==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-JUL-12 3VVM . COMPND 2 MOLECULE: HOMOSERINE O-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES LAVENDULAE SUBSP. LAVENDU . AUTHOR K.ODA,Y.MATOBA,T.KUMAGAI,M.NODA,M.SUGIYAMA . 737 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27165.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 498 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 71 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 2 0.3 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 . 2 0.3 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 . 36 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 221 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.9 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 0 0 0 4 0 0 0 2 4 3 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 3 4 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 PARALLEL BRIDGES PER LADDER . 7 3 0 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 ANTIPARALLEL BRIDGES PER LADDER . 5 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 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 0 173 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.4 18.3 -9.6 41.1 2 2 A R + 0 0 55 102,-0.1 2,-0.3 266,-0.0 102,-0.1 0.777 360.0 52.4 -83.5 -29.4 14.7 -8.5 41.3 3 3 A E - 0 0 39 101,-0.1 2,-0.6 264,-0.1 95,-0.2 -0.831 69.5-151.0-109.4 147.7 15.7 -5.1 42.8 4 4 A F + 0 0 23 93,-2.8 93,-0.1 -2,-0.3 264,-0.0 -0.757 25.2 178.1-120.5 83.2 18.2 -2.7 41.4 5 5 A I - 0 0 55 -2,-0.6 94,-0.2 94,-0.1 93,-0.1 -0.758 30.9-121.3 -95.0 121.8 19.6 -0.8 44.4 6 6 A P > - 0 0 11 0, 0.0 3,-1.9 0, 0.0 -1,-0.0 -0.321 27.1-122.1 -57.3 136.8 22.3 1.8 44.0 7 7 A P T 3 S+ 0 0 108 0, 0.0 58,-0.1 0, 0.0 -2,-0.0 0.713 108.0 50.4 -54.6 -27.2 25.4 0.8 46.1 8 8 A A T 3 S+ 0 0 12 57,-0.0 57,-0.1 2,-0.0 56,-0.1 0.222 81.0 139.4 -99.2 15.7 25.5 3.9 48.2 9 9 A S < - 0 0 17 -3,-1.9 2,-0.3 25,-0.1 25,-0.2 -0.278 34.9-161.5 -61.7 141.5 21.8 3.7 49.2 10 10 A R E -A 33 0A 101 23,-2.5 23,-2.4 2,-0.0 2,-0.4 -0.786 12.3-141.5-115.5 162.8 20.8 4.6 52.7 11 11 A F E -A 32 0A 75 -2,-0.3 2,-0.5 21,-0.2 21,-0.2 -0.980 17.0-162.8-137.3 145.5 17.5 3.5 54.2 12 12 A