==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-AUG-99 1C4A . COMPND 2 MOLECULE: PROTEIN (FE-ONLY HYDROGENASE); . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PASTEURIANUM; . AUTHOR B.J.LEMON,J.W.PETERS . 574 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23925.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 384 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 7.8 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 . 47 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.4 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 2 1 4 1 0 5 3 0 0 1 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 2 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 PARALLEL BRIDGES PER LADDER . 3 3 1 1 2 0 0 1 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 . 2 1 1 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 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 0 141 0, 0.0 2,-0.4 0, 0.0 13,-0.2 0.000 360.0 360.0 360.0 135.8 74.9 49.2 -13.5 2 2 A K E -A 13 0A 39 11,-2.8 11,-2.7 66,-0.1 2,-0.6 -0.800 360.0-151.7 -92.2 131.7 77.7 47.2 -11.9 3 3 A T E +A 12 0A 50 -2,-0.4 66,-2.6 9,-0.2 67,-0.8 -0.903 19.3 172.4-110.0 118.3 79.7 44.8 -14.0 4 4 A I E -Ab 11 70A 0 7,-2.2 7,-2.4 -2,-0.6 2,-0.6 -0.954 20.2-155.6-125.1 143.7 81.3 41.7 -12.3 5 5 A I E -Ab 10 71A 47 65,-2.5 67,-2.0 -2,-0.4 2,-0.7 -0.941 8.8-168.4-119.2 104.8 83.1 38.8 -13.8 6 6 A I E > S-Ab 9 72A 2 3,-1.8 3,-0.9 -2,-0.6 67,-0.2 -0.895 75.4 -19.6-100.4 114.0 83.0 35.6 -11.6 7 7 A N T 3 S- 0 0 64 65,-2.6 -1,-0.2 -2,-0.7 66,-0.1 0.936 128.2 -46.7 53.5 61.2 85.4 33.0 -13.0 8 8 A G T 3 S+ 0 0 73 -3,-0.3 2,-0.5 64,-0.2 -1,-0.2 0.417 117.1 113.9 69.4 -0.7 85.8 34.3 -16.5 9 9 A V E < -A 6 0A 78 -3,-0.9 -3,-1.8 2,-0.0 2,-0.3 -0.883 60.6-135.3-109.6 129.5 82.0 34.7 -16.8 10 10 A Q E +A 5 0A 133 -2,-0.5 2,-0.4 -5,-0.3 -5,-0.2 -0.609 22.5 176.3 -91.3 139.4 80.4 38.1 -17.1 11 11 A F E -A 4 0A 41 -7,-2.4 -7,-2.2 -2,-0.3 2,-0.4 -0.994 16.8-153.9-139.0 139.7 77.4 39.4 -15.2 12 12 A N E +A 3 0A 84 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.968 29.8 161.1-113.1 131.0 75.7 42.8 -15.3 13 13 A T E -A 2 0A 8 -11,-2.7 -11,-2.8 -2,-0.4 -2,-0.0 -1.000 36.9-166.8-154.1 150.3 73.8 43.7 -12.1 14 14 A D + 0 0 111 -2,-0.3 -1,-0.1 -13,-0.2 -11,-0.1 0.685 61.2 102.2-107.9 -26.6 72.4 46.6 -10.1 15 15 A E - 0 0 94 1,-0.1 2,-0.9 -13,-0.1 51,-0.1 -0.319 66.3-137.2 -64.3 133.6 71.6 45.0 -6.8 16 16 A D + 0 0 99 49,-0.1 2,-0.3 -2,-0.0 -1,-0.1 -0.865 53.4 128.7 -95.8 106.2 74.0 45.7 -3.9 17 17 A T - 0 0 24 -2,-0.9 49,-2.4 49,-0.1 46,-0.1 -0.875 59.1 -80.2-146.4 172.2 74.3 42.3 -2.3 18 18 A T B > -E 65 0B 14 -2,-0.3 4,-2.3 47,-0.3 47,-0.3 -0.292 38.2-111.6 -78.0 169.1 77.2 40.0 -1.2 19 19 A I H > S+ 0 0 0 45,-2.0 4,-2.3 42,-0.6 43,-0.2 0.902 118.7 51.0 -67.5 -39.2 79.1 37.6 -3.5 20 20 A L H 4 S+ 0 0 2 41,-1.9 4,-0.3 44,-0.2 -1,-0.2 