==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-JAN-12 3VES . COMPND 2 MOLECULE: O-CARBAMOYLTRANSFERASE TOBZ; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOALLOTEICHUS TENEBRARIUS; . AUTHOR C.PARTHIER,M.T.STUBBS,S.GOERLICH,F.JAENECKE . 567 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21960.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 380 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 . 30 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 26.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.9 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 0 2 3 0 3 3 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 PARALLEL BRIDGES PER LADDER . 3 1 1 3 1 4 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 . 3 0 0 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 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 0 A H 0 0 151 0, 0.0 2,-0.7 0, 0.0 22,-0.0 0.000 360.0 360.0 360.0 132.5 10.9 46.9 39.8 2 1 A M - 0 0 56 63,-0.0 22,-2.7 64,-0.0 2,-0.5 -0.860 360.0-174.5 -93.3 115.6 9.3 44.7 37.1 3 2 A R E +A 23 0A 60 -2,-0.7 63,-2.7 20,-0.2 64,-1.2 -0.946 5.5 177.7-118.8 117.3 11.7 41.8 36.4 4 3 A V E -Ab 22 67A 0 18,-2.1 18,-2.8 -2,-0.5 2,-0.6 -0.976 15.4-156.1-127.0 121.0 11.0 39.3 33.6 5 4 A L E -Ab 21 68A 0 62,-2.1 64,-3.1 -2,-0.5 2,-0.4 -0.879 13.3-159.9 -95.8 120.0 13.2 36.4 32.6 6 5 A G E -Ab 20 69A 0 14,-3.6 14,-2.6 -2,-0.6 2,-0.3 -0.807 11.8-170.3-101.0 140.7 12.7 35.4 29.0 7 6 A L E -Ab 19 70A 0 62,-3.2 64,-2.1 -2,-0.4 2,-0.3 -0.912 17.8-178.9-131.7 155.4 13.8 31.9 27.8 8 7 A N E +A 18 0A 0 10,-1.8 10,-1.7 -2,-0.3 2,-0.1 -0.969 46.8 66.8-146.7 147.4 14.2 29.8 24.7 9 8 A G - 0 0 0 -2,-0.3 37,-0.1 8,-0.3 34,-0.1 -0.009 44.9-166.0 112.8 140.9 15.4 26.2 24.4 10 9 A W - 0 0 5 35,-0.2 35,-0.5 36,-0.2 4,-0.3 -0.979 33.8-112.1-161.5 143.8 13.8 23.0 25.5 11 10 A P S S+ 0 0 65 0, 0.0 2,-0.7 0, 0.0 3,-0.2 0.742 97.3 72.1 -60.3 -26.1 15.2 19.4 25.9 12 11 A R S S- 0 0 128 1,-0.2 33,-0.1 -3,-0.0 -3,-0.1 -0.836 119.5 -36.0-100.5 111.2 13.1 18.0 23.0 13 12 A D S S+ 0 0 76 -2,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.888 95.7 134.6 54.4 53.9 14.0 18.9 19.4 14 13 A F - 0 0 7 -4,-0.3 30,-2.9 -3,-0.2 2,-0.3 -0.902 33.3-170.0-133.6 160.3 15.1 22.5 19.9 15 14 A H + 0 0 69 -2,-0.3 27,-0.2 28,-0.3 28,-0.2 -0.938 60.3 39.8-143.2 161.5 17.9 24.8 18.9 16 15 A D - 0 0 30 25,-4.0 26,-0.2 -2,-0.3 27,-0.1 0.825 65.4-168.4 67.6 39.5 19.1 28.3 19.9 17 16 A A + 0 0 1 25,-1.2 16,-2.1 24,-0.3 17,-0.5 -0.281 20.2 152.3 -54.4 135.9 18.7 28.2 23.7 18 17 A S E -AC 8 32A 0 -10,-1.7 -10,-1.8 14,-0.3 2,-0.4 -0.980 31.5-144.8-160.5 164.7 19.1 31.6 25.3 19 18 A A E -AC 7 31A 0 12,-2.4 12,-2.3 -2,-0.3 2,-0.4 -1.000 10.4-173.0-139.7 138.9 18.0 33.7 28.2 20 19 A A E -AC 6 30A 0 -14,-2.6 -14,-3.6 -2,-0.4 2,-0.5 -0.998 9.0-155.8-132.0 139.2 17.2 37.4 28.6 21 20 A L E -AC 5 29A 0 8,-3.0 7,-2.6 -2,-0.4 8,-1.3 -0.949 7.0-166.1-116.1 118.2 16.5 39.4 31.8 22 21 A L E -AC 4 27A 1 -18,-2.8 -18,-2.1 -2,-0.5 2,-0.5 -0.876 3.4-173.1 -98.4 130.1 14.5 42.6 31.6 23 22 A V E > S-AC 3 26A 32 3,-3.0 3,-1.2 -2,-0.5 -20,-0.2 -0.943 79.1 -22.9-122.5 110.0 14.5 45.0 34.6 24 23 A D T 3 S- 0 0 82 -22,-2.7 333,-0.1 -2,-0.5 -21,-0.1 0.862 128.2 -49.5 56.1 42.4 12.1 47.9 34.1 25 24 A G T 3 S+ 0 0 1 -23,-0.4 334,-2.1 1,-0.3 2,-0.3 0.441 118.1 112.5 81.8 -0.4 12.2 47.5 30.3 26 25 A R E < S-C 23 0A 152 -3,-1.2 -3,-3.0 332,-0.2 2,-0.9 -0.807 74.1-116.7-105.4 148.2 16.0 47.4 30.3 27 26 A I E +C 22 0A 27 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.728 34.4 172.5 -83.1 110.5 18.2 44.5 29.4 28 27 A A E S- 0 0 28 -7,-2.6 2,-0.3 -2,-0.9 -1,-0.2 0.820 70.6 -8.5 -85.4 -33.3 20.1 43.7 32.6 29 28 A A E +C 21 0A 0 -8,-1.3 -8,-3.0 -3,-0.2 -1,-0.4 -0.981 59.2 174.4-161.4 154.7 21.6 40.5 31.1 30 29 A F E +C 20 0A 0 337,-1.6 2,-0.3 -2,-0.3 -10,-0.2 -0.875 12.2 165.3-166.5 128.1 21.2 38.3 27.9 31 30 A A E -C 19 0A 5 -12,-2.3 -12,-2.4 -2,-0.3 2,-0.4 -0.994 32.3-124.0-148.9 156.6 23.2 35.3 26.8 32 31 A E E >> -C 18 0A 12 -2,-0.3 3,-1.0 -14,-0.2 4,-0.9 -0.835 22.2-134.6 -97.2 137.9 23.2 32.4 24.4 33 32 A E H >> S+ 0 0 4 -16,-2.1 4,-2.7 -2,-0.4 3,-0.8 0.868 101.3 62.7 -59.3 -38.0 23.6 28.9 25.9 34 33 A E H 3> S+ 0 0 20 -17,-0.5 4,-1.5 1,-0.3 -1,-0.3 0.790 97.3 57.2 -62.2 -29.7 26.1 27.9 23.3 35 34 A R H <4 S+ 0 0 12 -3,-1.0 -1,-0.3 2,-0.2 507,-0.2 0.851 113.8 37.6 -70.7 -33.8 28.6 30.5 24.4 36 35 A L H << S+ 0 0 40 -4,-0.9 -2,-0.2 -3,-0.8 -1,-0.2 0.911 124.7 37.9 -85.8 -45.2 28.7 29.2 28.0 37 36 A T H < S- 0 0 30 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.669 97.8-134.5 -73.2 -20.5 28.5 25.5 27.2 38 37 A R < + 0 0 64 -4,-1.5 2,-0.8 -5,-0.3 -3,-0.2 0.602 65.3 131.3 67.0 12.8 30.7 25.8 24.1 39 38 A K > - 0 0 143 -6,-0.3 3,-1.7 -5,-0.2 -1,-0.2 -0.856 