I E -A 31 0A 21 19,-2.2 19,-2.8 -2,-0.4 2,-0.3 -0.987 28.8-131.9-117.9 127.7 14.7 4.8 56.5 13 13 A E E -A 30 0A 148 -2,-0.5 17,-0.3 17,-0.2 3,-0.1 -0.642 15.0-133.8 -83.8 135.6 12.4 2.2 57.9 14 14 A L - 0 0 7 15,-2.2 14,-0.3 -2,-0.3 15,-0.3 -0.631 35.5 -93.3 -85.0 144.6 8.7 2.9 57.7 15 15 A P > - 0 0 65 0, 0.0 3,-1.7 0, 0.0 11,-0.2 -0.257 45.2-101.5 -56.9 140.0 6.6 2.2 60.8 16 16 A D T 3 S+ 0 0 123 1,-0.3 11,-0.2 11,-0.1 3,-0.1 -0.459 114.5 33.6 -60.7 130.8 5.1 -1.3 61.0 17 17 A G T 3 S+ 0 0 34 9,-2.2 -1,-0.3 1,-0.3 10,-0.2 0.536 77.8 173.6 97.6 6.1 1.5 -0.8 60.0 18 18 A F E < -H 26 0B 22 -3,-1.7 8,-2.0 8,-1.3 2,-0.3 -0.310 34.1-124.5 -49.4 116.2 2.2 2.1 57.6 19 19 A A E -H 25 0B 69 6,-0.2 2,-0.4 -3,-0.1 6,-0.2 -0.532 15.6-146.9 -79.3 129.3 -1.3 2.6 56.1 20 20 A M > - 0 0 8 4,-2.3 3,-2.1 -2,-0.3 100,-0.1 -0.750 19.7-126.7 -92.0 135.6 -1.9 2.5 52.3 21 21 A R T 3 S+ 0 0 104 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.851 106.9 44.4 -48.0 -45.5 -4.6 4.8 51.0 22 22 A R T 3 S- 0 0 103 98,-0.4 -1,-0.3 1,-0.3 98,-0.2 0.221 128.3 -72.5 -90.8 17.9 -6.5 2.0 49.2 23 23 A G S < S+ 0 0 43 -3,-2.1 -1,-0.3 1,-0.3 97,-0.1 -0.161 90.2 62.2 110.7 154.3 -6.4 -0.5 52.0 24 24 A G - 0 0 54 -3,-0.1 -4,-2.3 -2,-0.1 -1,-0.3 -0.072 61.6-120.9 83.0 171.1 -3.8 -2.8 53.6 25 25 A A E -H 19 0B 22 -6,-0.2 2,-0.4 -4,-0.0 -6,-0.2 -0.930 12.6-116.2-146.2 167.1 -0.6 -1.8 55.4 26 26 A L E -H 18 0B 1 -8,-2.0 -9,-2.2 -2,-0.3 -8,-1.3 -0.910 21.7-169.6-113.1 138.8 3.2 -2.3 55.1 27 27 A Y S S+ 0 0 124 -2,-0.4 82,-0.1 -11,-0.2 -11,-0.1 -0.979 74.0 5.1-126.2 137.4 5.3 -4.1 57.7 28 28 A G S S+ 0 0 48 -2,-0.4 -1,-0.1 -14,-0.3 2,-0.1 0.730 94.5 148.0 64.1 23.0 9.1 -4.1 57.7 29 29 A A - 0 0 2 -15,-0.3 -15,-2.2 -14,-0.1 2,-0.3 -0.374 24.7-172.3 -87.0 166.9 9.1 -1.7 54.8 30 30 A R E -A 13 0A 77 -17,-0.3 71,-2.4 -2,-0.1 2,-0.5 -0.978 22.5-128.1-155.0 164.1 11.7 1.0 54.0 31 31 A I E -A 12 0A 2 -19,-2.8 -19,-2.2 -2,-0.3 2,-0.4 -0.978 22.0-142.9-119.1 128.9 12.5 4.0 51.8 32 32 A A E +A 11 0A 0 -2,-0.5 60,-2.7 60,-0.3 2,-0.3 -0.730 30.9 164.4 -89.4 140.5 15.9 4.2 50.0 33 33 A Y E -AB 10 91A 20 -23,-2.4 -23,-2.5 -2,-0.4 2,-0.3 -0.957 24.0-157.4-150.6 166.3 17.5 7.6 49.8 34 34 A