==== 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 02-SEP-03 1QWL . COMPND 2 MOLECULE: KATA CATALASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR P.C.LOEWEN,X.CARPENA,R.PEREZ-LUQUE,C.ROVIRA,R.HAAS,S.OBENBRE . 982 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47533.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 609 62.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 150 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 66 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 121 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 232 23.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.8 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 0 0 0 6 2 4 2 0 0 2 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 12 4 0 2 0 6 0 2 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 0 0 0 0 0 0 0 0 2 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 1 A M 0 0 208 0, 0.0 2,-0.4 0, 0.0 304,-0.0 0.000 360.0 360.0 360.0 158.6 10.6 79.7 9.9 2 2 A V - 0 0 131 2,-0.0 2,-0.6 0, 0.0 0, 0.0 -0.944 360.0-142.6-114.4 142.1 6.9 80.1 10.9 3 3 A N + 0 0 133 -2,-0.4 2,-0.3 2,-0.0 0, 0.0 -0.924 30.5 160.6-109.6 123.0 5.5 83.6 11.3 4 4 A K - 0 0 170 -2,-0.6 2,-0.4 2,-0.0 -2,-0.0 -0.999 42.0-112.1-144.7 137.1 3.0 84.0 14.1 5 5 A D + 0 0 167 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.573 48.1 161.7 -66.6 123.6 1.7 87.0 16.1 6 6 A V - 0 0 106 -2,-0.4 2,-0.5 0, 0.0 -2,-0.0 -0.993 45.9-105.1-146.7 149.5 2.8 86.8 19.8 7 7 A K - 0 0 203 -2,-0.3 2,-0.3 1,-0.1 -2,-0.0 -0.640 43.0-131.2 -75.6 115.1 3.1 89.2 22.8 8 8 A Q + 0 0 91 -2,-0.5 8,-2.5 8,-0.2 2,-0.3 -0.524 37.0 162.7 -75.9 130.9 6.8 89.9 23.1 9 9 A T B -A 15 0A 62 6,-0.3 2,-0.1 -2,-0.3 0, 0.0 -0.876 40.0 -98.1-134.4 173.8 8.3 89.6 26.6 10 10 A T > - 0 0 21 4,-2.3 3,-1.8 -2,-0.3 6,-0.1 -0.248 55.4 -90.5 -74.1 175.7 11.7 89.2 28.4 11 11 A A T 3 S+ 0 0 85 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.691 129.8 57.0 -61.6 -13.9 12.8 85.7 29.4 12 12 A F T 3 S- 0 0 175 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.244 121.7-102.4-104.8 13.5 11.0 86.4 32.7 13 13 A G S < S+ 0 0 52 -3,-1.8 -2,-0.1 1,-0.3 3,-0.0 0.438 74.1 139.1 88.3 1.1 7.6 87.2 31.2 14 14 A A - 0 0 49 1,-0.1 -4,-2.3 0, 0.0 -1,-0.3 -0.623 60.8-103.7 -82.3 134.9 7.7 91.0 31.5 15 15 A P B -A 9 0A 97 0, 0.0 2,-0.6 0, 0.0 -6,-0.3 -0.336 25.1-130.1 -57.2 135.8 6.3 92.8 28.4 16 16 A V + 0 0 26 -8,-2.5 -8,-0.2 1,-0.1 3,-0.2 -0.853 27.6 178.0 -82.6 126.4 8.8 94.3 26.0 17 17 A W S S+ 0 0 212 -2,-0.6 2,-0.2 1,-0.2 -1,-0.1 0.485 