==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 26-FEB-09 3GF3 . COMPND 2 MOLECULE: GLUTACONYL-COA DECARBOXYLASE SUBUNIT A; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM SYMBIOSUM; . AUTHOR D.KRESS,D.BRUGEL,W.BUCKEL,L.-O.ESSEN . 563 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25309.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 394 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 5.9 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 . 2 0.4 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 . 26 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 179 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.8 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 5 1 2 1 2 0 0 2 2 1 0 4 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 3 3 3 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 . 2 1 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 1 0 0 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 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 3 A M 0 0 217 0, 0.0 2,-0.3 0, 0.0 283,-0.1 0.000 360.0 360.0 360.0 47.0 6.6 28.0 -19.6 2 4 A Y - 0 0 50 281,-0.1 2,-0.1 283,-0.0 281,-0.1 -0.947 360.0-100.9-133.0 153.3 5.3 24.4 -20.2 3 5 A S S S- 0 0 46 279,-0.4 5,-0.2 -2,-0.3 4,-0.1 -0.470 91.3 -5.0 -70.4 142.0 6.8 21.1 -21.1 4 6 A M >> + 0 0 39 -2,-0.1 4,-2.3 1,-0.1 3,-1.8 0.810 58.4 179.6 51.4 55.9 6.7 19.7 -24.6 5 7 A P H 3> S+ 0 0 61 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.815 79.7 69.3 -55.4 -29.0 4.5 22.3 -26.5 6 8 A G H 34 S+ 0 0 64 1,-0.2 -2,-0.1 2,-0.2 -3,-0.0 0.770 113.0 27.1 -58.3 -29.5 5.1 20.1 -29.6 7 9 A Y H <4 S+ 0 0 60 -3,-1.8 -1,-0.2 -4,-0.1 -3,-0.1 0.782 132.6 32.5 -96.8 -38.1 2.9 17.4 -28.0 8 10 A F H < S+ 0 0 2 -4,-2.3 2,-0.3 -5,-0.2 3,-0.3 0.554 107.4 62.5-107.7 -13.4 0.6 19.4 -25.7 9 11 A Q S < S+ 0 0 46 -4,-2.3 275,-0.1 -5,-0.3 -5,-0.0 -0.834 101.6 20.0-113.7 155.7 0.0 22.8 -27.5 10 12 A N S S+ 0 0 140 -2,-0.3 -1,-0.2 1,-0.1 3,-0.1 0.896 81.2 175.0 53.9 42.3 -1.6 23.5 -30.8 11 13 A M - 0 0 11 -3,-0.3 313,-0.1 1,-0.2 -1,-0.1 -0.340 47.3 -72.5 -64.3 159.4 -3.3 20.1 -30.7 12 14 A P - 0 0 81 0, 0.0 311,-2.5 0, 0.0 2,-0.3 -0.261 54.1-132.7 -50.5 141.2 -5.7 19.4 -33.6 13 15 A T B -A 322 0A 86 309,-0.2 2,-0.3 -3,-0.1 309,-0.2 -0.776 24.0-166.1-101.3 149.5 -8.9 21.4 -33.2 14 16 A I + 0 0 31 307,-2.6 298,-0.0 -2,-0.3 0, 0.0 -0.793 36.0 47.7-131.0 169.5 -12.4 19.9 -33.6 15 17 A G - 0 0 29 -2,-0.3 2,-0.3 2,-0.0 297,-0.1 0.101 58.6-120.5 83.4 162.5 -16.0 20.9 -34.0 16 18 A K - 0 0 156 296,-0.0 3,-0.1 275,-0.0 -2,-0.0 -0.968 33.5 -85.3-139.2 151.0 -17.8 23.4 -36.3 17 19 A E - 0 0 157 -2,-0.3 2,-0.5 1,-0.1 274,-0.1 -0.254 57.2-101.3 -50.2 140.4 -19.9 26.5 -35.8 18 20 A L + 0 0 42 1,-0.2 -1,-0.1 -3,-0.0 281,-0.0 -0.619 46.0 171.9 -75.1 118.7 -23.6 25.5 -35.4 19 21 A V + 0 0 136 -2,-0.5 -1,-0.2 1,-0.2 -2,-0.0 0.746 69.0 44.4 -99.9 -30.3 -25.4 26.0 -38.7 20 22 A N S S- 0 0 54 2,-0.0 -1,-0.2 0, 0.0 2,-0.1 -0.767 73.9-165.7-120.2 85.8 -28.7 24.4 -38.0 21 23 A P - 0 0 91 0, 0.0 274,-0.0 0, 0.0 277,-0.0 -0.383 9.2-148.4 -67.2 146.6 -30.1 25.4 -34.5 22 24 A N > + 0 0 72 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.805 17.0 179.0-123.6 88.4 -33.0 23.3 -33.2 23 25 A P H > S+ 0 0 99 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.818 83.5 52.7 -57.7 -37.0 -35.4 25.4 -31.0 24 26 A E H > S+ 0 0 100 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.912 110.3 47.6 -67.2 -42.9 -37.7 22.5 -30.3 25 27 A N H > S+ 0 0 9 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.926 112.2 50.1 -61.7 -46.9 -34.9 20.3 -29.1 26 28 A E H X S+ 0 0 44 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.897 109.9 50.8 -56.9 -44.3 -33.5 23.1 -26.9 27 29 A Q H X S+ 0 0 126 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.902 109.9 50.0 -62.1 -42.3 -37.0 23.6 -25.4 28 30 A E H X S+ 0 0 74 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.929 112.7 45.7 -63.4 -46.8 -37.3 19.9 -24.6 29 31 A I H >X S+ 0 0 0 -4,-2.4 4,-2.3 268,-0.2 3,-0.5 0.947 113.0 50.5 -60.4 -48.5 -33.9 19.7 -22.9 30 32 A K H 3X S+ 0 0 73 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.791 102.8 60.7 -64.2 -27.4 -34.6 22.9 -20.9 31 33 A A H 3X S+ 0 0 61 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.893 108.0 44.4 -64.6 -40.4 -38.0 21.5 -19.8 32 34 A V H - 0 0 40 -2,-0.7 4,-2.6 1,-0.1 5,-0.2 -0.245 28.0-106.7 -73.5 165.7 -38.2 27.9 7.5 51 53 A E H > S+ 0 0 73 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.901 122.4 52.9 -56.6 -43.0 -35.0 29.8 6.6 52 54 A E H > S+ 0 0 129 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.944 109.3 47.7 -59.4 -49.4 -36.5 32.9 8.1 53 55 A K H > S+ 0 0 93 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.908 112.1 50.0 -58.8 -45.2 -37.4 31.2 11.4 54 56 A L H <>S+ 0 0 5 -4,-2.6 5,-2.5 2,-0.2 3,-0.4 0.953 111.0 49.4 -55.0 -52.4 -33.8 29.7 11.6 55 57 A N H ><5S+ 0 0 63 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.885 109.0 51.5 -57.2 -43.3 -32.3 33.2 11.0 56 58 A E H 3<5S+ 0 0 141 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.836 109.0 52.2 -63.2 -31.4 -34.5 34.8 13.7 57 59 A R T 3<5S- 0 0 172 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.402 128.8 -96.7 -87.3 1.8 -33.4 32.1 16.1 58 60 A G T < 5S+ 0 0 48 -3,-1.3 2,-0.3 -4,-0.3 201,-0.3 0.691 86.8 112.5 93.8 22.5 -29.7 32.8 15.4 59 61 A Q < - 0 0 46 -5,-2.5 -1,-0.3 -6,-0.1 2,-0.2 -0.953 53.9-141.1-127.5 