E E - B 0 90A 1 56,-2.0 56,-2.7 -2,-0.3 2,-0.3 -0.969 12.6-146.7-143.8 152.7 20.7 9.4 49.0 35 35 A T E - B 0 89A 7 -2,-0.3 2,-0.4 54,-0.2 54,-0.2 -0.895 6.8-166.5-124.6 156.4 22.0 12.8 50.0 36 36 A F E + B 0 88A 11 52,-1.9 52,-3.2 -2,-0.3 40,-0.1 -0.979 60.7 12.4-142.7 124.4 24.2 15.4 48.3 37 37 A G S S- 0 0 28 -2,-0.4 2,-0.3 50,-0.2 47,-0.1 -0.037 91.1 -73.2 91.0 159.9 25.7 18.4 50.1 38 38 A S - 0 0 104 45,-0.7 2,-0.4 49,-0.1 -2,-0.0 -0.693 34.0-126.1 -97.9 146.0 25.9 19.0 53.8 39 39 A L - 0 0 49 -2,-0.3 47,-0.1 47,-0.1 -2,-0.0 -0.695 32.4-124.3 -84.1 134.2 23.0 20.0 56.2 40 40 A N > - 0 0 58 -2,-0.4 3,-1.6 45,-0.1 5,-0.1 -0.251 27.7 -98.7 -74.4 169.1 23.9 23.1 58.2 41 41 A A T 3 S+ 0 0 106 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.846 124.8 51.2 -55.3 -38.4 23.8 23.2 62.0 42 42 A A T 3 S- 0 0 72 1,-0.0 -1,-0.3 3,-0.0 -2,-0.0 0.566 103.0-134.2 -77.3 -9.8 20.3 24.8 62.0 43 43 A R < + 0 0 130 -3,-1.6 98,-0.4 1,-0.1 3,-0.3 0.829 68.7 122.8 59.7 36.0 19.0 22.1 59.6 44 44 A D + 0 0 88 1,-0.2 -1,-0.1 95,-0.1 -3,-0.1 0.219 52.9 69.2-112.8 16.1 17.3 24.7 57.5 45 45 A N + 0 0 13 -5,-0.1 42,-2.7 98,-0.1 2,-0.3 -0.019 64.2 133.1-122.1 30.7 18.9 24.0 54.1 46 46 A A E -c 87 0A 0 95,-0.3 97,-2.3 -3,-0.3 98,-1.4 -0.650 34.3-166.7 -86.2 136.9 17.4 20.6 53.2 47 47 A V E -cd 88 144A 0 40,-2.6 42,-3.3 -2,-0.3 2,-0.4 -0.978 7.0-153.1-126.5 117.5 15.9 20.1 49.8 48 48 A L E -cd 89 145A 0 96,-2.2 98,-3.8 -2,-0.5 2,-0.5 -0.741 6.7-160.8 -90.9 136.3 13.8 17.0 49.1 49 49 A V E -cd 90 146A 1 40,-2.7 42,-1.7 -2,-0.4 2,-0.5 -0.971 3.7-166.0-122.6 118.5 13.6 15.6 45.5 50 50 A L E -cd 91 147A 1 96,-2.9 98,-1.4 -2,-0.5 101,-0.1 -0.901 23.9-140.1-102.0 126.6 10.8 13.4 44.4 51 51 A T - 0 0 1 40,-0.7 103,-0.2 -2,-0.5 6,-0.1 -0.222 12.7 -95.9 -89.1 173.3 11.5 11.6 41.1 52 52 A A > - 0 0 14 98,-0.2 3,-1.4 99,-0.1 41,-0.2 -0.260 55.5 -88.1 -74.5 170.6 9.8 10.6 37.9 53 53 A L T 3 S+ 0 0 25 1,-0.3 40,-0.1 222,-0.0 -2,-0.1 0.855 125.6 41.8 -51.4 -43.5 8.4 7.1 37.6 54 54 A S T 3 S+ 0 0 38 42,-0.1 -1,-0.3 213,-0.0 218,-0.0 0.457 96.2 101.7 -88.2 -0.3 11.6 5.5 36.3 55 55 A G < - 0 0 11 -3,-1.4 2,-0.2 1,-0.1 38,-0.2 -0.125 51.0-156.2 -80.7 176.2 14.1 7.3 38.5 56 