71.5 26.5-108.7 -14.3 7.6 97.9 25.4 18 18 A D + 0 0 57 1,-0.1 -1,-0.2 2,-0.0 19,-0.1 -0.731 52.5 162.4-148.5 109.5 10.5 99.1 23.1 19 19 A D S S+ 0 0 52 -2,-0.2 3,-0.1 -3,-0.2 -1,-0.1 0.277 82.8 46.4 -99.8 7.4 12.3 96.5 20.9 20 20 A N S S+ 0 0 141 1,-0.3 2,-0.4 2,-0.0 -1,-0.1 0.582 108.3 44.6-122.6 -24.8 13.7 99.3 18.6 21 21 A N - 0 0 105 3,-0.0 -1,-0.3 0, 0.0 17,-0.1 -0.991 64.2-145.6-131.6 135.5 15.0 102.1 20.9 22 22 A V - 0 0 54 -2,-0.4 2,-0.5 1,-0.1 -2,-0.0 -0.184 41.2 -83.2 -79.2-176.8 17.2 102.0 24.0 23 23 A I + 0 0 44 9,-0.3 9,-2.7 -2,-0.0 2,-0.3 -0.784 56.2 168.5 -94.0 131.9 16.8 104.5 26.8 24 24 A T B -B 31 0B 49 -2,-0.5 2,-1.2 7,-0.2 7,-0.2 -0.945 45.3-107.3-140.4 156.6 18.6 107.8 26.4 25 25 A A S S- 0 0 50 5,-1.4 3,-0.2 -2,-0.3 -2,-0.0 -0.758 100.4 -16.8 -83.7 97.6 18.8 111.3 28.0 26 26 A G S > S- 0 0 43 -2,-1.2 3,-1.8 1,-0.2 0, 0.0 0.074 99.9 -71.6 79.3 161.1 16.9 113.2 25.2 27 27 A P T 3 S+ 0 0 137 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.652 136.8 32.2 -66.1 -21.0 16.3 111.8 21.8 28 28 A R T 3 S+ 0 0 250 -3,-0.2 -2,-0.1 2,-0.0 -3,-0.0 0.191 98.9 116.8-113.3 11.3 20.0 112.2 20.8 29 29 A G S < S- 0 0 20 -3,-1.8 -3,-0.1 1,-0.2 3,-0.1 -0.183 72.9 -78.0 -79.9 170.0 21.5 111.6 24.2 30 30 A P - 0 0 57 0, 0.0 -5,-1.4 0, 0.0 2,-0.2 -0.178 56.7 -95.0 -58.4 158.9 23.9 108.9 25.6 31 31 A V B -B 24 0B 44 -7,-0.2 494,-2.6 1,-0.0 495,-0.5 -0.560 36.3-131.5 -85.5 137.6 22.4 105.5 26.4 32 32 A L B > -C 524 0C 9 -9,-2.7 3,-1.7 492,-0.3 -9,-0.3 -0.712 11.0-129.3 -91.9 143.6 21.4 104.8 30.0 33 33 A L T 3 S+ 0 0 40 490,-2.9 6,-0.1 -2,-0.3 491,-0.1 0.764 102.7 75.1 -59.2 -24.9 22.4 101.7 31.9 34 34 A Q T 3 + 0 0 121 489,-0.5 2,-2.3 1,-0.2 -1,-0.3 0.405 58.5 111.0 -79.0 12.9 18.8 101.2 32.9 35 35 A S <> + 0 0 7 -3,-1.7 4,-2.0 1,-0.2 -1,-0.2 -0.516 43.5 164.1 -76.9 74.6 18.1 100.0 29.3 36 36 A T H > + 0 0 99 -2,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.772 65.5 52.7 -77.6 -28.5 17.5 96.6 30.9 37 37 A W H > S+ 0 0 56 -3,-0.2 4,-3.4 2,-0.2 5,-0.3 0.943 111.2 52.0 -67.8 -42.8 15.7 94.8 28.0 38 38 A F H > S+ 0 0 68 1,-0.2 4,-2.9 2,-0.2 5,-0.4 0.945 109.9 48.7 -50.0 -47.6 18.7 96.0 25.9 39 39 A L H X S+ 0 0 64 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.926 115.7 41.5 -63.2 -44.2 21.1 94.5 28.4 40 40 A E H X S+ 0 0 49 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.897 115.7 50.5 -71.5 -42.0 19.2 91.1 28.5 41 41 A K H X S+ 0 0 76 -4,-3.4 4,-1.9 2,-0.2 -2,-0.2 0.909 116.6 39.2 -61.3 -48.8 18.7 91.0 24.7 42 42 A L H X S+ 0 0 57 -4,-2.9 4,-3.2 -5,-0.3 -2,-0.2 0.879 113.5 55.8 -74.8 -39.4 22.4 91.7 23.8 43 43 A A H < S+ 0 0 36 -4,-2.4 4,-0.5 -5,-0.4 -2,-0.2 0.908 110.4 45.5 -55.4 -39.2 23.7 89.5 26.7 44 44 A A H >< S+ 0 0 62 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.925 114.0 48.7 -70.5 -43.3 21.6 86.6 25.2 45 45 A F H >< S+ 0 0 115 -4,-1.9 3,-1.9 1,-0.2 4,-0.3 0.920 105.3 59.0 -58.0 -45.0 22.8 87.4 21.7 46 46 A D T 3< S+ 0 0 111 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.642 111.7 41.0 -61.0 -14.8 26.4 87.6 23.0 47 47 A R T < S+ 0 0 146 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.081 78.7 110.4-121.5 16.5 26.1 83.9 24.2 48 48 A E < + 0 0 90 -3,-1.9 2,-0.3 -5,-0.0 -2,-0.1 0.841 64.0 75.9 -63.4 -31.6 24.2 82.3 21.3 49 49 A R - 0 0 156 -4,-0.3 3,-0.0 -3,-0.1 0, 0.0 -0.654 56.5-174.0 -91.2 136.8 27.2 80.2 20.1 50 50 A I - 0 0 48 -2,-0.3 296,-0.1 1,-0.1 297,-0.1 -0.751 47.7 -73.3-108.2 166.2 28.4 77.1 21.8 51 51 A P - 0 0 39 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.324 52.4-123.5 -58.5 138.8 31.6 75.2 20.7 52 52 A E - 0 0 58 1,-0.2 5,-0.1 2,-0.1 6,-0.1 -0.441 42.4 -78.0 -75.3 166.7 31.1 73.4 17.4 53 53 A R - 0 0 19 4,-0.2 4,-0.3 1,-0.1 -1,-0.2 -0.271 38.0-126.5 -61.5 144.9 31.8 69.7 17.4 54 54 A V S S+ 0 0 97 2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.859 96.0 10.2 -67.8 -32.7 35.5 69.0 17.2 55 55 A V S S+ 0 0 19 1,-0.1 43,-0.2 2,-0.0 42,-0.1 -0.933 128.3 31.7-130.9 163.3 34.9 66.8 14.2 56 56 A H + 0 0 32 41,-2.7 41,-0.2 -2,-0.3 -3,-0.1 0.814 68.7 152.8 65.0 32.3 31.7 66.5 12.1 57 57 A A + 0 0 1 40,-0.6 2,-0.7 42,-0.5 -4,-0.2 0.816 52.8 67.7 -67.5 -30.5 30.7 70.1 12.8 58 58 A K S S+ 0 0 16 41,-0.6 38,-1.9 39,-0.1 2,-0.3 -0.812 74.5 111.2 -95.4 117.0 28.6 70.5 9.6 59 59 A G E -D 95 0D 3 -2,-0.7 2,-0.3 36,-0.2 36,-0.3 -0.956 48.2-119.3-167.9-172.2 25.4 68.5 9.4 60 60 A S E -D 94 0D 1 34,-2.6 34,-3.2 -2,-0.3 2,-0.3 -0.974 20.9-157.5-139.9 152.1 21.7 67.8 9.2 61 61 A G E +D 93 0D 5 -2,-0.3 2,-0.3 32,-0.2 32,-0.2 -0.931 10.1 175.7-137.2 159.6 19.2 65.9 11.3 62 62 A A E -D 92 0D 0 30,-2.1 30,-3.3 -2,-0.3 2,-0.2 -0.986 25.2-123.7-156.0 153.2 15.8 64.2 11.1 63 63 A Y E +DE 91 301D 16 238,-3.0 237,-1.9 -2,-0.3 238,-1.9 -0.619 41.3 150.2 -93.1 154.0 13.5 62.1 13.2 64 64 A G E -DE 90 299D 0 26,-2.5 26,-2.2 235,-0.3 2,-0.4 -0.873 37.5 -95.6-160.2-162.2 12.2 58.8 12.0 65 65 A T E -DE 89 298D 20 233,-2.8 233,-2.3 -2,-0.3 2,-0.4 -0.997 16.5-154.4-137.4 130.2 11.0 55.3 12.7 66 66 A F E -DE 88 297D 2 22,-3.0 22,-2.5 -2,-0.4 2,-0.4 -0.916 13.0-168.9-103.1 131.3 12.7 51.9 12.7 67 67 A T E -DE 87 