61.9-122.3-100.2 107.1 28.1 23.6 22.4 40 39 A K G > S+ 0 0 77 -2,-0.8 3,-0.5 1,-0.2 497,-0.0 -0.148 85.6 7.8 -58.3 135.1 27.3 25.3 19.1 41 40 A H G 3 S- 0 0 40 1,-0.2 -25,-4.0 -26,-0.1 -24,-0.3 0.288 100.0-108.4 82.4 -4.7 23.6 26.2 18.3 42 41 A G G < - 0 0 3 -3,-1.7 -25,-1.2 -26,-0.2 3,-0.5 0.902 51.2-166.1 49.5 53.6 22.4 25.3 21.9 43 42 A Y < - 0 0 114 -3,-0.5 -28,-0.3 1,-0.2 -1,-0.2 -0.437 51.6 -8.0 -75.7 141.5 20.6 22.2 20.8 44 43 A N S S+ 0 0 90 -30,-2.9 2,-0.3 -2,-0.2 -1,-0.2 0.849 102.2 108.0 51.4 51.2 18.0 20.2 22.9 45 44 A T - 0 0 42 -35,-0.5 -35,-0.2 -3,-0.5 -1,-0.1 -0.984 69.9-118.5-157.8 139.2 18.5 22.0 26.2 46 45 A A - 0 0 4 -2,-0.3 2,-2.5 49,-0.2 3,-0.3 -0.521 51.5-100.6 -65.4 150.4 16.7 24.4 28.4 47 46 A P > + 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.3 -0.319 66.0 153.2 -75.6 58.8 18.9 27.6 28.7 48 47 A V H > S+ 0 0 31 -2,-2.5 4,-2.0 1,-0.2 5,-0.2 0.934 70.1 36.7 -56.2 -55.1 20.3 26.5 32.1 49 48 A Q H > S+ 0 0 97 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.909 117.1 50.8 -70.2 -41.8 23.6 28.3 32.0 50 49 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.900 113.3 46.3 -61.9 -42.4 22.4 31.4 30.2 51 50 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.862 111.2 52.1 -69.3 -36.0 19.6 31.8 32.7 52 51 A A H X S+ 0 0 35 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.893 110.6 48.9 -67.4 -38.6 22.0 31.2 35.6 53 52 A F H X S+ 0 0 27 -4,-2.6 4,-3.2 2,-0.2 -2,-0.2 0.928 108.4 53.9 -61.1 -46.0 24.2 33.9 34.3 54 53 A C H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.915 111.6 43.9 -57.8 -47.5 21.3 36.3 33.9 55 54 A L H X>S+ 0 0 11 -4,-2.1 5,-2.7 2,-0.2 4,-1.0 0.921 114.6 49.4 -63.3 -45.0 20.3 35.9 37.5 56 55 A A H ><5S+ 0 0 75 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.940 108.4 53.9 -61.1 -46.1 23.9 36.2 38.8 57 56 A Q H 3<5S+ 0 0 74 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.907 116.4 37.2 -53.2 -46.7 24.5 39.3 36.7 58 57 A A H 3<5S- 0 0 37 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.507 110.4-120.2 -87.9 -3.6 21.5 41.1 38.2 59 58 A G T <<5 + 0 0 64 -4,-1.0 2,-0.2 -3,-0.8 -3,-0.2 0.876 69.8 130.0 68.1 36.9 22.1 39.6 41.7 60 59 A L < - 0 0 29 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.2 -0.687 46.4-152.6-115.6 169.9 18.6 37.9 41.6 61 60 A T > - 0 0 57 -2,-0.2 3,-2.2 -3,-0.1 4,-0.3 -0.820 45.3 -92.8-125.5 173.6 17.1 34.5 42.2 62 61 A V G > S+ 