0.907 111.2 48.4 -63.3 -43.7 77.5 34.5 -1.9 21 21 A K H >> S+ 0 0 54 40,-0.3 4,-1.8 2,-0.2 3,-1.0 0.940 114.5 43.7 -62.7 -49.8 74.0 36.0 -2.3 22 22 A F H 3X S+ 0 0 7 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.871 115.0 49.5 -65.0 -37.4 74.5 36.9 -6.0 23 23 A A H 3<>S+ 0 0 1 -4,-2.3 5,-1.8 -5,-0.2 7,-0.3 0.469 109.0 54.8 -78.7 -3.0 76.2 33.5 -6.7 24 24 A R H <45S+ 0 0 50 -3,-1.0 -2,-0.2 -4,-0.3 -1,-0.2 0.767 110.0 44.5 -91.7 -40.8 73.3 31.8 -4.9 25 25 A D H <5S+ 0 0 100 -4,-1.8 2,-0.8 1,-0.2 -2,-0.2 0.885 114.5 50.2 -71.9 -41.6 70.7 33.4 -7.2 26 26 A N T <5S- 0 0 45 -4,-2.0 2,-1.5 -5,-0.2 -1,-0.2 -0.906 113.6-109.4 -99.3 102.1 72.8 32.8 -10.4 27 27 A N T 5 + 0 0 160 -2,-0.8 2,-0.3 -3,-0.1 -3,-0.2 -0.043 68.1 139.6 -43.5 72.5 73.5 29.0 -9.8 28 28 A I < - 0 0 37 -5,-1.8 2,-0.7 -2,-1.5 -2,-0.0 -0.819 54.5-117.2-113.6 151.6 77.2 29.1 -9.1 29 29 A D + 0 0 107 -2,-0.3 2,-0.4 2,-0.0 -5,-0.1 -0.368 45.0 153.1-102.2 62.0 78.8 27.0 -6.4 30 30 A I - 0 0 6 -2,-0.7 2,-0.4 -7,-0.3 19,-0.1 -0.665 40.9-132.9 -78.9 134.1 80.4 29.0 -3.5 31 31 A S - 0 0 9 17,-0.5 2,-0.3 -2,-0.4 -2,-0.0 -0.754 25.8-175.0 -91.7 135.3 80.3 26.8 -0.4 32 32 A A + 0 0 17 -2,-0.4 4,-0.0 1,-0.1 0, 0.0 -0.852 18.2 157.7-123.3 161.3 79.1 28.3 2.9 33 33 A L S S+ 0 0 3 -2,-0.3 -1,-0.1 117,-0.1 117,-0.1 0.386 74.4 37.4-145.4 -61.7 78.9 27.0 6.5 34 34 A C S S+ 0 0 1 7,-0.1 2,-0.6 115,-0.0 5,-0.1 0.614 94.5 99.6 -75.4 -9.2 78.8 29.5 9.4 35 35 A F + 0 0 36 5,-0.2 2,-0.3 6,-0.1 5,-0.2 -0.677 45.6 124.0 -82.1 121.8 76.5 31.8 7.4 36 36 A L B > +F 39 0C 24 3,-1.9 3,-1.0 -2,-0.6 163,-0.0 -0.907 57.6 28.4-171.0 148.7 72.8 31.5 8.3 37 37 A N T 3 S- 0 0 64 -2,-0.3 -1,-0.1 1,-0.2 3,-0.0 0.927 129.4 -60.6 57.8 49.7 70.0 33.8 9.4 38 38 A N T 3 S+ 0 0 129 1,-0.1 2,-0.3 -3,-0.0 -1,-0.2 0.533 121.8 80.6 56.5 18.8 71.5 36.7 7.7 39 39 A C B < -F 36 0C 24 -3,-1.0 -3,-1.9 -5,-0.1 2,-0.1 -1.000 58.8-151.9-153.7 141.2 74.7 36.5 9.8 40 40 A N - 0 0 7 -2,-0.3 2,-1.3 -5,-0.2 -5,-0.2 -0.386 54.2 -70.6 -98.2-174.8 78.0 34.6 10.0 41 41 A N - 0 0 7 1,-0.2 110,-0.1 -2,-0.1 -7,-0.1 -0.716 50.6-168.9 -79.2 99.6 80.2 33.9 13.1 42 42 A D S S+ 0 0 103 -2,-1.3 2,-0.6 2,-0.1 3,-0.4 0.899 76.9 56.0 -58.2 -45.1 81.3 37.5 13.5 43 43 A I S S- 0 0 125 1,-0.3 -1,-0.1 -3,-0.1 0, 0.0 -0.860 130.9 -6.7 -92.4 121.8 83.9 36.4 16.1 44 44 A N S S- 0 0 118 -2,-0.6 -1,-0.3 1,-0.1 -2,-0.1 0.986 83.5-149.1 43.7 82.9 86.1 33.7 14.3 45 45 A K - 0 0 62 -3,-0.4 -1,-0.1 1,-0.1 -3,-0.1 -0.335 13.3-127.8 -68.2 151.1 84.4 33.1 10.9 46 46 A C - 0 0 11 104,-0.2 -1,-0.1 1,-0.1 104,-0.0 0.732 22.7-152.3 -75.9 -27.7 84.7 29.7 9.2 47 47 A E > + 0 0 45 1,-0.1 3,-1.7 2,-0.1 39,-0.1 0.543 54.2 129.2 62.8 15.9 85.9 30.9 5.7 48 48 A I T 3 S+ 0 0 0 1,-0.3 -17,-0.5 38,-0.1 -1,-0.1 0.747 75.6 57.1 -67.3 -17.5 84.4 28.0 3.8 49 49 A C T 3 S+ 0 0 3 -19,-0.1 12,-1.8 2,-0.0 -1,-0.3 0.180 79.4 144.1 -94.9 12.2 83.0 30.8 