296D 30 229,-2.6 229,-2.7 -2,-0.4 2,-0.3 -0.992 20.8-128.4-119.1 127.3 10.5 48.8 12.0 68 68 A V E + E 0 295D 2 18,-2.0 17,-2.5 -2,-0.4 227,-0.3 -0.571 27.7 174.4 -68.2 129.7 11.8 45.2 12.6 69 69 A T + 0 0 39 225,-2.9 2,-0.3 -2,-0.3 226,-0.2 0.605 62.8 34.5-110.4 -22.8 11.3 43.0 9.5 70 70 A K S S- 0 0 109 224,-2.0 2,-0.7 13,-0.1 -1,-0.2 -0.923 80.4-111.7-136.3 161.4 13.1 39.8 10.5 71 71 A D + 0 0 107 -2,-0.3 3,-0.1 1,-0.1 11,-0.1 -0.819 38.2 158.6-101.2 112.1 13.6 37.9 13.8 72 72 A I >> + 0 0 6 -2,-0.7 3,-2.3 9,-0.5 4,-1.5 0.109 34.4 121.7-117.7 22.2 17.1 37.9 15.1 73 73 A T T 34 + 0 0 57 1,-0.3 133,-0.4 2,-0.2 -1,-0.1 0.680 61.7 73.2 -56.6 -20.7 16.2 37.1 18.7 74 74 A K T 34 S+ 0 0 119 1,-0.2 -1,-0.3 -3,-0.1 131,-0.1 0.821 110.4 30.0 -61.4 -26.8 18.4 34.0 18.5 75 75 A Y T <4 S+ 0 0 39 -3,-2.3 2,-0.4 1,-0.2 136,-0.2 0.707 127.0 34.6-102.9 -28.0 21.4 36.4 18.7 76 76 A T < - 0 0 0 -4,-1.5 129,-0.3 127,-0.1 -1,-0.2 -0.980 41.5-166.5-144.6 139.5 20.0 39.2 20.7 77 77 A K + 0 0 59 127,-2.5 128,-0.1 -2,-0.4 246,-0.1 0.370 48.4 139.6 -98.8 4.6 17.6 40.0 23.6 78 78 A A > - 0 0 0 245,-0.3 3,-1.6 126,-0.3 4,-0.3 -0.207 55.8-134.6 -52.1 131.0 17.6 43.7 22.8 79 79 A K G > S+ 0 0 73 243,-0.4 3,-1.6 1,-0.3 4,-0.2 0.854 100.2 65.0 -58.6 -36.0 14.1 45.2 23.1 80 80 A I G 3 S+ 0 0 1 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.759 112.3 35.5 -57.4 -23.5 14.2 47.1 19.8 81 81 A F G < S+ 0 0 1 -3,-1.6 -9,-0.5 1,-0.1 -1,-0.3 0.240 85.1 110.3-113.8 8.2 14.4 43.8 17.9 82 82 A S S < S+ 0 0 49 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.1 0.661 80.9 23.0 -73.3 -17.9 12.1 41.7 20.1 83 83 A K S > S- 0 0 152 -4,-0.2 3,-2.0 -3,-0.2 -15,-0.3 -0.988 81.5-110.0-148.6 134.7 9.2 41.3 17.7 84 84 A V T 3 S+ 0 0 80 -2,-0.3 -15,-0.2 1,-0.3 3,-0.1 -0.422 109.0 26.6 -61.8 133.7 8.7 41.5 13.9 85 85 A G T 3 S+ 0 0 45 -17,-2.5 -1,-0.3 1,-0.3 2,-0.2 0.272 86.9 144.7 93.2 -7.1 6.7 44.7 13.1 86 86 A K < - 0 0 49 -3,-2.0 -18,-2.0 -19,-0.1 2,-0.4 -0.438 37.9-148.4 -69.6 131.6 7.9 46.4 16.3 87 87 A K E -D 67 0D 139 -20,-0.2 2,-0.4 -2,-0.2 -20,-0.2 -0.829 15.3-175.7-105.1 137.5 8.4 50.2 15.8 88 88 A T E -D 66 0D 10 -22,-2.5 -22,-3.0 -2,-0.4 31,-0.1 -0.996 24.3-126.4-131.8 129.6 11.1 52.4 17.5 89 89 A E E +D 65 0D 67 29,-0.4 29,-2.6 -2,-0.4 2,-0.3 -0.393 35.0 179.5 -72.4 146.5 11.4 56.2 17.1 90 90 A C E -DF 64 117D 0 -26,-2.2 -26,-2.5 27,-0.2 2,-0.4 -0.919 26.0-147.3-142.0 169.3 14.8 57.5 16.2 91 91 A F E -DF 63 116D 0 25,-2.1 25,-2.3 -2,-0.3 2,-0.3 -0.983 19.7-165.3-140.4 131.5 16.7 60.7 15.4 92 92 A F E -DF 62 