0 0 2 41,-0.5 3,-1.8 1,-0.3 42,-0.1 0.838 123.4 66.0 -56.7 -32.5 13.9 33.2 40.7 63 62 A D G 3 S+ 0 0 46 40,-0.3 -1,-0.3 1,-0.3 41,-0.1 0.641 96.3 57.1 -65.2 -12.3 11.9 34.5 43.7 64 63 A D G < S+ 0 0 65 -3,-2.2 2,-0.3 44,-0.0 -1,-0.3 0.540 86.5 102.4 -95.3 -6.9 12.8 38.0 42.5 65 64 A L < - 0 0 12 -3,-1.8 -61,-0.2 -4,-0.3 3,-0.1 -0.587 56.2-160.6 -79.6 133.9 11.2 37.4 39.1 66 65 A D S S- 0 0 60 -63,-2.7 2,-0.3 -2,-0.3 -62,-0.2 0.715 79.1 -9.4 -78.4 -21.9 7.8 38.9 38.4 67 66 A A E -b 4 0A 0 -64,-1.2 -62,-2.1 41,-0.1 2,-0.4 -0.964 54.9-135.4-170.4 151.3 7.4 36.4 35.5 68 67 A V E -bd 5 110A 0 41,-2.7 43,-3.0 -2,-0.3 2,-0.4 -0.971 27.6-162.5-112.0 133.2 9.1 33.8 33.4 69 68 A A E -bd 6 111A 0 -64,-3.1 -62,-3.2 -2,-0.4 2,-0.4 -0.960 6.8-158.8-124.0 131.4 8.4 34.0 29.6 70 69 A F E -bd 7 112A 0 41,-3.0 43,-3.2 -2,-0.4 2,-0.2 -0.927 18.0-135.8-112.8 136.0 9.0 31.4 27.0 71 70 A G S S+ 0 0 0 -64,-2.1 2,-0.3 -2,-0.4 48,-0.2 0.071 81.6 53.1 -87.4 25.9 9.3 32.3 23.3 72 71 A W S S- 0 0 19 -2,-0.2 2,-1.5 42,-0.1 41,-0.4 -0.972 85.5-115.0-142.1 156.5 7.1 29.6 21.8 73 72 A D > + 0 0 53 -2,-0.3 4,-1.5 1,-0.2 3,-0.5 -0.552 46.4 170.4 -86.9 72.2 3.6 28.5 22.5 74 73 A L H > + 0 0 0 -2,-1.5 4,-2.1 1,-0.2 3,-0.3 0.868 68.7 55.0 -51.6 -51.0 4.8 25.1 23.7 75 74 A P H > S+ 0 0 12 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.898 108.6 51.9 -53.9 -38.9 1.5 23.8 25.1 76 75 A A H > S+ 0 0 39 -3,-0.5 4,-2.0 1,-0.2 -2,-0.2 0.858 108.7 49.1 -64.6 -37.5 -0.1 24.5 21.7 77 76 A M H X S+ 0 0 7 -4,-1.5 4,-1.9 -3,-0.3 5,-0.3 0.805 113.2 47.3 -72.6 -30.5 2.7 22.5 19.9 78 77 A Y H X S+ 0 0 21 -4,-2.1 6,-2.2 3,-0.2 4,-1.5 0.912 113.9 46.9 -73.9 -44.4 2.3 19.6 22.2 79 78 A R H < S+ 0 0 165 -4,-2.6 4,-0.4 -5,-0.3 -2,-0.2 0.889 121.1 37.4 -62.6 -38.9 -1.5 19.6 21.9 80 79 A E H < S+ 0 0 113 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.940 131.9 20.4 -81.0 -48.7 -1.5 19.8 18.1 81 80 A R H < S+ 0 0 22 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.555 130.0 38.0-101.7 -11.5 1.5 17.7 17.1 82 81 A L S < S- 0 0 67 -4,-1.5 -3,-0.2 -5,-0.3 -1,-0.1 0.262 104.6-105.0-132.5 11.1 2.0 15.4 20.1 83 82 A G S S- 0 0 81 -4,-0.4 -4,-0.2 -5,-0.1 2,-0.1 0.701 85.5 -6.8 72.8 21.8 -1.4 14.4 21.5 84 83 A G - 0 0 28 -6,-2.2 -5,-0.1 -9,-0.1 -4,-0.0 -0.393 62.6-104.6 137.6 149.9 -1.3 16.6 24.6 85 84 A W - 0 0 34 -2,-0.1 -2,-0.0 1,-0.1 -9,-0.0 -0.906 33.8-176.7-102.0 107.7 