145.6 -29.0 30.1 12.8 60 62 A L - 0 0 34 -2,-0.3 53,-0.1 1,-0.1 2,-0.1 -0.664 28.7-115.0 -91.4 158.2 -28.2 30.0 9.1 61 63 A S > - 0 0 2 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.340 33.5 -96.9 -81.2 172.0 -29.6 27.4 6.8 62 64 A A H > S+ 0 0 4 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.943 126.0 44.7 -53.5 -52.1 -27.5 24.7 4.9 63 65 A M H > S+ 0 0 38 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.867 111.3 53.0 -66.1 -36.7 -27.4 26.8 1.7 64 66 A Q H > S+ 0 0 48 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.898 112.1 46.2 -62.8 -40.3 -26.6 30.0 3.6 65 67 A R H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.927 114.3 47.1 -67.6 -45.2 -23.7 28.3 5.3 66 68 A I H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 3,-0.3 0.949 112.6 49.1 -61.3 -49.5 -22.5 26.8 2.0 67 69 A N H < S+ 0 0 97 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.820 110.2 51.8 -61.5 -31.4 -22.8 30.1 0.2 68 70 A A H < S+ 0 0 27 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.857 113.3 45.6 -69.8 -35.7 -20.9 31.9 3.0 69 71 A L H < S+ 0 0 0 -4,-1.8 -2,-0.2 -3,-0.3 -1,-0.2 0.882 103.8 69.6 -74.2 -43.0 -18.1 29.3 2.8 70 72 A I S < S- 0 0 15 -4,-2.3 31,-0.2 -5,-0.1 3,-0.1 -0.360 84.3-102.2 -92.4 158.8 -17.5 29.0 -1.0 71 73 A D > - 0 0 29 29,-3.4 3,-1.7 1,-0.1 29,-0.3 -0.551 58.5 -90.7 -67.1 132.9 -16.1 31.2 -3.8 72 74 A P T 3 S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.177 108.9 13.9 -49.1 134.6 -19.0 32.7 -5.8 73 75 A G T 3 S+ 0 0 89 -3,-0.1 -2,-0.0 1,-0.1 26,-0.0 0.459 98.5 100.8 82.0 3.8 -20.0 30.5 -8.8 74 76 A T < + 0 0 11 -3,-1.7 2,-0.4 26,-0.2 -3,-0.1 0.406 42.1 123.6-104.9 3.6 -18.2 27.4 -7.7 75 77 A W + 0 0 43 -4,-0.2 24,-0.2 24,-0.1 -8,-0.0 -0.519 30.4 176.3 -71.2 119.9 -21.0 25.3 -6.2 76 78 A C E -B 98 0B 5 22,-2.8 22,-2.3 -2,-0.4 -1,-0.1 -0.788 17.0-159.3-123.2 84.3 -21.3 21.9 -7.8 77 79 A P E -B 97 0B 23 0, 0.0 2,-0.3 0, 0.0 20,-0.3 -0.270 6.3-166.1 -65.8 149.9 -24.1 20.1 -5.9 78 80 A L E +B 96 0B 2 18,-2.9 18,-0.6 1,-0.1 443,-0.2 -0.974 68.0 12.5-133.3 148.2 -24.4 16.3 -6.0 79 81 A N S > S+ 0 0 4 441,-1.6 3,-0.9 -2,-0.3 13,-0.3 0.754 72.7 153.3 59.5 27.0 -27.3 14.1 -4.9 80 82 A S T 3 S+ 0 0 27 1,-0.3 12,-0.2 440,-0.3 441,-0.1 0.908 80.8 26.2 -50.9 -46.9 -29.6 17.1 -4.7 81 83 A L T 3 S+ 0 0 9 439,-0.3 -1,-0.3 10,-0.1 2,-0.2 0.251 87.3 138.3-104.7 9.5 -32.6 15.0 -5.4 82 84 A F < + 0 0 3 -3,-0.9 10,-0.3 438,-0.2 433,-0.2 -0.402 12.2 143.1 -58.9 124.6 -31.2 11.7 -4.1 83 85 A N > + 0 0 15 432,-3.1 3,-2.0 431,-0.2 -1,-0.1 -0.272 11.6 165.0-163.9 61.8 -34.0 10.1 -2.1 84 86 A P T 3 S+ 0 0 31 0, 0.0 39,-0.1 0, 0.0 432,-0.1 0.764 80.1 49.3 -62.9 -26.7 -34.0 6.3 -2.5 85 87 A E T 3 S- 0 0 91 37,-0.3 