==== 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 28-FEB-04 1SI8 . COMPND 2 MOLECULE: CATALASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR K.O.HAKANSSON,M.BRUGNA,L.TASSE . 1896 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 60990.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1235 65.1 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 . 322 17.0 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 . 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 . 129 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 211 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 451 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.1 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 11 0 0 0 8 8 4 8 4 0 4 4 0 4 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 . 24 10 4 4 0 12 0 4 8 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 2 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 4 A Q 0 0 163 0, 0.0 1337,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -17.9 80.0 50.6 43.2 2 5 A H B -a 1338 0A 105 1335,-0.2 1307,-0.3 1338,-0.0 2,-0.2 -0.856 360.0-121.1 -97.9 131.0 82.9 48.8 41.7 3 6 A L - 0 0 3 1335,-2.7 8,-3.0 -2,-0.5 2,-0.3 -0.518 40.6-179.1 -70.0 133.0 83.1 48.9 37.8 4 7 A T B -B 10 0B 8 1305,-2.2 2,-0.1 6,-0.3 1304,-0.1 -0.796 28.4-109.1-129.7 171.7 83.0 45.4 36.3 5 8 A T > - 0 0 13 4,-2.4 3,-1.6 -2,-0.3 1304,-0.2 -0.270 53.3 -88.0 -85.3-176.8 83.1 43.6 33.0 6 9 A S T 3 S+ 0 0 15 1,-0.3 1298,-0.3 2,-0.1 -1,-0.1 0.612 131.1 54.1 -70.8 -11.0 80.0 41.9 31.7 7 10 A Q T 3 S- 0 0 5 2,-0.1 1061,-3.1 1296,-0.1 -1,-0.3 0.219 122.9-103.5-105.9 12.7 81.0 38.8 33.6 8 11 A G S < S+ 0 0 3 -3,-1.6 -2,-0.1 1,-0.3 1295,-0.0 0.557 73.6 140.2 81.5 8.5 81.2 40.6 36.9 9 12 A S - 0 0 15 1059,-0.1 -4,-2.4 1,-0.1 -1,-0.3 -0.685 57.5-106.3 -85.1 136.2 85.0 40.8 37.1 10 13 A P B -B 4 0B 24 0, 0.0 2,-0.6 0, 0.0 -6,-0.3 -0.274 23.8-129.7 -64.3 145.9 86.3 44.2 38.5 11 14 A V - 0 0 6 -8,-3.0 1329,-3.0 1327,-0.2 -8,-0.2 -0.852 15.9-167.9 -97.7 123.2 87.9 46.7 36.2 12 15 A G S S+ 0 0 10 -2,-0.6 2,-0.4 1331,-0.3 1332,-0.3 0.879 75.4 17.2 -78.7 -40.8 91.2 48.0 37.4 13 16 A D + 0 0 18 1330,-0.1 -1,-0.3 1326,-0.1 5,-0.1 -0.947 51.9 171.4-140.2 116.9 91.7 51.0 35.0 14 17 A N S S+ 0 0 1 -2,-0.4 3,-0.1 -3,-0.2 1315,-0.1 0.170 82.1 52.4-106.2 13.6 88.9 52.6 33.0 15 18 A Q S S+ 0 0 43 1,-0.3 