1.6 50 50 A T E < +C 60 0A 4 -3,-1.7 2,-0.3 10,-0.2 10,-0.2 -0.316 20.7 173.4 -63.9 132.9 86.4 32.3 0.8 51 51 A V E -C 59 0A 0 8,-2.6 8,-2.6 6,-0.1 2,-0.5 -0.845 30.5-113.4-126.8 167.4 86.9 33.8 -2.7 52 52 A E E -CD 58 73A 33 21,-1.8 21,-1.7 -2,-0.3 2,-0.5 -0.914 19.7-163.1-108.8 127.9 89.7 35.8 -4.3 53 53 A V E >> -CD 57 72A 13 4,-2.7 4,-2.7 -2,-0.5 3,-1.0 -0.964 38.8-101.6-108.9 121.7 89.2 39.4 -5.4 54 54 A E T 34 S- 0 0 112 17,-1.9 2,-0.1 -2,-0.5 17,-0.1 -0.139 100.8 -1.8 -50.7 117.8 91.9 40.6 -7.8 55 55 A G T 34 S+ 0 0 85 1,-0.1 -1,-0.3 0, 0.0 -3,-0.0 -0.164 128.3 66.1 95.6 -38.9 94.5 42.7 -6.1 56 56 A T T <4 S- 0 0 108 -3,-1.0 2,-0.3 1,-0.2 -2,-0.2 0.934 92.1-146.2 -77.8 -55.2 92.8 42.5 -2.7 57 57 A G E < -C 53 0A 18 -4,-2.7 -4,-2.7 2,-0.0 2,-0.6 -0.874 46.4 -1.8 124.2-156.7 93.2 38.8 -2.0 58 58 A L E +C 52 0A 73 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.660 67.0 168.0 -80.8 114.8 91.2 36.1 -0.2 59 59 A V E -C 51 0A 34 -8,-2.6 -8,-2.6 -2,-0.6 2,-0.8 -0.836 41.8 -99.8-120.9 160.4 88.0 37.5 1.3 60 60 A T E > -C 50 0A 16 -2,-0.3 3,-1.6 -10,-0.2 4,-0.4 -0.752 26.8-155.7 -88.1 112.4 84.9 35.8 2.8 61 61 A A T 3 S+ 0 0 0 -12,-1.8 -41,-1.9 -2,-0.8 -42,-0.6 0.704 82.7 73.2 -57.1 -26.8 82.1 35.9 0.3 62 62 A C T 3 S+ 0 0 5 1,-0.2 -1,-0.3 -43,-0.2 -44,-0.1 0.675 118.0 17.6 -67.4 -15.0 79.2 35.7 2.8 63 63 A D S < S+ 0 0 69 -3,-1.6 2,-0.7 -46,-0.1 -1,-0.2 0.156 96.4 105.5-140.5 15.4 79.8 39.3 3.8 64 64 A T - 0 0 30 -3,-0.5 -45,-2.0 -4,-0.4 -44,-0.2 -0.909 63.9-141.1 -98.3 115.0 81.9 40.8 1.0 65 65 A L B -E 18 0B 73 -2,-0.7 -47,-0.3 -47,-0.3 2,-0.2 -0.470 21.1-104.1 -75.2 145.4 79.6 43.1 -1.1 66 66 A I - 0 0 0 -49,-2.4 2,-0.4 -2,-0.2 -1,-0.1 -0.445 34.0-162.9 -73.1 138.0 80.0 43.2 -4.9 67 67 A E > - 0 0 106 -2,-0.2 3,-0.8 -51,-0.1 2,-0.2 -0.938 30.4 -97.3-119.7 146.3 81.7 46.2 -6.5 68 68 A D T 3 S+ 0 0 100 -2,-0.4 -64,-0.2 1,-0.2 -66,-0.1 -0.438 110.2 29.3 -62.0 124.5 81.6 47.4 -10.1 69 69 A G T 3 S+ 0 0 55 -66,-2.6 2,-0.3 1,-0.2 -1,-0.2 0.775 86.3 152.3 92.2 32.0 84.7 46.1 -11.9 70 70 A M E < -b 4 0A 16 -67,-0.8 -65,-2.5 -3,-0.8 2,-0.4 -0.656 31.1-166.4 -95.1 149.1 85.3 42.9 -9.9 71 71 A I E -b 5 0A 60 -2,-0.3 -17,-1.9 -67,-0.2 2,-0.4 -0.982 19.2-169.5-130.8 120.2 87.0 39.7 -11.0 72 72 A I E -bD 6 53A 0 -67,-2.0 -65,-2.6 -2,-0.4 2,-0.5 -0.899 14.6-156.9-119.7 141.2 86.3 36.9 -8.6 73 73 A N E + D 0 52A 36 -21,-1.7 -21,-1.8 -2,-0.4 -67,-0.0 -0.969 25.6 152.4-124.8 115.9 87.8 33.4 -8.3 74 74 A T S S+ 0 0 15 -2,-0.5 -1,-0.1 -23,-0.2 -68,-0.0 0.781 76.7 40.6-111.6 -43.6 85.9 30.6 -6.4 75 75 A N S S+ 0 0 132 4,-0.1 -24,-0.1 -45,-0.1 -2,-0.0 0.155 97.2 133.6 -93.4 16.5 86.8 27.2 -7.8 76 76 A S - 0 0 43 1,-0.0 4,-0.5 -24,-0.0 -2,-0.0 0.385 66.8-115.1 -54.8-176.2 90.4 28.5 -7.9 77 77 A D S > S+ 0 0 125 2,-0.1 4,-1.5 3,-0.1 5,-0.1 0.908 110.6 38.3 -92.4 -64.0 93.7 27.0 -6.7 78 78 A A H > S+ 0 0 49 