38,-0.1 36,-0.0 431,-0.1 0.255 111.0-117.5 -98.8 9.2 -36.3 5.7 0.4 86 88 A N < - 0 0 115 -3,-2.0 2,-0.1 429,-0.2 37,-0.1 0.882 37.3-169.3 59.0 46.3 -39.0 8.2 -0.7 87 89 A N > - 0 0 30 35,-0.2 3,-1.7 4,-0.1 -1,-0.1 -0.395 31.7-112.9 -61.5 145.4 -38.8 10.6 2.3 88 90 A K T 3 S+ 0 0 187 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.791 112.1 47.5 -60.1 -34.8 -41.7 13.1 2.2 89 91 A F T 3 S- 0 0 76 2,-0.2 -1,-0.3 -43,-0.1 -43,-0.2 0.455 113.7-112.1 -90.5 0.4 -39.7 16.3 1.5 90 92 A G S < S+ 0 0 22 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.557 79.2 88.3 91.5 10.3 -37.6 14.7 -1.3 91 93 A T S S- 0 0 13 -48,-0.1 -1,-0.3 -8,-0.1 -2,-0.2 -0.840 76.3-123.5-136.9 171.6 -34.2 14.6 0.4 92 94 A T - 0 0 2 2,-0.4 29,-0.5 -10,-0.3 3,-0.1 0.144 62.9-107.3 -97.7 13.9 -31.7 12.7 2.6 93 95 A N S S+ 0 0 2 1,-0.2 19,-2.6 27,-0.1 2,-0.3 0.649 91.4 90.3 67.5 16.7 -31.5 15.8 4.9 94 96 A I E - C 0 111B 14 17,-0.2 2,-0.5 -14,-0.1 -2,-0.4 -0.970 64.2-144.0-132.7 155.3 -28.0 16.8 3.8 95 97 A V E + C 0 110B 15 15,-2.4 15,-2.9 -2,-0.3 2,-0.3 -0.984 32.8 171.8-115.1 127.7 -26.8 19.1 1.1 96 98 A N E +BC 78 109B 2 -18,-0.6 -18,-2.9 -2,-0.5 2,-0.3 -0.949 13.0 93.7-139.7 157.5 -23.5 17.9 -0.6 97 99 A G E -BC 77 108B 0 11,-1.8 11,-3.2 -2,-0.3 2,-0.4 -0.954 64.6 -47.5 157.5-167.8 -21.1 18.5 -3.4 98 100 A L E +BC 76 107B 2 -22,-2.3 -22,-2.8 -2,-0.3 2,-0.3 -0.763 48.8 167.9 -97.0 139.0 -17.9 20.3 -4.5 99 101 A G E - C 0 106B 0 7,-2.1 7,-2.6 -2,-0.4 2,-0.4 -0.975 28.9-124.2-143.5 159.3 -17.1 23.9 -3.7 100 102 A R E - C 0 105B 79 -29,-0.3 -29,-3.4 -2,-0.3 2,-0.5 -0.870 16.3-165.5-108.7 138.3 -14.0 26.1 -3.9 101 103 A V E > S- C 0 104B 5 3,-2.9 3,-2.2 -2,-0.4 -31,-0.1 -0.957 76.6 -29.7-127.5 109.9 -12.6 28.0 -0.9 102 104 A D T 3 S- 0 0 141 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.885 129.6 -44.4 43.1 45.9 -10.1 30.7 -1.7 103 105 A G T 3 S+ 0 0 44 1,-0.2 2,-0.6 0, 0.0 -1,-0.3 0.225 117.4 112.0 92.8 -12.3 -9.0 28.7 -4.8 104 106 A K E < -C 101 0B 38 -3,-2.2 -3,-2.9 171,-0.0 -1,-0.2 -0.846 62.5-134.9-101.0 122.7 -8.9 25.3 -3.0 105 107 A W E +C 100 0B 12 -2,-0.6 2,-0.3 -5,-0.3 -5,-0.2 -0.495 30.3 173.7 -71.7 138.8 -11.5 22.7 -3.9 106 108 A V E -C 99 0B 1 -7,-2.6 -7,-2.1 -2,-0.2 2,-0.5 -0.963 34.0-116.5-140.1 156.9 -13.1 20.8 -1.0 107 109 A Y E -Cd 98 142B 2 34,-2.9 36,-3.3 -2,-0.3 2,-0.4 -0.865 36.7-155.7 -94.3 131.7 -16.0 18.3 -0.6 108 110 A I E +Cd 97 143B 0 -11,-3.2 -11,-1.8 -2,-0.5 2,-0.4 -0.904 19.7 180.0-118.1 135.9 -18.9 19.8 1.4 109 111 A V E -Cd 96 144B 1 34,-2.6 36,-3.0 -2,-0.4 2,-0.4 -0.992 10.1-175.2-127.6 122.0 -21.6 18.2 3.5 110 112 A A E -Cd 95 145B 0 -15,-2.9 -15,-2.4 -2,-0.4 36,-0.2 -0.973 23.4-128.0-121.7 129.3 -24.2 20.4 5.3 111 113 A