2,-0.4 1546,-0.0 1546,-0.2 0.646 105.6 47.9-118.1 -31.3 91.0 55.5 31.8 16 19 A N S S- 0 0 24 1544,-0.1 -1,-0.3 1543,-0.1 2,-0.1 -0.953 71.2-134.2-123.7 135.0 94.1 53.9 30.3 17 20 A S - 0 0 0 -2,-0.4 1815,-0.5 1815,-0.1 2,-0.3 -0.430 39.7 -94.3 -76.5 153.5 94.5 51.0 27.9 18 21 A L E -C 1831 0C 8 9,-0.2 9,-2.3 1813,-0.2 2,-0.3 -0.543 54.4-176.8 -69.5 130.6 97.1 48.3 28.6 19 22 A T E -CD1830 26C 0 1811,-2.9 1811,-2.4 -2,-0.3 2,-1.8 -0.939 37.2-117.8-135.1 149.1 100.2 49.2 26.8 20 23 A A E S-C 1829 0C 0 5,-2.3 1806,-0.5 -2,-0.3 1809,-0.3 -0.589 93.8 -25.0 -84.9 79.5 103.7 47.7 26.2 21 24 A G S > S- 0 0 1 -2,-1.8 3,-2.4 1807,-1.3 1806,-0.2 0.037 96.3 -66.7 94.4 153.0 105.6 50.5 27.9 22 25 A E T 3 S+ 0 0 84 1,-0.3 -1,-0.2 1804,-0.1 1810,-0.1 0.819 137.8 22.5 -41.8 -48.1 104.6 54.1 28.4 23 26 A F T 3 S+ 0 0 42 1803,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.070 104.0 115.0-110.6 23.6 104.7 54.9 24.7 24 27 A G S < S- 0 0 7 -3,-2.4 -3,-0.2 1,-0.2 1801,-0.1 -0.339 72.8 -76.4 -88.9 173.0 104.3 51.4 23.4 25 28 A P - 0 0 0 0, 0.0 -5,-2.3 0, 0.0 2,-0.2 -0.223 51.8 -96.4 -66.9 155.7 101.5 49.7 21.4 26 29 A V B -D 19 0C 1 -7,-0.2 477,-2.5 1723,-0.1 478,-0.5 -0.505 41.3-123.4 -74.7 140.4 98.1 48.7 22.9 27 30 A L B > -F 502 0D 0 -9,-2.3 3,-1.5 475,-0.2 475,-0.2 -0.657 3.6-141.2 -92.1 140.4 97.8 45.0 23.9 28 31 A I T 3 S+ 0 0 0 473,-2.3 6,-0.1 -2,-0.3 474,-0.1 0.751 97.7 73.2 -67.5 -22.5 95.2 42.6 22.7 29 32 A Q T 3 + 0 0 17 472,-0.5 2,-2.4 1,-0.2 -1,-0.3 0.461 63.6 101.7 -73.9 2.0 95.1 41.1 26.2 30 33 A D <> + 0 0 15 -3,-1.5 4,-2.0 1,-0.2 3,-0.4 -0.554 51.3 173.2 -82.5 76.6 93.2 44.2 27.5 31 34 A V H > S+ 0 0 37 -2,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.802 70.3 54.9 -58.4 -32.5 90.0 42.1 27.3 32 35 A H H > S+ 0 0 15 2,-0.2 4,-3.2 -3,-0.2 5,-0.3 0.891 104.9 52.5 -70.2 -38.0 87.9 44.8 28.9 33 36 A L H > S+ 0 0 0 -3,-0.4 4,-2.4 2,-0.2 5,-0.3 0.965 113.2 46.2 -58.5 -50.2 89.0 47.5 26.4 34 37 A L H X S+ 0 0 5 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.943 115.1 45.7 -56.1 -52.3 87.9 45.0 23.7 35 38 A E H X S+ 0 0 24 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.918 112.6 49.3 -59.2 -47.6 84.6 44.2 25.4 36 39 A K H X S+ 0 0 12 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.912 116.1 42.9 -60.0 -44.8 83.7 47.8 26.2 37 40 A L H X S+ 0 0 6 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.903 