115D 0 -30,-3.3 -30,-2.1 -2,-0.4 2,-0.4 -0.923 7.0-164.0-119.5 144.6 19.5 60.7 12.9 93 93 A R E -DF 61 114D 7 21,-2.6 21,-2.5 -2,-0.3 2,-0.3 -0.994 6.3-166.4-128.1 128.9 22.3 63.3 12.2 94 94 A F E +DF 60 113D 0 -34,-3.2 -34,-2.6 -2,-0.4 2,-0.3 -0.822 19.8 155.5-108.3 154.4 24.4 63.2 9.0 95 95 A S E -DF 59 112D 3 17,-1.2 17,-2.1 -2,-0.3 -36,-0.2 -0.988 40.7-112.1-162.2 164.3 27.6 65.2 8.6 96 96 A T - 0 0 3 -38,-1.9 16,-0.2 -2,-0.3 15,-0.1 -0.270 31.0-135.9 -87.0-167.1 30.9 65.8 6.9 97 97 A V S S+ 0 0 4 13,-0.2 -41,-2.7 -41,-0.2 -40,-0.6 0.793 82.5 29.5-113.2 -60.8 34.1 65.4 9.0 98 98 A A S S+ 0 0 17 -43,-0.2 11,-0.0 -42,-0.1 51,-0.0 0.784 93.3 93.8 -80.6 -36.0 36.8 68.1 8.6 99 99 A G - 0 0 15 5,-0.1 -41,-0.6 1,-0.1 -42,-0.5 -0.277 68.1-128.4 -67.4 149.2 34.8 71.2 7.7 100 100 A E > - 0 0 49 -43,-0.1 3,-2.1 -44,-0.1 -1,-0.1 -0.126 47.1 -68.4 -78.7 176.7 33.7 73.8 10.3 101 101 A R T 3 S+ 0 0 104 1,-0.3 -42,-0.1 -48,-0.1 -2,-0.1 0.664 131.0 34.3 -32.0 -38.5 30.1 75.1 10.7 102 102 A G T 3 S+ 0 0 70 -44,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.171 91.2 121.5-115.2 17.7 29.7 77.2 7.6 103 103 A S S < S- 0 0 28 -3,-2.1 2,-0.2 1,-0.1 -4,-0.0 -0.193 71.1 -83.3 -74.5 169.8 31.8 74.9 5.4 104 104 A A - 0 0 18 1,-0.1 136,-0.2 2,-0.1 3,-0.1 -0.595 20.3-147.3 -84.5 146.7 30.2 73.3 2.3 105 105 A D S S+ 0 0 2 134,-2.2 2,-1.8 -2,-0.2 -1,-0.1 0.851 88.6 67.9 -68.8 -41.3 28.1 70.2 2.1 106 106 A A S S+ 0 0 1 132,-0.3 2,-0.3 125,-0.1 129,-0.2 -0.495 76.9 118.9 -93.1 71.8 29.2 69.0 -1.3 107 107 A V S S- 0 0 38 -2,-1.8 2,-0.7 -3,-0.1 121,-0.0 -0.859 73.3 -98.0-127.4 162.0 32.8 68.1 -0.6 108 108 A R S S+ 0 0 52 -2,-0.3 78,-0.2 78,-0.1 77,-0.1 -0.787 75.6 107.4 -82.3 117.2 34.9 65.0 -0.7 109 109 A D S S- 0 0 15 76,-1.9 -2,-0.1 -2,-0.7 2,-0.0 -0.933 74.8 -81.7-175.1 159.6 35.0 63.6 2.9 110 110 A P - 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0 0 0 148,-0.1 2,-0.3 42,-0.1 148,-0.2 -0.756 66.2-145.3-125.7 170.3 36.1 51.2 7.6 134 134 A F - 0 0 14 146,-2.3 42,-0.4 -2,-0.2 41,-0.1 -0.873 28.9-112.3-133.1 170.8 38.3 54.0 9.0 135 135 A F S S+ 0 0 2 -2,-0.3 2,-0.3 41,-0.1 146,-0.1 0.581 97.1 30.9 -72.3 -20.5 41.7 55.4 8.4 136 136 A I - 0 0 0 37,-0.1 -2,-0.1 36,-0.1 3,-0.1 -0.917 58.4-153.2-134.2 164.9 43.3 54.3 11.8 137 137 A R S S+ 0 0 1 -2,-0.3 2,-0.4 1,-0.2 194,-0.3 0.300 78.1 62.6-129.5 9.9 42.8 51.4 14.2 138 138 A D S > S- 0 0 47 192,-0.1 3,-2.2 1,-0.1 -1,-0.2 -0.989 73.1-140.4-134.7 129.1 43.9 52.8 17.5 139 139 A A G > S+ 0 0 22 191,-0.4 3,-2.1 -2,-0.4 -1,-0.1 0.720 95.0 75.9 -65.0 -19.8 