S E -C 94 0B 7 34,-2.5 2,-1.2 -2,-0.4 -17,-0.2 -0.490 23.7-125.4 -67.4 137.3 -26.9 19.2 7.7 112 114 A D > - 0 0 5 -19,-2.6 3,-1.3 -2,-0.2 6,-0.9 -0.720 28.7-177.7 -86.5 96.2 -30.4 20.4 6.7 113 115 A N T 3 S+ 0 0 4 -2,-1.2 4,-0.4 1,-0.3 -1,-0.2 0.442 72.1 73.2 -78.0 0.1 -31.4 22.1 10.0 114 116 A K T 3 S+ 0 0 15 1,-0.2 -65,-1.9 2,-0.1 2,-0.6 0.708 91.5 63.3 -75.9 -25.8 -34.9 23.0 8.5 115 117 A K S X> S- 0 0 4 -3,-1.3 3,-1.7 -68,-0.2 4,-0.7 -0.912 130.0 -36.4-115.8 110.0 -36.0 19.4 8.8 116 118 A M G >4 S- 0 0 82 -2,-0.6 3,-1.1 1,-0.3 33,-0.3 0.843 110.2 -65.0 47.6 43.8 -36.2 17.7 12.1 117 119 A A G 34 S- 0 0 53 -4,-0.4 32,-1.4 1,-0.3 -1,-0.3 0.818 99.2 -53.3 50.6 36.9 -33.1 19.6 13.4 118 120 A G G <4 S- 0 0 1 -3,-1.7 32,-0.4 -6,-0.9 -1,-0.3 0.743 87.0-179.7 75.0 26.5 -30.9 17.8 10.8 119 121 A A << - 0 0 4 -3,-1.1 2,-0.5 -4,-0.7 32,-0.2 -0.111 37.0 -98.6 -57.9 151.7 -32.0 14.2 11.8 120 122 A W B -h 151 0C 10 30,-2.6 32,-1.5 -4,-0.0 35,-0.2 -0.654 50.6-173.2 -67.6 120.0 -30.6 11.1 10.2 121 123 A V > - 0 0 7 -29,-0.5 3,-2.4 -2,-0.5 4,-0.4 -0.776 35.9 -72.4-117.8 161.4 -33.2 10.0 7.6 122 124 A P T 3 S+ 0 0 4 0, 0.0 -37,-0.3 0, 0.0 -35,-0.2 -0.271 121.2 19.6 -52.3 131.9 -33.6 6.9 5.4 123 125 A G T 3> S+ 0 0 15 35,-0.4 4,-2.0 -39,-0.1 5,-0.1 0.154 94.3 105.1 94.4 -18.0 -31.0 7.1 2.6 124 126 A Q H <> S+ 0 0 8 -3,-2.4 4,-3.0 1,-0.2 5,-0.2 0.907 74.5 54.7 -64.8 -41.8 -28.7 9.6 4.3 125 127 A A H > S+ 0 0 15 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.920 108.9 48.3 -60.7 -43.4 -26.0 7.1 5.3 126 128 A E H > S+ 0 0 55 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.929 111.9 50.4 -60.5 -44.1 -25.7 6.0 1.6 127 129 A N H X S+ 0 0 0 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.924 109.3 51.2 -59.3 -43.5 -25.5 9.6 0.6 128 130 A L H X S+ 0 0 3 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.851 106.6 53.2 -64.6 -36.9 -22.8 10.3 3.3 129 131 A I H X 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441 0H 12 39,-0.8 2,-0.3 -2,-0.3 -27,-0.2 -0.968 30.5 134.3-122.0 131.4 -30.9 4.6 -17.7 470 486 A Y E -s 442 0H 44 -29,-1.8 -27,-0.6 -2,-0.4 -2,-0.1 -0.925 59.0-116.2-170.3 150.0 -32.2 1.0 -18.3 471 487 A V S S- 0 0 81 -2,-0.3 -28,-1.4 1,-0.2 -1,-0.1 0.920 96.2 -35.0 -55.8 -44.3 -31.0 -2.5 -18.7 472 488 A M S S- 0 0 66 -30,-0.2 -1,-0.2 -29,-0.1 5,-0.1 -0.935 90.8 -55.4-165.1 169.3 -32.3 -2.5 -22.3 473 489 A P > - 0 0 57 0, 0.0 4,-2.4 0, 0.0 3,-0.3 -0.273 50.7-119.9 -57.3 144.0 -35.2 -1.0 -24.1 474 490 A G H > S+ 0 0 6 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.825 112.1 52.4 -52.7 -40.6 -38.6 -1.9 -22.7 475 491 A E H > S+ 0 0 113 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.895 110.4 47.2 -65.3 -42.9 -39.8 -3.6 -25.9 476 492 A T H > S+ 0 0 76 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.907 114.1 48.1 -63.2 -43.9 -36.7 -5.8 -26.1 477 493 A A H X S+ 0 0 6 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.880 108.5 53.9 -63.9 -41.6 -37.1 -6.7 -22.4 478 494 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.911 112.2 45.1 -60.4 -43.8 -40.8 -7.5 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360.0 360.0 -58.8 -31.6 -46.3 -22.0 -24.6 489 505 A A < 0 0 102 -4,-1.6 0, 0.0 -5,-0.2 0, 0.0 -0.597 360.0 360.0 -78.5 360.0 -49.7 -20.4 -24.0 490 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 491 513 A Q > 0 0 156 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -43.2 -53.9 -11.3 -23.5 492 514 A P H > + 0 0 102 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.858 360.0 45.3 -59.6 -35.0 -52.8 -11.4 -19.8 493 515 A I H > S+ 0 0 34 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.894 110.6 53.4 -70.8 -42.9 -49.2 -11.9 -21.1 494 516 A I H > S+ 0 0 70 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.902 108.4 50.5 -58.3 -43.3 -49.8 -9.1 -23.7 495 517 A G H X S+ 0 0 23 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.893 107.4 53.2 -60.6 -42.9 -50.9 -6.8 -20.8 496 518 A K H X S+ 0 0 107 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.861 107.7 52.3 -60.3 -37.4 -47.7 -7.7 -18.8 497 519 A M H X S+ 0 0 25 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.908 111.5 44.3 -65.7 -45.4 -45.6 -6.7 -21.9 498 520 A N H X S+ 0 0 98 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.857 111.1 54.8 -68.8 -35.5 -47.3 -3.3 -22.2 499 521 A D H X S+ 0 0 113 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.920 110.8 46.8 -57.7 -45.3 -47.0 -2.8 -18.4 500 522 A M H X S+ 0 0 39 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.911 109.3 52.3 -65.0 -46.8 -43.3 -3.5 -18.7 501 523 A I H X S+ 0 0 44 -4,-2.3 4,-1.5 1,-0.2 -27,-0.2 0.920 114.0 43.8 -57.0 -46.1 -42.7 -1.1 -21.7 502 524 A Q H X S+ 0 0 106 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.906 112.5 52.2 -66.4 -42.6 -44.4 1.7 -19.8 503 525 A M H X S+ 0 0 103 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.887 106.4 53.5 -62.1 -41.9 -42.6 0.9 -16.6 504 526 A Y H < S+ 0 0 59 -4,-2.8 -1,-0.2 2,-0.2 4,-0.2 0.880 111.1 47.0 -59.7 -39.2 -39.2 1.0 -18.4 505 527 A T H >< S+ 0 0 65 -4,-1.5 3,-1.3 -5,-0.2 4,-0.4 0.966 114.8 45.7 -65.2 -51.2 -40.1 4.5 -19.7 506 528 A D H >< S+ 0 0 89 -4,-2.6 3,-0.8 1,-0.3 -2,-0.2 0.885 114.8 46.3 -58.1 -44.4 -41.3 5.8 -16.3 507 529 A K T 3< S+ 0 0 91 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.293 108.1 57.2 -89.8 11.0 -38.3 4.4 -14.4 508 530 A S T < S+ 0 0 2 -3,-1.3 -39,-0.8 -4,-0.2 -1,-0.2 0.365 74.0 120.4-117.4 -1.6 -35.6 5.6 -16.8 509 531 A R S <> S- 0 0 92 -3,-0.8 4,-2.6 -4,-0.4 3,-0.3 -0.397 74.7-113.9 -65.5 142.3 -36.5 9.4 -16.8 510 532 A P H > S+ 0 0 8 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.846 114.3 49.0 -44.8 -49.1 -33.6 11.6 -15.7 511 533 A K H > S+ 0 0 59 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.934 113.0 47.2 -62.5 -44.5 -35.3 12.8 -12.5 512 534 A Y H > S+ 0 0 57 -3,-0.3 4,-1.9 1,-0.2 6,-0.2 0.920 109.9 54.4 -59.8 -44.4 -36.2 9.3 -11.4 513 535 A C H <>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 6,-0.8 0.896 113.1 41.4 -59.2 -43.0 -32.6 8.1 -12.2 514 536 A T H ><5S+ 0 0 2 -4,-2.2 3,-0.7 3,-0.2 -1,-0.2 0.855 108.2 59.7 -76.8 -32.9 -31.1 10.7 -9.9 515 537 A E H 3<5S+ 0 0 61 -4,-2.5 -432,-3.1 1,-0.2 -2,-0.2 0.871 112.6 41.0 -57.2 -36.4 -33.7 10.3 -7.2 516 538 A K T 3<5S- 0 0 59 -4,-1.9 -1,-0.2 -434,-0.2 -2,-0.2 0.489 117.8-116.3 -89.5 -6.1 -32.6 6.6 -7.0 517 539 A G T < 5S+ 0 0 6 -3,-0.7 -3,-0.2 2,-0.3 3,-0.1 0.578 74.9 132.4 80.2 11.9 -28.9 7.6 -7.3 518 540 A M S > - 0 0 27 -2,-0.3 3,-2.6 -60,-0.1 4,-0.7 -0.323 34.4-112.1 -65.6 151.8 -27.6 21.7 -17.3 525 547 A M G >4 S+ 0 0 1 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.852 121.9 52.0 -52.6 -36.3 -25.8 21.6 -20.6 526 548 A T G 34 S+ 0 0 58 1,-0.2 -1,-0.3 2,-0.1 -232,-0.1 0.405 105.7 56.5 -81.7 0.8 -24.0 24.8 -19.6 527 549 A E G <> S+ 0 0 70 -3,-2.6 4,-2.2 2,-0.1 -1,-0.2 0.463 82.1 85.0-106.4 -7.3 -22.9 23.1 -16.3 528 550 A V H S+ 0 0 25 -4,-0.4 4,-3.0 1,-0.2 -1,-0.2 0.925 110.7 56.0 -62.6 -47.2 -17.8 21.9 -18.4 530 552 A P H > S+ 0 0 37 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.896 109.8 46.2 -47.8 -43.9 -18.0 23.5 -14.9 531 553 A Y H X S+ 0 0 9 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.893 111.6 51.1 -67.9 -40.0 -18.3 20.0 -13.4 532 554 A I H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.907 111.3 49.4 -58.4 -42.6 -15.4 18.8 -15.5 533 555 A Q H X S+ 0 0 45 -4,-3.0 4,-2.6 2,-0.2 5,-0.3 0.930 111.9 46.6 -63.5 -47.8 -13.4 21.8 -14.3 534 556 A A H X S+ 0 0 1 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.945 115.7 46.6 -59.3 -50.5 -14.2 21.2 -10.6 535 557 A F H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.931 115.3 44.3 -56.0 -51.7 -13.4 17.5 -11.0 536 558 A T H X S+ 0 0 0 -4,-2.9 4,-1.7 2,-0.2 -2,-0.2 0.919 114.8 47.3 -67.3 -42.7 -10.1 18.0 -12.9 537 559 A E H < S+ 0 0 20 -4,-2.6 4,-0.4 -5,-0.2 -1,-0.2 0.888 113.9 48.9 -65.7 -36.6 -8.9 20.8 -10.6 538 560 A A H >X S+ 0 0 0 -4,-2.3 3,-1.0 -5,-0.3 4,-0.6 0.920 109.1 53.3 -64.6 -44.0 -9.8 18.7 -7.6 539 561 A A H 3< S+ 0 0 8 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.810 115.2 39.8 -61.6 -34.4 -8.0 15.6 -9.0 540 562 A Y T 3< S+ 0 0 17 -4,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.372 93.5 87.6 -96.5 2.8 -4.8 17.6 -9.6 541 563 A Q T <4 S- 0 0 9 -3,-1.0 -265,-2.9 -4,-0.4 -2,-0.2 0.894 115.5 -5.9 -71.5 -40.9 -4.9 19.6 -6.3 542 564 A N S < S+ 0 0 34 -4,-0.6 -1,-0.2 -404,-0.4 -2,-0.1 -0.317 81.0 179.2-152.3 61.8 -3.1 17.0 -4.2 543 565 A P - 0 0 27 0, 0.0 -3,-0.1 0, 0.0 -405,-0.1 -0.330 26.3-141.4 -70.2 149.8 -2.5 13.9 -6.3 544 566 A Q S S+ 0 0 130 1,-0.1 2,-0.3 -2,-0.0 -405,-0.0 0.406 82.4 39.5 -96.5 4.2 -0.7 11.0 -4.6 545 567 A S - 0 0 48 -153,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.988 66.8-159.4-150.2 148.5 1.3 10.0 -7.6 546 568 A I - 0 0 80 -2,-0.3 -154,-0.1 -3,-0.0 -2,-0.0 -0.980 11.3-166.9-131.5 141.2 3.1 12.0 -10.4 547 569 A C - 0 0 16 -156,-0.4 5,-0.1 -2,-0.4 -156,-0.0 -0.975 31.6-127.4-120.6 115.3 4.4 11.2 -13.9 548 570 A P > - 0 0 42 0, 0.0 3,-2.1 0, 0.0 4,-0.1 -0.321 22.0-120.0 -56.4 143.0 6.7 14.0 -15.3 549 571 A M G > S+ 0 0 22 1,-0.3 3,-1.8 2,-0.2 -266,-0.0 0.877 112.8 55.3 -55.9 -42.7 5.5 15.2 -18.7 550 572 A H G 3 S+ 0 0 109 1,-0.3 -1,-0.3 3,-0.0 -546,-0.0 0.540 107.7 51.7 -70.1 -6.4 8.7 14.2 -20.4 551 573 A Q G < S+ 0 0 100 -3,-2.1 2,-0.3 -160,-0.1 -1,-0.3 0.197 82.7 121.3-111.7 13.2 8.3 10.6 -19.1 552 574 A M < - 0 0 9 -3,-1.8 4,-0.4 1,-0.1 -164,-0.1 -0.593 42.8-167.1 -83.7 138.9 4.7 10.2 -20.3 553 575 A L S > S+ 0 0 69 -166,-0.3 4,-3.0 -2,-0.3 5,-0.3 0.818 74.6 71.3 -92.5 -36.8 3.9 7.3 -22.7 554 576 A T H > S+ 0 0 0 -167,-0.4 4,-2.5 1,-0.2 5,-0.2 0.898 101.1 45.8 -50.7 -48.7 0.4 8.2 -24.0 555 577 A P H > S+ 0 0 6 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.885 115.3 48.1 -63.9 -35.8 1.6 11.2 -26.1 556 578 A R H > S+ 0 0 81 -4,-0.4 4,-2.5 -3,-0.2 -2,-0.2 0.940 113.1 45.4 -69.0 -49.7 4.5 9.1 -27.6 557 579 A S H X S+ 0 0 38 -4,-3.0 4,-2.2 2,-0.2 5,-0.2 0.903 112.7 52.9 -59.8 -41.7 2.4 6.0 -28.4 558 580 A T H X S+ 0 0 4 -4,-2.5 4,-1.5 -5,-0.3 -2,-0.2 0.933 110.9 46.8 -57.1 -48.8 -0.3 8.4 -30.0 559 581 A R H X S+ 0 0 84 -4,-2.2 4,-1.8 1,-0.2 5,-0.2 0.900 110.0 52.7 -60.8 -44.8 2.4 10.0 -32.1 560 582 A E H X>S+ 0 0 110 -4,-2.5 4,-3.5 1,-0.2 5,-0.5 0.893 106.9 51.8 -62.6 -41.8 3.9 6.7 -33.3 561 583 A F H X5S+ 0 0 61 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.865 110.4 50.7 -61.0 -37.1 0.6 5.3 -34.4 562 584 A E H <5S+ 0 0 108 -4,-1.5 -2,-0.2 3,-0.2 -1,-0.2 0.864 123.1 29.0 -65.2 -38.3 0.1 8.5 -36.4 563 585 A T H <5S+ 0 0 97 -4,-1.8 -2,-0.2 2,-0.1 -3,-0.2 0.788 122.4 45.0 -98.4 -34.7 3.5 8.2 -38.1 564 586 A F H <5 0 0 189 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.1 0.769 360.0 360.0 -82.8 -28.3 4.3 4.5 -38.3 565 587 A G << 0 0 76 -4,-1.0 -3,-0.2 -5,-0.5 -2,-0.1 0.333 360.0 360.0 157.2 360.0 0.8 3.6 -39.5