114.1 51.2 -68.4 -41.8 84.4 48.8 22.6 38 41 A A H X S+ 0 0 0 -4,-2.9 4,-0.6 -5,-0.3 -2,-0.2 0.873 111.5 45.6 -66.5 -38.8 82.6 45.8 21.1 39 42 A H H >< S+ 0 0 5 -4,-2.6 3,-0.9 2,-0.2 -1,-0.2 0.892 111.9 52.6 -71.8 -37.8 79.4 46.2 23.1 40 43 A F H >< S+ 0 0 5 -4,-1.8 3,-1.6 -5,-0.3 4,-0.3 0.920 104.8 57.3 -59.6 -43.0 79.4 49.9 22.3 41 44 A N H 3< S+ 0 0 12 -4,-2.4 -1,-0.3 1,-0.3 3,-0.2 0.690 108.2 47.4 -61.6 -19.1 79.8 48.9 18.6 42 45 A R T << S+ 0 0 6 -3,-0.9 1274,-0.5 -4,-0.6 -1,-0.3 0.235 77.9 103.7-110.1 14.4 76.6 46.9 18.9 43 46 A E < + 0 0 5 -3,-1.6 1272,-1.4 1272,-0.2 2,-0.3 0.807 64.0 81.5 -64.2 -33.2 74.3 49.4 20.7 44 47 A R - 0 0 34 -4,-0.3 1272,-0.2 -3,-0.2 1430,-0.1 -0.575 55.3-178.6 -83.4 138.7 72.3 50.3 17.5 45 48 A V - 0 0 21 -2,-0.3 1427,-0.4 1270,-0.1 1425,-0.1 -0.827 44.8 -76.8-123.8 162.9 69.5 48.2 16.3 46 49 A P - 0 0 17 0, 0.0 3,-0.1 0, 0.0 2,-0.1 -0.421 49.9-125.7 -66.2 139.7 67.4 48.8 13.2 47 50 A E - 0 0 10 1423,-0.4 1422,-0.2 1,-0.2 5,-0.1 -0.356 41.2 -77.2 -76.2 162.8 64.8 51.5 13.7 48 51 A R - 0 0 21 4,-0.2 4,-0.3 1,-0.2 -1,-0.2 -0.353 38.9-124.2 -59.6 139.9 61.1 50.9 13.0 49 52 A V S S+ 0 0 17 1417,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.823 97.8 9.2 -57.7 -29.9 60.5 51.0 9.2 50 53 A V S S+ 0 0 18 1,-0.1 43,-0.2 2,-0.0 42,-0.1 -0.945 127.0 33.3-142.2 159.1 57.9 53.6 10.0 51 54 A H + 0 0 34 41,-2.2 41,-0.1 -2,-0.3 -3,-0.1 0.856 68.6 151.1 61.6 35.5 57.1 55.5 13.2 52 55 A A + 0 0 0 42,-0.6 2,-0.8 40,-0.5 -4,-0.2 0.872 53.1 67.9 -65.8 -39.4 60.8 55.4 14.2 53 56 A K S S+ 0 0 1 41,-0.7 38,-1.5 46,-0.1 2,-0.3 -0.745 75.2 136.5 -88.5 107.0 60.7 58.7 16.3 54 57 A G E -G 90 0E 0 -2,-0.8 2,-0.3 36,-0.2 36,-0.2 -0.870 42.6-143.2-146.0 177.5 58.5 58.2 19.4 55 58 A A E -G 89 0E 3 34,-2.2 34,-2.9 -2,-0.3 2,-0.3 -0.968 20.9-162.1-138.9 151.4 57.9 58.6 23.1 56 59 A G E +G 88 0E 6 -2,-0.3 2,-0.3 32,-0.2 32,-0.2 -0.886 10.4 178.2-136.2 167.6 56.3 56.3 25.6 57 60 A A E -G 87 0E 0 30,-1.9 30,-2.6 -2,-0.3 240,-0.2 -0.966 26.6-118.6-165.3 149.4 54.6 56.1 29.0 58 61 A H E +GH 86 296E 18 238,-3.5 238,-1.6 -2,-0.3 237,-1.4 -0.592 45.7 138.8 -89.3 155.3 53.0 53.7 31.3 59 62 A G E -GH 85 294E 6 26,-2.5 26,-2.1 235,-0.3 2,-0.3 -0.855 38.5-102.9-166.3-158.2 49.4 54.1 32.4 60 63 A I E -GH 84 293E 48 233,-2.4 233,-2.8 24,-0.3 2,-0.4 -0.976 11.1-141.9-147.7 157.8 46.0 52.5 33.1 61 64 A F E -GH 83 292E 0 22,-2.1 22,-2.3 -2,-0.3 2,-0.5 -0.989 17.4-165.7-122.7 133.0 42.6 52.1 31.5 62 65 A K E -GH 82 291E 101 229,-2.5 229,-2.6 -2,-0.4 2,-0.3 -0.982 18.6-129.4-124.4 124.0 39.5 52.2 33.7 63 66 A V E + H 0 290E 2 18,-2.2 17,-3.4 -2,-0.5 227,-0.3 -0.519 25.9 174.6 -71.7 130.6 36.1 51.0 32.5 64 67 A S S S+ 0 0 43 225,-2.8 2,-0.4 1,-0.4 226,-0.2 0.666 76.9 27.4-105.4 -28.0 33.3 53.6 33.1 65 68 A Q S S- 0 0 94 224,-2.2 -1,-0.4 13,-0.1 13,-0.1 -0.978 85.7-123.3-138.0 122.2 30.7 51.5 31.2 66 69 A S - 0 0 42 -2,-0.4 3,-0.2 -3,-0.2 11,-0.2 -0.329 15.1-164.0 -61.9 142.8 30.7 47.7 30.9 67 70 A M >> + 0 0 5 9,-2.3 3,-2.6 6,-0.2 4,-2.2 0.164 50.9 121.9-114.3 15.9 30.7 46.5 27.3 68 71 A A T 34 + 0 0 52 9,-0.3 133,-0.5 8,-0.3 -1,-0.1 0.729 67.9 62.6 -51.2 -27.4 29.7 42.9 28.2 69 72 A Q T 34 S+ 0 0 127 -3,-0.2 -1,-0.3 1,-0.2 131,-0.2 0.705 117.1 29.0 -73.8 -16.7 26.6 43.2 26.0 70 73 A Y T <4 S+ 0 0 42 -3,-2.6 2,-0.3 1,-0.3 -2,-0.2 0.676 129.0 17.5-113.2 -28.3 28.8 43.7 23.0 71 74 A T < - 0 0 0 -4,-2.2 -1,-0.3 127,-0.2 129,-0.3 -0.996 51.2-144.1-150.1 143.6 32.0 41.9 23.7 72 75 A K + 0 0 65 127,-2.2 2,-0.1 -2,-0.3 128,-0.1 0.282 52.6 144.7 -87.3 10.4 33.3 39.2 26.0 73 76 A A > - 0 0 0 245,-0.2 3,-1.5 126,-0.2 -6,-0.2 -0.315 47.3-143.8 -52.3 117.5 36.6 41.1 26.2 74 77 A D G > S+ 0 0 39 243,-0.4 3,-1.8 1,-0.3 4,-0.3 0.869 93.3 57.6 -55.8 -43.8 37.7 40.5 29.8 75 78 A F G 3 S+ 0 0 3 1,-0.3 -1,-0.3 2,-0.1 -12,-0.2 0.620 111.6 44.2 -67.6 -8.7 39.3 43.9 30.3 76 79 A L G < S+ 0 0 2 -3,-1.5 -9,-2.3 1,-0.1 -8,-0.3 0.153 85.8 100.5-117.7 18.5 36.0 45.6 29.5 77 80 A S S < S+ 0 0 35 -3,-1.8 -9,-0.3 -11,-0.2 2,-0.3 0.849 79.0 35.3 -75.3 -37.6 33.7 43.4 31.5 78 81 A E S > S- 0 0 129 -4,-0.3 3,-1.6 -12,-0.1 -15,-0.2 -0.895 82.6-104.8-124.2 153.1 33.0 45.4 34.6 79 82 A V T 3 S+ 0 0 101 -2,-0.3 -15,-0.2 1,-0.3 3,-0.1 -0.481 109.5 18.2 -68.9 136.2 32.6 49.0 35.6 80 83 A G T 3 S+ 0 0 32 -17,-3.4 -1,-0.3 1,-0.3 2,-0.1 0.358 86.3 152.6 83.9 -6.8 35.7 50.3 37.3 81 84 A K < - 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0 0 2 -38,-1.5 15,-0.1 -2,-0.3 16,-0.1 -0.268 31.3-130.9 -97.6-169.0 55.4 60.5 13.8 92 95 A V S S+ 0 0 11 13,-0.2 -41,-2.2 -41,-0.1 -40,-0.5 0.816 86.0 28.9-113.4 -57.6 55.5 58.4 10.6 93 96 A A S S+ 0 0 3 -43,-0.2 11,-0.0 -42,-0.1 5,-0.0 0.845 91.5 99.0 -78.3 -39.2 58.2 59.3 8.1 94 97 A G - 0 0 4 5,-0.1 -41,-0.7 -41,-0.1 -42,-0.6 -0.144 64.8-131.6 -57.2 145.2 61.0 60.7 10.2 95 98 A E > - 0 0 15 -43,-0.2 3,-2.0 -44,-0.1 -1,-0.1 -0.208 45.1 -73.3 -83.8-179.6 64.0 58.6 11.3 96 99 A L T 3 S+ 0 0 26 1,-0.3 -42,-0.1 -48,-0.1 -2,-0.1 0.795 132.0 41.3 -46.8 -38.5 65.5 58.3 14.8 97 100 A G T 3 S+ 0 0 6 1426,-0.1 1427,-0.3 1422,-0.1 -1,-0.3 0.460 88.0 118.1 -96.1 4.2 67.0 61.8 14.8 98 101 A S < - 0 0 7 -3,-2.0 1425,-0.2 1425,-0.2 2,-0.1 -0.191 69.5 -97.6 -67.7 159.9 64.1 63.7 13.1 99 102 A S - 0 0 9 1423,-0.3 3,-0.3 1,-0.1 136,-0.2 -0.395 19.4-135.6 -77.7 154.1 62.2 66.6 14.8 100 103 A D S S+ 0 0 0 134,-1.7 2,-2.0 133,-0.2 -1,-0.1 0.914 91.7 70.0 -74.7 -44.4 58.9 66.0 16.5 101 104 A T S S+ 0 0 2 132,-0.3 2,-0.3 125,-0.2 129,-0.2 -0.216 71.2 122.2 -76.9 51.9 57.1 69.1 15.2 102 105 A L S S- 0 0 65 -2,-2.0 2,-0.5 -3,-0.3 125,-0.0 -0.714 73.0 -97.6-107.7 159.6 56.7 68.1 11.5 103 106 A R S S+ 0 0 52 -2,-0.3 78,-0.2 78,-0.1 77,-0.1 -0.666 75.7 111.6 -77.5 122.3 53.5 67.7 9.5 104 107 A D S S- 0 0 12 76,-1.9 2,-0.1 -2,-0.5 -2,-0.0 -0.939 73.0 -84.3 179.0 158.9 52.7 64.0 9.6 105 108 A P - 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0 0 71 -2,-0.2 2,-0.3 -3,-0.1 -467,-0.1 -0.494 30.2-174.1 -78.7 147.4 110.0 47.0 13.5 1823 401 D F E -B 1354 0N 24 -469,-0.5 -469,-3.4 -2,-0.2 2,-0.1 -0.975 28.6 -91.7-140.7 155.1 110.4 49.5 16.3 1824 402 D E E -B 1353 0N 119 -2,-0.3 2,-0.4 -471,-0.3 -471,-0.3 -0.385 28.9-155.9 -73.8 141.5 111.8 49.3 19.8 1825 403 D V - 0 0 7 -473,-3.0 2,-0.3 -2,-0.1 -473,-0.2 -0.912 16.2-171.1-114.9 144.3 109.6 48.6 22.8 1826 404 D E - 0 0 143 -1806,-0.5 -1802,-0.2 -2,-0.4 -1803,-0.1 -0.937 35.3 -1.0-138.6 155.0 110.7 49.6 26.3 1827 405 D G S S- 0 0 33 -2,-0.3 -477,-3.1 -477,-0.2 2,-0.3 -0.358 91.8 -23.7 75.1-148.1 109.8 49.3 30.0 1828 406 D N E - E 01349C 62 -479,-0.3 -1807,-1.3 -2,-0.1 2,-0.3 -0.777 54.8-110.1-110.5 152.1 106.8 47.4 31.5 1829 407 D V E S+CE 201348C 0 -481,-3.9 -481,-0.6 -2,-0.3 2,-0.3 -0.595 70.3 112.4 -70.6 132.9 103.5 46.2 30.2 1830 408 D G E S-C 19 0C 8 -1811,-2.4 -1811,-2.9 -2,-0.3 2,-0.9 -0.995 73.3 -69.7 179.5-176.4 101.0 48.4 32.1 1831 409 D N E -C 18 0C 30 -2,-0.3 2,-0.3 -1813,-0.2 -1813,-0.2 -0.817 53.4-174.7-101.4 93.7 98.4 51.1 32.4 1832 410 D Y - 0 0 61 -2,-0.9 2,-0.2 -1815,-0.5 -1815,-0.1 -0.676 13.9-142.2 -95.3 145.0 100.2 54.3 31.7 1833 411 D S - 0 0 75 -2,-0.3 2,-0.1 -1817,-0.1 3,-0.1 -0.624 19.0-121.7 -98.1 160.4 98.8 57.8 31.9 1834 412 D Y - 0 0 25 -2,-0.2 -1,-0.1 1,-0.2 -139,-0.0 -0.393 39.1 -67.4 -96.2 177.4 99.6 60.6 29.6 1835 413 D N - 0 0 46 -140,-0.2 -1,-0.2 -2,-0.1 0, 0.0 0.097 32.4-135.3 -50.3 163.1 101.0 64.1 30.1 1836 414 D Q + 0 0 164 -3,-0.1 2,-2.0 1,-0.1 3,-0.2 0.193 66.3 121.0-113.2 15.2 99.0 66.8 32.0 1837 415 D D + 0 0 65 1,-0.2 4,-0.2 2,-0.1 -2,-0.1 -0.515 25.6 138.9 -80.2 74.7 99.8 69.5 29.4 1838 416 D H + 0 0 22 -2,-2.0 -243,-0.3 2,-0.1 -1,-0.2 0.490 61.7 48.3 -97.3 -7.0 96.1 70.3 28.6 1839 417 D F S > S+ 0 0 22 -3,-0.2 4,-2.2 2,-0.1 5,-0.2 0.811 85.0 74.4-108.0 -35.4 96.2 74.0 28.4 1840 418 D T H > S+ 0 0 87 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.893 102.1 40.3 -50.1 -55.5 99.1 75.4 26.3 1841 419 D Q H > S+ 0 0 47 -4,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.833 113.7 53.9 -67.8 -31.6 97.8 74.7 22.8 1842 420 D A H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.884 109.9 49.3 -67.9 -35.9 94.2 75.6 23.7 1843 421 D N H X S+ 0 0 44 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.906 107.0 54.3 -68.1 -42.1 95.6 79.0 24.9 1844 422 D A H X S+ 0 0 56 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.919 112.1 44.9 -57.5 -43.9 97.6 79.5 21.7 1845 423 D L H >X S+ 0 0 27 -4,-2.0 4,-1.1 1,-0.2 3,-0.7 0.924 110.3 53.8 -66.3 -45.8 94.4 79.0 19.7 1846 424 D Y H >< S+ 0 0 1 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.895 108.5 50.7 -56.5 -39.7 92.4 81.2 22.0 1847 425 D N H 3< S+ 0 0 89 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.750 107.3 53.6 -71.8 -22.8 95.0 84.0 21.4 1848 426 D L H << S+ 0 0 117 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.629 83.7 103.4 -87.2 -13.6 94.9 83.7 17.6 1849 427 D L S << S- 0 0 10 -4,-1.1 5,-0.1 -3,-0.5 -3,-0.0 -0.520 77.1-118.1 -72.7 130.3 91.1 84.1 17.3 1850 428 D P >> - 0 0 59 0, 0.0 4,-2.1 0, 0.0 3,-1.1 -0.324 32.2-102.7 -64.8 151.0 90.0 87.5 16.1 1851 429 D S H 3> S+ 0 0 91 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.823 120.3 52.6 -41.8 -46.8 87.8 89.5 18.6 1852 430 D E H 3> S+ 0 0 117 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.865 111.1 46.4 -63.8 -36.5 84.5 88.7 16.8 1853 431 D E H <> S+ 0 0 25 -3,-1.1 4,-2.6 2,-0.2 -1,-0.2 0.838 108.2 56.8 -75.8 -30.2 85.2 85.0 16.8 1854 432 D K H X S+ 0 0 26 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.904 104.1 