 D K H X S+ 0 0 91 -4,-1.6 4,-0.9 1,-0.2 -1,-0.2 0.878 114.5 46.4 -58.7 -37.1 15.3 109.5 11.1 1897 478 D A H >X S+ 0 0 2 -4,-2.4 4,-2.1 2,-0.2 3,-0.6 0.925 109.9 51.0 -72.5 -46.1 18.4 111.6 10.1 1898 479 D V H 3X S+ 0 0 13 -4,-2.6 4,-2.0 1,-0.3 5,-0.2 0.929 104.0 59.2 -58.9 -43.2 16.8 112.9 6.9 1899 480 D K H 3X S+ 0 0 143 -4,-2.7 4,-1.4 1,-0.2 -1,-0.3 0.869 107.2 48.6 -52.9 -35.6 13.8 114.0 8.9 1900 481 D N H S+ 0 0 87 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.917 109.8 49.3 -60.0 -38.5 13.3 121.1 3.4 1907 488 D D H > S+ 0 0 97 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.842 106.0 59.8 -67.3 -30.8 15.9 121.3 0.5 1908 489 D Y H > S+ 0 0 0 -7,-0.2 4,-1.3 2,-0.2 -6,-0.2 0.971 112.2 35.9 -60.7 -55.7 18.5 120.3 3.0 1909 490 D G H X S+ 0 0 0 -4,-1.9 4,-2.2 -8,-0.7 -2,-0.2 0.932 117.8 51.3 -65.3 -46.7 16.9 117.0 3.9 1910 491 D S H X S+ 0 0 66 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.823 106.1 51.8 -64.9 -34.0 15.5 116.2 0.4 1911 492 D H H X S+ 0 0 72 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.922 110.8 50.4 -69.0 -39.2 18.8 116.7 -1.5 1912 493 D I H X S+ 0 0 0 -4,-1.3 4,-3.2 -5,-0.3 -2,-0.2 0.937 110.2 49.1 -60.8 -45.2 20.5 114.3 0.9 1913 494 D Q H X S+ 0 0 34 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.879 107.4 56.1 -61.6 -35.9 17.7 111.8 0.4 1914 495 D A H X S+ 0 0 45 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.934 111.3 43.1 -60.9 -44.4 18.1 112.3 -3.3 1915 496 D L H X S+ 0 0 16 -4,-2.2 4,-2.0 1,-0.2 3,-0.4 0.925 112.2 53.2 -66.5 -45.5 21.8 111.3 -2.9 1916 497 D L H X S+ 0 0 0 -4,-3.2 4,-3.7 1,-0.2 5,-0.2 0.917 102.1 59.1 -56.1 -46.9 20.9 108.4 -0.6 1917 498 D D H < S+ 0 0 90 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.878 105.6 49.7 -51.2 -41.1 18.5 106.9 -3.0 1918 499 D K H >< S+ 0 0 153 -4,-1.1 3,-2.2 -3,-0.4 -1,-0.2 0.988 114.1 44.1 -61.3 -58.3 21.3 106.6 -5.6 1919 500 D Y H 3< S+ 0 0 111 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.940 104.2 62.3 -51.2 -54.0 23.6 105.0 -3.1 1920 501 D N T 3< 0 0 67 -4,-3.7 -1,-0.3 -5,-0.1 -2,-0.2 0.531 360.0 360.0 -54.8 0.2 20.8 102.7 -1.8 1921 502 D A < 0 0 119 -3,-2.2 0, 0.0 -5,-0.2 0, 0.0 -0.939 360.0 360.0-117.2 360.0 20.8 101.3 -5.3