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.770 118.9 52.0 -58.6 -31.4 94.8 29.3 -3.8 79 79 A V H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.953 107.9 48.4 -70.4 -53.0 91.1 29.6 -2.7 80 80 A N H > S+ 0 0 46 -4,-0.5 4,-1.8 1,-0.2 -2,-0.2 0.718 110.0 54.7 -62.6 -22.7 90.4 25.8 -2.6 81 81 A E H X S+ 0 0 126 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.926 107.6 48.1 -73.8 -45.8 93.7 25.4 -0.6 82 82 A K H X S+ 0 0 72 -4,-1.5 4,-1.1 1,-0.2 -2,-0.2 0.789 112.9 49.4 -64.4 -30.5 92.6 27.9 2.1 83 83 A I H X S+ 0 0 2 -4,-1.7 4,-2.2 2,-0.2 3,-0.2 0.932 111.0 47.1 -77.0 -45.2 89.1 26.2 2.4 84 84 A K H X S+ 0 0 79 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.792 107.7 58.5 -63.2 -28.9 90.5 22.6 2.8 85 85 A S H < S+ 0 0 56 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.911 110.1 43.3 -62.7 -41.2 92.9 24.0 5.3 86 86 A R H >X S+ 0 0 60 -4,-1.1 4,-0.8 -3,-0.2 3,-0.7 0.840 112.0 51.9 -73.2 -36.4 89.9 25.2 7.3 87 87 A I H 3X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.786 105.7 56.5 -69.2 -30.0 88.0 22.0 6.7 88 88 A S H 3< S+ 0 0 30 -4,-1.8 -1,-0.2 1,-0.2 33,-0.2 -0.285 106.0 51.4 -98.3 43.1 91.1 19.9 8.0 89 89 A Q H <4 S+ 0 0 100 -3,-0.7 3,-0.2 -2,-0.1 -1,-0.2 0.286 115.6 38.5-144.0 -28.6 91.0 21.9 11.3 90 90 A L H >< S+ 0 0 26 -4,-0.8 3,-1.9 1,-0.3 2,-1.6 0.793 111.1 60.3 -92.7 -41.2 87.3 21.2 11.9 91 91 A L T 3< S+ 0 0 21 -4,-2.3 30,-0.4 1,-0.3 -1,-0.3 -0.799 99.3 60.2 -88.4 83.5 87.6 17.7 10.6 92 92 A D T 3 S+ 0 0 41 -2,-1.6 -1,-0.3 -3,-0.2 -2,-0.1 -0.001 102.0 48.8 170.0 -12.7 90.1 17.2 13.4 93 93 A I S < S+ 0 0 69 -3,-1.9 2,-0.3 31,-0.1 -2,-0.1 -0.152 108.9 66.5-130.0 37.5 87.6 17.9 16.2 94 94 A H S S- 0 0 25 52,-0.1 30,-0.8 54,-0.1 2,-0.4 -0.957 75.2-128.3-150.2 152.7 85.0 15.6 14.8 95 95 A E - 0 0 59 -2,-0.3 2,-1.7 50,-0.2 30,-0.1 -0.972 21.1-121.3-120.4 137.6 84.7 11.8 14.2 96 96 A F + 0 0 195 -2,-0.4 3,-0.1 1,-0.2 -5,-0.0 -0.496 63.9 134.1 -67.0 83.3 83.8 9.9 10.9 97 97 A K > + 0 0 65 -2,-1.7 4,-0.5 1,-0.1 -1,-0.2 -0.294 8.9 144.0-131.8 44.7 80.8 8.3 12.5 98 98 A C T >4 + 0 0 37 1,-0.2 3,-1.2 2,-0.2 6,-0.4 0.901 60.8 68.5 -65.7 -37.9 78.2 8.8 9.7 99 99 A G T 34 S+ 0 0 53 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 -0.991 110.9 22.7-104.1 121.6 76.6 5.4 10.4 100 100 A P T 34 S+ 0 0 99 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 -0.581 99.0 117.8-101.5 53.5 75.2 5.6 13.2 101 101 A C X< - 0 0 22 -3,-1.2 3,-1.0 -4,-0.5 4,-0.2 -0.529 61.7-137.8 -77.2 140.1 74.9 9.4 13.1 102 102 A N T 3 S+ 0 0 85 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 0.610 104.2 49.1 -71.8 -8.9 71.4 10.9 13.1 103 103 A R T > S+ 0 0 13 1,-0.1 3,-1.0 2,-0.1 -1,-0.2 0.379 75.5 105.6-110.0 6.7 72.6 13.4 10.5 104 104 A R G X S+ 0 0 131 -3,-1.0 3,-0.6 -6,-0.4 4,-0.1 0.817 80.2 49.8 -57.9 -37.9 74.3 11.1 7.8 105 105 A E G 3 S+ 0 0 131 1,-0.2 -1,-0.2 -4,-0.2 -2,-0.1 0.654 131.1 