52.8 -65.0 -40.2 86.2 85.1 20.5 1855 433 D E H X S+ 0 0 112 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.2 0.916 111.7 46.2 -60.0 -42.8 82.8 86.6 21.3 1856 434 D N H X S+ 0 0 29 -4,-1.4 4,-3.0 2,-0.2 5,-0.2 0.898 109.7 54.3 -65.1 -42.3 81.1 83.7 19.4 1857 435 D L H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.945 112.7 43.4 -55.9 -50.1 83.4 81.2 21.2 1858 436 D I H X S+ 0 0 6 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.916 115.2 47.6 -63.4 -47.3 82.3 82.5 24.6 1859 437 D N H X S+ 0 0 75 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.877 110.0 53.2 -64.5 -37.3 78.6 82.8 23.7 1860 438 D N H X S+ 0 0 16 -4,-3.0 4,-1.2 -259,-0.2 -1,-0.2 0.924 113.5 43.2 -63.8 -42.9 78.6 79.3 22.2 1861 439 D I H X>S+ 0 0 0 -4,-2.1 4,-3.2 -5,-0.2 5,-0.6 0.950 113.6 51.2 -67.0 -47.3 80.1 77.9 25.4 1862 440 D A H X5S+ 0 0 3 -4,-3.0 4,-2.2 1,-0.3 -2,-0.2 0.914 107.1 53.5 -55.7 -46.6 77.8 80.0 27.6 1863 441 D A H <5S+ 0 0 51 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.835 121.1 32.6 -58.6 -33.4 74.7 78.8 25.8 1864 442 D S H ><5S+ 0 0 28 -4,-1.2 3,-1.9 -3,-0.5 4,-0.3 0.942 123.6 40.0 -88.6 -60.4 75.7 75.2 26.3 1865 443 D L H ><5S+ 0 0 0 -4,-3.2 3,-1.8 1,-0.3 -3,-0.2 0.825 107.3 68.3 -59.7 -30.9 77.5 75.2 29.7 1866 444 D G T 3<> - 0 0 43 1,-0.2 4,-1.7 2,-0.1 3,-1.2 -0.501 61.9-162.1 -65.3 102.8 75.1 71.2 38.9 1871 449 D Q H 3> S+ 0 0 164 -2,-0.9 4,-2.5 1,-0.3 5,-0.2 0.790 88.2 62.5 -57.9 -28.4 77.0 74.3 40.0 1872 450 D E H 3> S+ 0 0 137 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.833 102.7 49.1 -68.0 -31.2 80.0 72.1 40.9 1873 451 D I H <> S+ 0 0 0 -3,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.929 111.7 48.2 -72.2 -45.5 80.3 71.0 37.2 1874 452 D I H X S+ 0 0 25 -4,-1.7 4,-2.9 1,-0.2 -2,-0.2 0.920 113.2 48.0 -60.7 -44.3 80.2 74.6 35.9 1875 453 D A H X S+ 0 0 46 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.916 110.9 50.1 -63.3 -45.2 82.8 75.7 38.5 1876 454 D R H X S+ 0 0 64 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.927 114.1 45.9 -59.6 -43.8 85.1 72.8 37.7 1877 455 D Q H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.920 111.2 51.2 -66.5 -44.5 84.8 73.6 34.0 1878 456 D I H X S+ 0 0 26 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.883 107.1 53.5 -61.7 -36.9 85.3 77.3 34.4 1879 457 D D H X S+ 0 0 100 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.859 