0.5 19.0 26.9 86 85 A P + 0 0 86 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.370 46.2 94.0 -91.8 1.4 1.3 16.9 30.0 87 86 A H - 0 0 45 4,-0.1 2,-0.1 3,-0.0 -2,-0.0 -0.841 59.5-145.6-108.1 130.3 2.9 19.6 32.3 88 87 A S > - 0 0 59 -2,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.434 45.0-101.3 -65.2 159.6 1.5 21.8 35.0 89 88 A D H > S+ 0 0 87 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.874 125.4 54.4 -51.9 -39.0 3.3 25.2 35.0 90 89 A S H > S+ 0 0 40 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.914 108.1 47.2 -65.1 -43.0 5.3 23.9 38.0 91 90 A E H > S+ 0 0 95 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.885 112.2 51.2 -66.3 -35.8 6.5 20.8 36.1 92 91 A A H >X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 3,-0.8 0.930 109.0 50.1 -66.9 -45.2 7.4 23.0 33.1 93 92 A L H 3X S+ 0 0 1 -4,-2.8 4,-3.4 1,-0.2 -2,-0.2 0.882 104.0 59.3 -56.8 -40.1 9.4 25.4 35.3 94 93 A D H 3< S+ 0 0 61 -4,-2.1 -1,-0.2 1,-0.2 5,-0.2 0.782 111.8 41.8 -59.6 -26.6 11.2 22.4 36.8 95 94 A I H << S+ 0 0 50 -4,-0.8 -2,-0.2 -3,-0.8 -49,-0.2 0.851 119.2 41.3 -87.6 -39.8 12.3 21.6 33.2 96 95 A L H < S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.849 132.6 23.1 -75.8 -35.8 13.1 25.2 32.1 97 96 A L S < S- 0 0 0 -4,-3.4 -1,-0.3 -5,-0.2 -2,-0.1 -0.673 86.9-147.1-135.0 76.8 14.8 26.2 35.4 98 97 A P >> - 0 0 30 0, 0.0 4,-2.8 0, 0.0 3,-1.7 -0.159 15.2-129.6 -51.2 134.3 16.0 23.0 37.1 99 98 A R T 34 S+ 0 0 108 1,-0.3 -4,-0.1 2,-0.2 -5,-0.0 0.685 104.0 66.1 -66.4 -19.4 15.9 23.3 40.9 100 99 A D T 34 S+ 0 0 143 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.816 118.8 25.4 -70.4 -25.2 19.4 22.2 41.4 101 100 A V T <4 S+ 0 0 62 -3,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.738 131.4 41.5-102.6 -28.3 20.5 25.4 39.6 102 101 A F S < S- 0 0 4 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.1 -0.651 72.0-171.7-124.1 73.1 17.5 27.5 40.4 103 102 A P + 0 0 92 0, 0.0 -41,-0.5 0, 0.0 -40,-0.3 -0.382 14.6 174.1 -65.4 144.5 16.3 27.1 44.0 104 103 A R - 0 0 15 -42,-0.1 3,-0.1 1,-0.1 -2,-0.0 -0.978 39.8-145.6-155.3 142.4 13.0 28.9 44.6 105 104 A R S S- 0 0 204 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.895 89.0 -4.0 -68.3 -43.8 10.4 29.2 47.4 106 105 A T S S- 0 0 97 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.885 84.4 -84.7-145.3 170.4 7.5 29.3 45.0 107 106 A D - 0 0 60 -2,-0.3 3,-0.1 -3,-0.1 -17,-0.1 -0.703 32.7-138.5 -88.3 127.2 6.7 29.5 41.3 108 107 A P - 0 0 13 0, 0.0 -41,-0.1 0, 0.0 -42,-0.1 -0.421 45.6 -81.7 -68.1 155.7 6.8 32.7 39.3 109 108 A P - 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0 0 34 -2,-0.5 4,-1.6 -141,-0.2 8,-0.2 -0.778 31.8-120.5-103.9 156.0 30.0 55.5 18.5 505 504 A E T 4 S+ 0 0 97 -2,-0.3 7,-0.1 1,-0.2 8,-0.1 0.865 114.3 52.4 -59.3 -35.8 32.0 56.8 21.4 506 505 A A T 4 S+ 0 0 89 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.926 106.9 49.1 -67.0 -48.3 29.0 56.1 23.7 507 506 A S T 4 S- 0 0 28 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.827 136.1 -1.9 -63.9 -33.5 28.4 52.4 22.6 508 507 A N X + 0 0 13 -4,-1.6 4,-2.8 1,-0.1 -1,-0.2 -0.501 60.9 179.4-163.5 79.7 32.0 51.4 23.1 509 508 A P H > S+ 0 0 54 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.846 85.2 52.9 -58.7 -36.9 34.6 54.0 24.1 510 509 A R H > S+ 0 0 74 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.946 113.7 40.6 -64.5 -51.0 37.5 51.5 24.2 511 510 A Y H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.905 115.5 53.5 -62.2 -43.3 36.9 50.2 20.6 512 511 A H H X S+ 0 0 35 -4,-2.8 4,-2.1 -8,-0.2 -2,-0.2 0.902 108.3 48.5 -60.0 -45.3 36.2 53.8 19.5 513 512 A R H X S+ 0 0 95 -4,-2.7 4,-2.7 -5,-0.2 -1,-0.2 0.939 111.3 52.0 -58.2 -49.2 39.5 55.1 20.9 514 513 A M H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.926 110.5 45.7 -52.2 -53.8 41.3 52.2 19.2 515 514 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.853 111.3 53.9 -62.0 -36.1 39.7 52.9 15.8 516 515 A T H X S+ 0 0 52 -4,-2.1 4,-1.1 -5,-0.2 -1,-0.2 0.941 109.5 47.1 -61.8 -46.0 40.5 56.6 16.3 517 516 A E H X S+ 0 0 33 -4,-2.7 4,-0.6 1,-0.2 3,-0.5 0.897 111.6 52.6 -60.7 -39.3 44.1 55.7 16.9 518 517 A L H >X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 3,-1.1 0.877 103.1 56.9 -64.4 -38.4 44.0 53.5 13.8 519 518 A G H 3X S+ 0 0 12 -4,-2.4 4,-1.0 1,-0.3 -1,-0.2 0.769 100.7 57.9 -64.5 -27.1 42.7 56.3 11.7 520 519 A D H 3< S+ 0 0 127 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.712 114.7 38.8 -72.1 -20.1 45.8 58.4 12.6 521 520 A L H << S+ 0 0 97 -3,-1.1 -2,-0.2 -4,-0.6 -1,-0.1 0.840 128.7 23.4 -99.5 -43.8 48.0 55.7 11.2 522 521 A V H < S- 0 0 35 -4,-2.4 2,-0.5 2,-0.2 -3,-0.2 0.312 101.0-113.9-115.3 7.8 46.3 54.3 8.1 523 522 A G S < S+ 0 0 52 -4,-1.0 -4,-0.1 -5,-0.3 -5,-0.0 -0.194 94.7 68.7 91.9 -41.2 44.1 57.4 7.2 524 523 A