17.2 -76.8 -17.7 71.6 11.3 5.2 106 106 A N G < S+ 0 0 59 -3,-1.0 -1,-0.2 -4,-0.0 -2,-0.2 -0.248 86.7 137.0-145.1 52.7 71.3 15.1 5.3 107 107 A C < - 0 0 17 -3,-0.6 406,-0.1 1,-0.1 -3,-0.1 0.967 40.7-154.5 -71.1 -84.4 74.5 16.3 7.0 108 108 A E S > S+ 0 0 33 -4,-0.1 4,-0.7 405,-0.1 94,-0.1 -0.279 92.5 54.3 132.7 -40.4 76.2 19.4 5.4 109 109 A F T 4 S+ 0 0 4 92,-0.5 4,-0.3 2,-0.2 3,-0.1 0.855 104.8 53.9 -85.0 -42.3 79.7 18.7 6.7 110 110 A L T > S+ 0 0 53 1,-0.2 4,-1.7 2,-0.2 3,-0.5 0.798 106.7 53.8 -59.0 -33.6 79.7 15.2 5.1 111 111 A K H > S+ 0 0 117 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.895 110.3 46.1 -67.6 -40.7 78.8 16.8 1.8 112 112 A L H X S+ 0 0 13 -4,-0.7 4,-0.6 2,-0.2 -1,-0.2 0.356 106.2 60.7 -82.1 -2.5 81.8 19.1 2.1 113 113 A V H >>S+ 0 0 36 -3,-0.5 5,-2.2 -4,-0.3 4,-1.6 0.891 112.3 35.7 -84.2 -55.8 84.0 16.3 3.0 114 114 A I H <5S+ 0 0 122 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.670 116.8 56.7 -71.4 -18.6 83.4 14.3 -0.2 115 115 A K H <5S+ 0 0 90 -4,-1.1 -1,-0.2 1,-0.1 -3,-0.2 0.939 121.5 25.1 -74.9 -51.3 83.2 17.6 -2.2 116 116 A Y H <5S- 0 0 34 -4,-0.6 -2,-0.2 -5,-0.1 -1,-0.1 0.520 105.4-121.0 -92.3 -2.3 86.6 18.9 -1.2 117 117 A K T <5 - 0 0 161 -4,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.959 43.8-162.3 51.8 53.6 88.1 15.4 -0.5 118 118 A A < - 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p 0 497G 3 -19,-2.6 4,-0.2 -2,-0.7 28,-0.1 -0.783 61.8 -6.2 -97.0 88.0 54.3 34.9 15.8 473 473 A G S >> S- 0 0 0 24,-1.7 3,-0.8 -2,-0.9 4,-0.7 0.167 79.0 -93.1 100.9 143.1 57.6 33.8 17.5 474 474 A A H 3> S+ 0 0 0 24,-1.7 4,-1.6 1,-0.3 -313,-0.2 0.723 119.0 60.2 -64.6 -27.1 59.1 34.5 20.9 475 475 A S H 3> S+ 0 0 16 -315,-1.7 4,-2.0 23,-0.2 -1,-0.3 0.881 104.5 52.0 -66.5 -37.1 61.2 37.4 19.8 476 476 A N H <> S+ 0 0 23 -3,-0.8 4,-2.5 -316,-0.3 -1,-0.2 0.663 102.1 58.7 -71.3 -21.9 58.0 39.2 18.8 477 477 A L H X S+ 0 0 0 -4,-0.7 4,-2.4 -3,-0.2 5,-0.2 0.934 108.5 46.6 -69.7 -46.5 56.5 38.5 22.3 478 478 A F H X S+ 0 0 8 -4,-1.6 4,-2.4 1,-0.2 5,-0.3 0.910 113.6 47.8 -58.2 -45.5 59.4 40.4 23.7 479 479 A K H X S+ 0 0 118 -4,-2.0 4,-1.9 2,-0.2 6,-0.4 0.940 111.5 52.2 -60.5 -44.7 58.8 43.2 21.1 480 480 A F H <>S+ 0 0 1 -4,-2.5 5,-1.5 1,-0.2 6,-1.2 0.911 118.3 34.1 -55.1 -51.7 55.1 43.2 21.9 481 481 A M H ><5S+ 0 0 27 -4,-2.4 3,-1.3 3,-0.2 -2,-0.2 0.940 117.9 48.9 -72.1 -55.4 55.5 43.6 25.6 482 482 A K H 3<5S+ 0 0 152 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.788 110.6 51.7 -59.9 -33.3 58.6 45.8 25.8 483 483 A S T 3<5S- 0 0 68 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.609 110.4-121.8 -79.3 -12.9 57.3 48.3 23.3 484 484 A G T X 5S+ 0 0 24 -3,-1.3 3,-1.3 -4,-0.3 -3,-0.2 0.688 71.8 133.8 79.3 15.9 54.0 48.7 25.2 485 485 A M G > < + 0 0 55 -5,-1.5 3,-1.8 -6,-0.4 4,-0.2 0.852 66.5 68.8 -62.7 -30.0 51.9 47.6 22.2 486 486 A I G 3 S+ 0 0 28 -6,-1.2 5,-0.4 1,-0.3 