107.8 53.4 -65.0 -32.6 88.4 76.7 36.5 1880 458 D L H X S+ 0 0 22 -4,-1.4 4,-0.8 2,-0.2 -2,-0.2 0.930 110.1 44.7 -66.2 -47.6 89.6 74.6 33.5 1881 459 D F H >X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 3,-1.0 0.905 110.1 56.2 -63.6 -40.2 89.1 77.5 31.1 1882 460 D T H 3< S+ 0 0 58 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.883 103.8 54.8 -59.2 -37.2 90.7 79.9 33.5 1883 461 D R H 3< S+ 0 0 167 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.729 106.5 50.7 -69.9 -21.6 93.7 77.6 33.5 1884 462 D V H << S- 0 0 9 -3,-1.0 -2,-0.2 -4,-0.8 -1,-0.2 0.938 140.5 -21.4 -75.6 -50.0 93.9 77.9 29.7 1885 463 D N X - 0 0 26 -4,-2.4 4,-2.0 -5,-0.1 -1,-0.4 -0.916 57.2-132.8-160.2 129.4 93.7 81.7 29.9 1886 464 D P H > S+ 0 0 92 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.881 111.3 49.6 -52.3 -42.2 92.4 83.9 32.8 1887 465 D E H > S+ 0 0 88 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.893 106.0 57.1 -64.5 -42.1 90.4 86.0 30.3 1888 466 D Y H > S+ 0 0 0 -7,-0.2 4,-2.1 1,-0.2 -6,-0.2 0.963 113.1 38.8 -53.6 -58.2 88.9 82.8 28.7 1889 467 D G H X S+ 0 0 0 -4,-2.0 4,-2.5 -8,-0.5 -1,-0.2 0.890 116.0 52.2 -61.9 -41.3 87.5 81.6 32.0 1890 468 D A H X S+ 0 0 58 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.941 110.3 47.7 -61.1 -48.6 86.5 85.1 33.1 1891 469 D R H X S+ 0 0 67 -4,-3.3 4,-2.7 2,-0.2 -1,-0.2 0.888 112.6 49.2 -60.7 -40.7 84.6 85.8 29.9 1892 470 D V H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.948 112.2 47.7 -64.5 -48.6 82.8 82.4 30.1 1893 471 D A H X S+ 0 0 32 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.909 113.1 48.2 -58.5 -45.2 81.7 82.9 33.7 1894 472 D Q H X S+ 0 0 112 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.969 109.1 53.4 -60.9 -50.7 80.5 86.4 33.0 1895 473 D A H < S+ 0 0 8 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.861 110.9 47.0 -51.0 -42.0 78.5 85.2 30.0 1896 474 D I H >< S+ 0 0 28 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.917 107.4 55.3 -68.6 -43.2 76.8 82.6 32.0 1897 475 D K H 3< S+ 0 0 185 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.849 97.6 66.6 -58.1 -34.1 76.0 85.0 34.9 1898 476 D Q T 3< 0 0 141 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.1 0.098 360.0 360.0 -77.0 24.5 74.2 87.2 32.3 1899 477 D Q < 0 0 144 -3,-1.3 -3,-0.0 -2,-0.0 -36,-0.0 -0.906 360.0 360.0-128.3 360.0 71.5 84.6 31.8