D S S- 0 0 14 -2,-0.5 2,-2.1 -6,-0.2 -2,-0.2 -0.950 75.7-137.4-118.0 130.0 40.8 55.6 7.8 525 524 A P + 0 0 12 0, 0.0 -68,-1.3 0, 0.0 2,-0.4 -0.465 68.9 114.0 -78.8 66.1 39.5 54.6 11.2 526 525 A V E + P 0 456F 0 -2,-2.1 -96,-0.6 -70,-0.2 2,-0.3 -0.989 39.4 177.2-137.3 140.8 38.3 51.3 9.8 527 526 A C E -OP 429 455F 0 -72,-2.4 -72,-2.6 -2,-0.4 2,-0.3 -0.973 37.0-100.3-139.7 160.6 39.4 47.7 10.6 528 527 A L E -OP 428 454F 0 -100,-2.8 -100,-2.1 -2,-0.3 2,-0.4 -0.637 39.4-172.4 -70.4 135.1 38.5 44.2 9.7 529 528 A N E +O 427 0F 1 -76,-2.7 -76,-0.3 -2,-0.3 2,-0.3 -0.868 12.5 162.5-138.3 100.9 36.5 42.7 12.5 530 529 A T E -O 426 0F 10 -104,-2.3 -104,-3.3 -2,-0.4 2,-0.1 -0.747 48.4 -81.1-111.7 165.0 35.7 39.0 12.3 531 530 A S E -O 425 0F 21 -2,-0.3 2,-1.2 -106,-0.2 -106,-0.2 -0.367 40.3-113.5 -75.1 146.8 34.5 36.9 15.3 532 531 A F S S+ 0 0 0 -108,-2.3 8,-2.9 8,-0.1 2,-0.3 -0.639 80.1 80.3 -82.7 95.5 37.0 35.6 17.8 533 532 A N S S- 0 0 9 -2,-1.2 6,-0.1 6,-0.2 2,-0.1 -0.897 86.2 -86.4 178.0 154.1 36.9 31.8 17.3 534 533 A D S > S- 0 0 39 -2,-0.3 3,-1.4 4,-0.2 -90,-0.1 -0.435 70.1 -80.1 -63.1 153.9 38.1 29.1 15.0 535 534 A R T 3 S+ 0 0 82 -91,-1.5 -1,-0.1 1,-0.3 -95,-0.0 -0.401 122.5 16.9 -61.1 137.4 35.8 28.7 12.0 536 535 A G T 3 S+ 0 0 37 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 -0.043 103.6 113.2 89.0 -32.0 32.7 26.7 13.1 537 536 A E S < S- 0 0 38 -3,-1.4 -1,-0.3 1,-0.1 3,-0.1 -0.443 77.7-100.2 -77.7 144.9 33.5 27.3 16.8 538 537 A P - 0 0 10 0, 0.0 -4,-0.2 0, 0.0 -1,-0.1 -0.305 52.1 -88.8 -56.8 145.8 31.2 29.3 19.0 539 538 A I - 0 0 10 1,-0.1 -6,-0.2 -6,-0.1 -501,-0.1 -0.319 54.6 -98.7 -54.2 137.8 32.5 32.9 19.6 540 539 A V + 0 0 1 -8,-2.9 -8,-0.1 -116,-0.2 -1,-0.1 -0.276 45.6 173.0 -61.5 145.7 34.8 32.9 22.7 541 540 A S + 0 0 9 -506,-0.2 -1,-0.1 1,-0.2 -505,-0.1 0.731 54.5 49.3-118.7 -53.1 33.1 34.1 25.8 542 541 A S S > S- 0 0 27 -507,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.448 83.7-112.4 -91.4 160.2 35.4 33.7 28.8 543 542 A P H > S+ 0 0 10 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.893 122.6 52.3 -58.7 -36.9 39.1 34.7 29.2 544 543 A A H > S+ 0 0 59 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.913 107.7 51.8 -62.0 -42.7 40.0 31.0 29.2 545 544 A D H > S+ 0 0 28 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.910 110.2 49.4 -53.6 -45.5 38.0 30.6 26.0 546 545 A A