3,-0.3 0.739 100.7 48.1 -55.9 -25.8 50.1 45.4 24.8 487 487 A N G < S+ 0 0 131 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.216 80.6 91.6-104.7 8.0 48.8 48.7 26.2 488 488 A E S < S- 0 0 142 -3,-1.8 2,-0.3 1,-0.2 -1,-0.2 0.522 107.6 -10.1 -79.4 -6.7 47.5 50.5 23.0 489 489 A K S S- 0 0 78 -3,-0.3 2,-0.8 -4,-0.2 -1,-0.2 -0.948 87.8 -80.3-174.2 168.2 44.1 48.9 23.7 490 490 A Q - 0 0 105 -2,-0.3 -23,-0.4 -3,-0.1 2,-0.3 -0.802 46.1-153.2 -85.7 110.7 42.5 46.3 25.9 491 491 A Y - 0 0 14 -2,-0.8 -23,-0.2 -5,-0.4 3,-0.1 -0.664 15.0-174.4 -83.9 142.4 43.3 43.0 24.4 492 492 A H S S+ 0 0 22 -25,-2.9 -197,-2.5 1,-0.3 2,-0.4 0.802 70.7 16.5-105.1 -42.0 40.8 40.2 25.1 493 493 A F E -mp 295 468G 1 -26,-1.3 -24,-1.6 -199,-0.2 2,-0.4 -0.996 62.7-175.0-138.8 130.5 42.5 37.1 23.5 494 494 A I E -mp 296 469G 0 -199,-2.6 -197,-2.0 -2,-0.4 2,-0.4 -0.982 10.5-156.4-130.0 121.6 46.2 36.7 22.5 495 495 A E E - p 0 470G 0 -26,-2.3 -24,-3.1 -2,-0.4 2,-0.4 -0.786 15.1-172.1 -89.1 132.4 47.7 33.7 20.7 496 496 A V E - p 0 471G 0 -2,-0.4 2,-0.4 -26,-0.2 -196,-0.3 -0.996 8.5-178.4-130.1 127.5 51.5 33.2 21.2 497 497 A M E - p 0 472G 7 -26,-2.1 -24,-1.7 -2,-0.4 -20,-0.1 -0.964 20.8-148.1-116.8 144.1 53.7 30.7 19.4 498 498 A A S S+ 0 0 2 -2,-0.4 -24,-1.7 -25,-0.2 2,-0.4 0.728 80.4 67.6 -79.8 -26.9 57.4 30.4 20.2 499 499 A C S > S- 0 0 12 -26,-0.2 3,-1.9 -25,-0.1 2,-0.3 -0.853 90.4-114.3-102.3 135.1 58.5 29.4 16.7 500 500 A H T 3 S+ 0 0 35 -2,-0.4 -27,-0.1 1,-0.3 -49,-0.1 -0.499 107.0 21.5 -68.4 124.0 58.2 31.8 13.8 501 501 A G T 3 S- 0 0 2 -2,-0.3 -81,-1.4 -51,-0.2 3,-0.4 0.118 121.3-101.6 98.5 -14.6 55.6 30.4 11.3 502 502 A G S X S- 0 0 1 -3,-1.9 3,-1.7 -83,-0.3 -83,-0.2 -0.584 71.6 -26.2 96.8-160.7 54.1 28.4 14.1 503 503 A C G > S+ 0 0 41 -86,-0.3 3,-1.7 1,-0.3 -84,-0.2 0.657 124.7 73.7 -64.0 -19.3 54.5 24.7 14.8 504 504 A V G 3 S+ 0 0 0 -86,-1.8 -1,-0.3 -3,-0.4 -2,-0.1 0.800 104.5 40.9 -67.4 -22.3 55.2 23.9 11.2 505 505 A N G < S+ 0 0 23 -3,-1.7 -1,-0.3 -87,-0.2 -2,-0.2 0.037 94.8 141.0-107.0 27.1 58.6 25.6 11.8 506 506 A G X - 0 0 1 -3,-1.7 3,-1.0 -7,-0.1 -151,-0.2 0.017 65.8 -99.8 -64.8 175.6 59.0 23.9 15.3 507 507 A G T 3 S+ 0 0 0 -314,-0.9 -152,-0.3 1,-0.2 -313,-0.1 0.653 116.2 52.8 -75.2 -20.8 62.2 22.4 16.8 508 508 A G T 3 S+ 0 0 0 -154,-2.3 -126,-1.3 -315,-0.1 -127,-0.7 0.190 88.0 117.2 -97.8 15.1 61.6 18.7 16.0 509 509 A Q S < S- 0 0 0 -3,-1.0 -4,-0.1 -155,-0.6 -276,-0.0 -0.328 75.8 -77.9 -82.5 160.9 61.0 19.3 12.3 510 510 A P - 0 0 3 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.334 44.8-120.4 -57.6 131.5 63.0 18.1 9.2 511 511 A H - 0 0 23 1,-0.1 -312,-0.1 -3,-0.1 -313,-0.1 -0.446 22.7-151.9 -65.3 148.6 66.2 20.0 8.5 512 512 A V - 0 0 24 -314,-0.3 4,-0.2 -2,-0.1 -1,-0.1 0.821 21.3-120.7-104.3 -25.6 66.0 21.6 5.0 513 513 A N >> - 0 0 58 3,-0.1 3,-1.4 2,-0.1 4,-1.4 0.711 30.6-107.9 78.6 115.3 69.6 22.0 3.4 514 