42.0 55.7 19.0 140 140 A I G 3 S+ 0 0 129 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.748 93.0 57.3 -62.9 -15.3 45.2 57.4 20.3 141 141 A K G <> S+ 0 0 42 -3,-2.2 4,-2.7 1,-0.2 -1,-0.3 0.579 78.4 92.6 -89.1 -6.4 45.7 58.4 16.7 142 142 A F H <> S+ 0 0 52 -3,-2.1 4,-2.8 1,-0.2 5,-0.3 0.916 85.4 47.5 -59.6 -44.8 42.5 60.2 16.2 143 143 A P H > S+ 0 0 70 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.889 113.6 49.7 -60.7 -38.5 43.8 63.7 17.2 144 144 A D H > S+ 0 0 12 -4,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.949 113.2 45.2 -64.2 -47.6 46.8 63.3 14.9 145 145 A F H X S+ 0 0 2 -4,-2.7 4,-1.0 2,-0.2 -1,-0.2 0.934 115.6 46.0 -57.6 -48.9 44.6 62.2 11.9 146 146 A I H >X S+ 0 0 9 -4,-2.8 4,-1.3 -5,-0.3 3,-0.9 0.916 108.1 57.3 -70.0 -40.8 42.1 64.9 12.4 147 147 A H H >< S+ 0 0 41 -4,-2.4 3,-0.7 -5,-0.3 -1,-0.2 0.927 107.6 48.2 -52.1 -43.2 44.8 67.6 12.8 148 148 A T H 3< S+ 0 0 0 -4,-1.9 11,-0.4 1,-0.2 -1,-0.3 0.746 110.0 52.3 -73.2 -19.9 46.2 66.6 9.4 149 149 A Q H << S+ 0 0 37 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.633 111.9 50.4 -87.9 -12.5 42.7 66.8 7.8 150 150 A K S << S- 0 0 37 -4,-1.3 9,-0.5 -3,-0.7 2,-0.3 0.321 104.1 -34.3-108.6-135.2 42.0 70.3 9.2 151 151 A R - 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0 0 68 0, 0.0 4,-2.6 0, 0.0 3,-0.3 -0.327 32.2-107.7 -64.4 157.8 34.0 49.5 -12.3 438 438 A A H > S+ 0 0 79 1,-0.3 4,-1.6 2,-0.2 5,-0.1 0.799 119.4 50.9 -61.7 -34.0 36.6 50.7 -14.8 439 439 A D H > S+ 0 0 94 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.913 110.5 48.8 -69.6 -38.7 35.1 54.2 -15.1 440 440 A E H > S+ 0 0 22 -3,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.884 106.8 57.4 -71.7 -38.2 35.1 54.6 -11.3 441 441 A K H X S+ 0 0 37 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.901 106.6 48.4 -53.5 -42.8 38.7 53.5 -11.2 442 442 A E H X S+ 0 0 117 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.869 109.6 52.1 -73.6 -28.6 39.8 56.3 -13.5 443 443 A R H X S+ 0 0 72 -4,-1.6 4,-2.9 2,-0.2 -1,-0.2 0.928 110.6 49.1 -68.1 -37.9 37.8 58.8 -11.5 444 444 A L H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.904 109.2 52.0 -68.5 -42.3 39.7 57.5 -8.4 445 445 A H H X S+ 0 0 5 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.939 112.5 45.4 -59.4 -40.6 43.0 57.8 -10.1 446 446 A D H X S+ 0 0 42 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.937 110.8 53.6 -70.8 -40.2 42.3 61.4 -11.1 447 447 A T H X S+ 0 0 11 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.917 116.0 38.6 -57.4 -46.9 41.1 62.3 -7.6 448 448 A I H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.4 0.920 112.7 54.5 -73.4 -44.3 44.3 60.9 -5.9 449 449 A G H X S+ 0 0 0 -4,-2.7 4,-1.5 -5,-0.3 -2,-0.2 0.925 109.6 49.4 -57.0 -37.4 46.8 62.2 -8.5 450 450 A E H < S+ 0 0 77 -4,-2.5 4,-0.3 -5,-0.2 -1,-0.2 0.942 113.2 46.1 -69.4 -41.9 45.4 65.7 -8.1 451 451 A S H >< S+ 0 0 13 -4,-1.7 3,-1.8 -5,-0.3 4,-0.3 0.954 113.3 47.5 -62.4 -47.8 45.6 65.5 -4.4 452 452 A L H >< S+ 0 0 0 -4,-3.1 3,-1.5 1,-0.3 -1,-0.2 0.768 97.4 74.2 -66.3 -23.9 49.2 64.0 -4.3 453 453 A A T 3< S+ 0 0 8 -4,-1.5 -1,-0.3 -5,-0.4 -2,-0.2 0.643 90.9 55.7 -66.6 -12.1 50.2 66.7 -6.8 454 454 A H T < S+ 0 0 61 -3,-1.8 -1,-0.3 -4,-0.3 -293,-0.2 0.570 81.7 109.2 -88.4 -15.0 50.1 69.3 -4.0 455 455 A V < - 0 0 12 -3,-1.5 -294,-0.0 -4,-0.3 3,-0.0 -0.475 52.8-164.3 -71.8 130.9 52.6 67.4 -1.9 456 456 A T + 0 0 102 -2,-0.2 2,-0.7 1,-0.1 -1,-0.1 0.460 69.0 75.7 -97.3 -6.5 56.0 69.1 -1.7 457 457 A H >> - 0 0 63 1,-0.1 4,-1.6 -296,-0.0 3,-1.5 -0.904 61.3-163.3-111.1 102.8 58.1 66.2 -0.4 458 458 A K H 3> S+ 0 0 148 -2,-0.7 4,-3.0 1,-0.3 5,-0.2 0.833 88.4 66.3 -56.4 -29.6 58.7 63.6 -3.1 459 459 A E H 3> S+ 0 0 130 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.873 102.5 46.5 -58.0 -39.4 59.7 61.1 -0.4 460 460 A I H <> S+ 0 0 0 -3,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.919 111.9 49.1 -71.7 -44.8 56.1 61.1 0.8 461 461 A V H X S+ 0 0 6 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.946 112.4 49.8 -60.0 -46.3 54.6 60.8 -2.6 462 462 A D H X S+ 0 0 69 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.912 110.3 49.3 -55.6 -47.7 57.0 57.9 -3.4 463 463 A K H X S+ 0 0 90 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.898 111.4 49.7 -61.1 -40.6 56.1 56.1 -0.1 464 464 A Q H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.892 107.1 53.5 -69.9 -37.8 52.4 56.5 -0.8 465 465 A L H X S+ 0 0 21 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.896 103.3 58.5 -63.3 -39.8 52.7 55.1 -4.4 466 466 A E H X S+ 0 0 88 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.877 105.2 50.8 -53.0 -40.5 54.5 52.0 -2.9 467 467 A H H X S+ 0 0 16 -4,-1.3 4,-1.2 2,-0.2 3,-0.3 0.928 108.5 50.1 -65.8 -48.2 51.3 51.4 -0.8 468 468 A F H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 3,-0.5 0.915 109.2 52.9 -52.9 -45.3 49.0 51.6 -3.8 469 469 A K H < S+ 0 0 107 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.821 104.1 54.6 -62.4 -34.1 51.2 49.2 -5.7 470 470 A K H < S+ 0 0 125 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.768 111.3 47.3 -72.5 -26.3 51.1 46.5 -2.9 471 471 A A H < S- 0 0 6 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.904 141.3 -25.8 -78.6 -44.6 47.4 46.7 -3.1 472 472 A D >X - 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0 0 20 -4,-2.5 4,-2.0 -5,-0.1 3,-1.0 -0.817 50.1-136.8-165.6 127.4 36.7 43.3 68.7 965 473 B P H 3> S+ 0 0 82 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.884 108.9 55.3 -57.7 -35.1 34.0 42.6 71.2 966 474 B K H 3> S+ 0 0 143 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.820 103.3 54.5 -70.6 -24.5 35.3 45.4 73.4 967 475 B Y H <> S+ 0 0 0 -3,-1.0 4,-2.5 -7,-0.3 5,-0.3 0.954 112.6 43.9 -69.6 -49.1 35.1 47.9 70.5 968 476 B A H X S+ 0 0 11 -4,-2.0 4,-2.6 -8,-0.4 -2,-0.2 0.927 113.0 51.8 -56.2 -48.1 31.4 46.9 70.2 969 477 B E H X S+ 0 0 137 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.911 112.8 46.0 -55.4 -45.0 30.9 47.0 74.0 970 478 B G H X S+ 0 0 11 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.901 112.4 48.0 -69.8 -46.4 32.4 50.5 74.3 971 479 B V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.926 109.9 53.6 -58.7 -46.2 30.5 52.0 71.4 972 480 B K H X S+ 0 0 104 -4,-2.6 4,-2.7 -5,-0.3 5,-0.2 0.919 107.6 50.0 -58.8 -45.5 27.2 50.6 72.7 973 481 B K H X S+ 0 0 161 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.929 113.8 45.0 -62.0 -40.1 27.6 52.1 76.1 974 482 B A H X S+ 0 0 10 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.849 110.5 55.3 -69.3 -36.9 28.4 55.5 74.6 975 483 B L H X S+ 0 0 7 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.939 108.9 47.1 -59.7 -50.7 25.5 55.2 72.2 976 484 B E H X S+ 0 0 98 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.911 111.2 51.8 -57.6 -44.0 23.1 54.5 75.0 977 485 B K H X S+ 0 0 124 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.899 114.2 42.7 -58.4 -44.8 24.5 57.5 77.0 978 486 B H H X S+ 0 0 20 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.797 110.2 55.8 -77.4 -24.1 24.1 59.8 74.0 979 487 B Q H >< S+ 0 0 62 -4,-2.1 3,-0.6 1,-0.2 4,-0.4 0.921 109.5 48.2 -73.2 -42.4 20.7 58.5 73.1 980 488 B K H >< S+ 0 0 173 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.866 108.6 53.4 -58.7 -44.3 19.5 59.3 76.7 981 489 B M H 3< S+ 0 0 127 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.691 112.1 46.1 -67.9 -18.0 21.0 62.8 76.5 982 490 B M T << 0 0 90 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.761 360.0 360.0 -71.5 -36.9 19.1 63.6 73.3 983 491 B K < 0 0 162 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 -0.742 360.0 360.0 127.8 360.0 16.2 62.4 74.3