H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.838 111.2 48.6 -67.6 -33.5 39.9 33.4 24.5 547 546 A L H X S+ 0 0 5 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.895 108.8 52.0 -76.6 -41.1 43.3 32.0 25.5 548 547 A L H X S+ 0 0 112 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.927 116.0 41.7 -57.2 -46.6 42.5 28.5 24.2 549 548 A T H X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 3,-0.3 0.924 111.4 55.6 -69.3 -44.6 41.6 30.0 20.8 550 549 A F H <>S+ 0 0 3 -4,-2.5 5,-0.7 1,-0.2 -1,-0.2 0.870 113.6 42.1 -50.7 -39.8 44.5 32.4 20.9 551 550 A S H <5S+ 0 0 63 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.677 111.5 51.8 -90.4 -20.3 46.9 29.5 21.4 552 551 A R H <5S+ 0 0 122 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.663 109.3 59.3 -86.9 -15.1 45.4 27.1 18.9 553 552 A L T <5S- 0 0 9 -4,-1.4 2,-2.5 -5,-0.1 -110,-0.1 -0.805 91.8-110.9-117.2 151.9 45.4 29.7 16.1 554 553 A P T 5 + 0 0 37 0, 0.0 2,-0.3 0, 0.0 -148,-0.1 -0.340 61.4 150.4 -82.0 63.5 48.2 31.7 14.5 555 554 A I < - 0 0 1 -2,-2.5 -148,-0.1 -5,-0.7 12,-0.1 -0.743 41.7-145.9 -90.9 140.9 47.0 35.0 16.0 556 555 A D S S- 0 0 47 -150,-1.4 11,-2.9 -2,-0.3 2,-0.3 0.899 70.7 -1.5 -79.2 -42.3 49.7 37.5 16.7 557 556 A A E -nR 407 566F 2 -151,-1.5 -149,-3.1 9,-0.2 2,-0.4 -0.955 53.8-148.0-146.4 161.9 48.4 39.2 19.8 558 557 A L E -nR 408 565F 0 7,-2.4 7,-2.8 -2,-0.3 2,-0.8 -0.971 2.7-163.7-135.1 118.1 45.5 39.1 22.3 559 558 A A E +nR 409 564F 0 -151,-3.3 -149,-2.5 -2,-0.4 2,-0.5 -0.899 20.6 173.2 -98.3 105.7 44.2 42.2 24.1 560 559 A V E > -nR 410 563F 4 3,-2.0 3,-2.0 -2,-0.8 -149,-0.2 -0.963 62.0 -41.2-121.1 117.2 42.1 40.7 26.9 561 560 A G T 3 S- 0 0 12 -151,-2.3 -151,-0.1 -2,-0.5 -189,-0.1 -0.517 124.4 -27.6 57.6-127.2 40.8 43.2 29.4 562 561 A P T 3 S+ 0 0 25 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.341 121.0 98.4 -93.3 5.7 43.7 45.6 30.1 563 562 A Y E < - R 0 560F 9 -3,-2.0 -3,-2.0 -174,-0.2 2,-0.5 -0.702 57.2-154.1-104.1 147.4 46.3 43.0 29.3 564 563 A L E -LR 388 559F 6 -176,-2.7 -176,-2.5 -2,-0.3 2,-0.4 -0.974 8.0-170.5-119.6 121.0 48.3 42.3 26.1 565 564 A V E - R 0 558F 2 -7,-2.8 -7,-2.4 -2,-0.5 2,-0.4 -0.933 8.4-161.5-108.3 133.6 49.6 38.9 25.2 566 565 A T E R 0 557F 95 -2,-0.4 -9,-0.2 -180,-0.3 -180,-0.1 -0.949 360.0 360.0-119.3 132.0 52.0 38.5 22.3 567 566 A K 0 0 130 -11,-2.9 -1,-0.2 -2,-0.4 -10,-0.1 0.925 360.0 360.0 -79.2 360.0 53.0 35.3 20.3