514 A P H 3> S+ 0 0 25 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.596 115.4 62.7 -54.4 -19.3 70.3 25.7 2.6 515 515 A K H 3> S+ 0 0 70 2,-0.2 4,-0.8 1,-0.2 3,-0.4 0.931 112.9 36.3 -67.3 -46.2 70.0 25.2 -1.2 516 516 A D H <> S+ 0 0 62 -3,-1.4 4,-2.0 -4,-0.2 -1,-0.2 0.685 111.4 63.2 -77.5 -20.6 66.4 24.3 -0.8 517 517 A L H < S+ 0 0 72 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.709 102.0 50.2 -78.3 -17.8 66.0 26.7 2.1 518 518 A E H < S+ 0 0 116 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.813 117.4 38.0 -85.8 -32.0 66.7 29.6 -0.3 519 519 A K H < S+ 0 0 156 -4,-0.8 2,-0.4 -5,-0.1 -2,-0.2 0.806 110.3 63.8 -88.1 -36.6 64.2 28.6 -2.9 520 520 A V < - 0 0 37 -4,-2.0 2,-1.3 -5,-0.1 3,-0.1 -0.798 68.2-143.1-101.6 132.5 61.4 27.3 -0.7 521 521 A D > - 0 0 78 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 -0.764 25.5-172.2 -88.1 91.0 59.3 29.3 1.8 522 522 A I H > S+ 0 0 10 -2,-1.3 4,-2.1 1,-0.2 5,-0.3 0.844 77.3 49.5 -54.8 -46.5 59.1 26.5 4.3 523 523 A K H > S+ 0 0 65 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.883 114.2 45.9 -65.8 -41.3 56.6 28.1 6.7 524 524 A K H > S+ 0 0 132 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.936 116.2 43.5 -66.4 -48.2 54.2 29.0 3.9 525 525 A V H X S+ 0 0 35 -4,-2.5 4,-0.7 2,-0.2 -2,-0.2 0.777 114.0 48.4 -74.7 -30.9 54.3 25.6 2.1 526 526 A R H >X S+ 0 0 3 -4,-2.1 3,-0.7 -5,-0.2 4,-0.7 0.928 114.5 47.4 -72.3 -40.9 54.1 23.4 5.2 527 527 A A H >X S+ 0 0 11 -4,-1.6 4,-2.0 -5,-0.3 3,-0.5 0.788 99.0 67.3 -70.1 -27.4 51.1 25.5 6.5 528 528 A S H 3X S+ 0 0 44 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.834 94.0 60.2 -64.5 -28.9 49.3 25.4 3.1 529 529 A V H < S+ 0 0 1 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.909 109.7 51.3 -57.5 -46.7 40.4 22.9 6.5 535 535 A E H 3< S+ 0 0 105 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.796 115.1 40.6 -59.1 -37.1 38.9 24.1 3.2 536 536 A H H 3< S+ 0 0 152 -4,-1.5 -1,-0.2 -3,-0.3 2,-0.2 0.508 93.9 103.5 -94.3 -6.5 38.1 20.6 2.0 537 537 A L << - 0 0 48 -4,-1.0 -126,-0.1 -3,-0.5 3,-0.1 -0.539 62.6-150.5 -75.0 141.3 36.9 19.5 5.4 538 538 A S S S+ 0 0 115 -2,-0.2 2,-0.5 1,-0.1 -1,-0.1 0.809 89.2 50.7 -81.8 -34.2 33.1 19.2 5.8 539 539 A K + 0 0 75 -129,-0.2 -127,-2.3 1,-0.1 -1,-0.1 -0.928 61.5 166.3 -99.3 121.0 33.2 20.0 9.6 540 540 A R + 0 0 42 -2,-0.5 2,-0.4 -129,-0.3 -1,-0.1 0.136 52.9 78.1-124.2 23.1 35.3 23.2 10.2 541 541 A K S > S- 0 0 9 1,-0.1 3,-1.4 -129,-0.1 4,-0.4 -0.994 74.5-135.2-129.4 134.6 34.4 23.9 13.8 542 542 A S G > S+ 0 0 0 -2,-0.4 3,-1.4 -116,-0.3 6,-0.1 0.883 104.2 55.6 -56.4 -41.0 35.8 22.0 16.8 543 543 A H G 3 S+ 0 0 30 1,-0.2 -1,-0.3 -267,-0.1 6,-0.0 0.600 99.4 63.0 -72.8 -7.0 32.4 21.6 18.5 544 544 A E G < + 0 0 52 -3,-1.4 2,-0.3 4,-0.1 -1,-0.2 0.541 69.9 120.6 -90.2 -9.0 31.0 19.9 15.4 545 545 A N <> - 0 0 0 -3,-1.4 4,-2.6 -4,-0.4 5,-0.2 -0.429 56.7-150.2 -59.4 116.8 33.4 16.9 15.6 546 546 A T H > S+ 0 0 64 -2,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.854 94.2 46.3 -61.9 -39.4 31.1 13.9 15.9 547 547 A A H > S+ 0 0 9 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.808 114.2 49.4 -72.2 -30.9 33.6 11.8 18.0 548 548 A L H >> S+ 0 0 0 2,-0.2 4,-2.0 -3,-0.1 3,-0.5 0.907 107.0 54.9 -72.3 -46.5 34.3 14.8 20.3 549 549 A V H 3X S+ 0 0 46 -4,-2.6 4,-1.8 1,-0.3 -2,-0.2 0.891 109.8 45.7 -59.9 -45.6 30.6 15.5 20.9 550 550 A K H 3X S+ 0 0 104 -4,-1.6 4,-1.7 2,-0.2 -1,-0.3 0.693 107.9 56.8 -76.4 -13.9 29.9 12.0 22.1 551 551 A M H S+ 0 0 0 -4,-0.7 4,-1.9 -3,-0.5 5,-1.2 0.933 112.4 43.4 -69.8 -47.0 33.0 11.9 24.4 552 552 A Y H <>S+ 0 0 9 -4,-2.0 5,-2.7 3,-0.2 -2,-0.2 0.807 117.3 45.5 -66.5 -31.9 31.7 15.0 26.1 553 553 A Q H <5S+ 0 0 137 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.899 122.0 34.8 -80.4 -37.3 28.1 13.7 26.2 554 554 A N H <5S+ 0 0 124 -4,-1.7 -2,-0.2 -5,-0.1 -3,-0.2 0.630 138.1 6.8 -90.7 -12.8 28.9 10.2 27.5 555 555 A Y T <5S+ 0 0 48 -4,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.693 127.2 31.3-136.8 -52.2 31.9 11.0 29.7 556 556 A F T S- 0 0 145 -6,-0.2 3,-1.4 2,-0.1 6,-0.4 0.893 85.3 -88.1 47.1 117.6 29.8 20.2 29.1 559 559 A P T 3 S+ 0 0 20 0, 0.0 -281,-0.1 0, 0.0 3,-0.1 -0.119 105.0 9.8 -48.4 136.6 33.0 22.2 28.5 560 560 A G T 3 S+ 0 0 10 1,-0.2 2,-0.3 4,-0.1 -2,-0.1 0.435 111.3 93.8 72.3 5.0 34.6 24.2 31.3 561 561 A E S X> S- 0 0 108 -3,-1.4 3,-1.6 -4,-0.2 4,-0.6 -0.909 85.6 -29.2-131.2 156.3 32.3 22.6 34.0 562 562 A G H 3> S+ 0 0 54 -2,-0.3 4,-2.0 1,-0.3 -5,-0.1 -0.199 130.6 8.1 47.9-110.8 32.3 19.8 36.5 563 563 A R H 3> S+ 0 0 107 -7,-0.4 4,-1.9 -6,-0.2 5,-0.4 0.850 132.3 53.0 -69.5 -36.1 34.4 16.9 35.2 564 564 A A H <> S+ 0 0 0 -3,-1.6 4,-1.1 -8,-0.8 -2,-0.2 0.851 112.0 47.0 -67.7 -33.5 35.8 18.8 32.2 565 565 A H H < S+ 0 0 105 -4,-0.6 4,-0.3 -9,-0.2 -2,-0.2 0.918 111.6 50.1 -73.0 -44.1 37.0 21.6 34.6 566 566 A E H < S+ 0 0 129 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.958 126.2 16.2 -66.0 -49.8 38.6 19.3 37.2 567 567 A I H < S+ 0 0 22 -4,-1.9 -1,-0.2 1,-0.2 -3,-0.1 0.640 115.9 61.2-104.7 -10.9 40.8 17.0 35.0 568 568 A L S < S+ 0 0 0 -4,-1.1 -246,-1.9 -5,-0.4 2,-0.3 0.266 95.5 74.4 -99.0 16.5 41.2 18.7 31.5 569 569 A H B -Q 321 0H 28 -4,-0.3 2,-0.3 -3,-0.3 -248,-0.2 -0.824 51.6-170.5-126.2 164.1 42.9 21.8 32.8 570 570 A F - 0 0 32 -250,-2.8 2,-0.4 -2,-0.3 -3,-0.0 -0.922 4.4-165.7-156.1 124.0 46.2 23.0 34.1 571 571 A K - 0 0 113 -2,-0.3 2,-0.4 -249,-0.0 -255,-0.1 -0.913 15.0-140.0-111.5 140.1 47.2 26.3 35.8 572 572 A Y + 0 0 16 -257,-0.5 -254,-0.1 -2,-0.4 -2,-0.0 -0.809 20.1 176.2 -97.8 139.2 50.7 27.4 36.3 573 573 A K 0 0 189 -2,-0.4 -1,-0.1 -257,-0.0 -257,-0.1 0.438 360.0 360.0-117.9 -6.6 51.7 29.2 39.5 574 574 A K 0 0 185 -259,-0.1 -2,-0.1 0, 0.0 -259,-0.0 0.285 360.0 360.0-159.1 360.0 55.4 29.5 38.9