56 A D - 0 0 35 36,-0.1 14,-0.1 2,-0.1 -4,-0.1 -0.752 40.2 -88.5-135.5-175.3 16.0 6.2 41.6 57 57 A A S S+ 0 0 0 41,-0.3 2,-1.9 -2,-0.2 3,-0.2 0.604 99.3 95.3 -76.3 -10.2 17.6 8.0 44.6 58 58 A H + 0 0 6 1,-0.2 12,-1.6 10,-0.1 13,-0.2 -0.508 41.2 157.9 -83.8 75.1 20.9 8.4 42.8 59 59 A A + 0 0 0 -2,-1.9 12,-2.0 10,-0.3 2,-0.3 0.770 67.1 5.6 -68.9 -27.0 20.4 11.9 41.5 60 60 A A S S- 0 0 4 -3,-0.2 -1,-0.1 10,-0.1 10,-0.1 -0.979 86.6 -83.5-153.5 163.5 24.1 12.6 41.1 61 61 A S - 0 0 46 -2,-0.3 -2,-0.0 14,-0.2 3,-0.0 -0.346 43.6-179.5 -69.4 150.3 27.5 11.0 41.4 62 62 A R B > -I 65 0C 45 3,-1.9 3,-2.0 5,-0.2 5,-0.1 -0.936 43.3 -98.8-144.6 163.2 29.2 10.7 44.8 63 63 A P T 3 S+ 0 0 132 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.857 124.5 47.8 -53.8 -38.7 32.5 9.3 46.1 64 64 A D T 3 S+ 0 0 85 1,-0.3 -3,-0.0 -56,-0.1 0, 0.0 0.372 131.2 20.3 -85.7 5.2 30.9 6.1 47.3 65 65 A D B < +I 62 0C 9 -3,-2.0 -3,-1.9 -57,-0.1 -1,-0.3 -0.360 65.1 178.5-170.9 78.6 29.1 5.7 43.9 66 66 A P + 0 0 102 0, 0.0 -5,-0.2 0, 0.0 3,-0.1 0.450 43.9 123.3 -66.7 -1.8 30.8 7.8 41.1 67 67 A T S S- 0 0 81 -5,-0.1 -5,-0.2 1,-0.1 -2,-0.0 -0.370 76.7 -98.0 -60.6 138.5 28.3 6.4 38.6 68 68 A P - 0 0 93 0, 0.0 2,-0.1 0, 0.0 -8,-0.1 -0.314 40.1-130.4 -61.6 142.5 26.5 9.4 36.9 69 69 A G > - 0 0 12 -10,-0.2 3,-1.6 6,-0.1 -10,-0.3 -0.451 22.0-106.2 -90.4 167.1 23.1 10.2 38.4 70 70 A W T 3 S+ 0 0 56 -12,-1.6 -11,-0.2 1,-0.3 -10,-0.1 0.702 124.3 32.7 -65.5 -17.0 19.8 10.8 36.6 71 71 A W T >> S+ 0 0 7 -12,-2.0 4,-2.1 -13,-0.2 3,-1.5 -0.197 77.2 143.8-130.3 39.6 20.1 14.5 37.3 72 72 A E T <4 S+ 0 0 53 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.1 0.840 72.9 47.4 -47.7 -45.7 23.9 14.8 37.1 73 73 A A T 34 S+ 0 0 53 1,-0.2 -1,-0.3 -4,-0.2 3,-0.1 0.657 114.7 47.8 -75.4 -15.4 23.9 18.2 35.5 74 74 A M T <4 S+ 0 0 1 -3,-1.5 7,-2.9 -15,-0.2 2,-0.5 0.821 106.5 53.5 -93.7 -36.6 21.4 19.6 37.9 75 75 A V E < S+j 81 0D 1 -4,-2.1 -14,-0.2 -16,-0.3 7,-0.2 -0.901 81.2 67.5-110.5 122.8 22.7 18.5 41.3 76 76 A G E > S-j 82 0D 7 5,-1.7 3,-2.0 -2,-0.5 7,-1.2 -0.937 85.8 -27.7 159.8 178.7 26.3 19.3 42.4 77 77 A P T 3 S- 0 0 94 0, 0.0 5,-0.1 0, 0.0 4,-0.0 -0.395 129.1 -4.9 -59.7 118.9 28.9 21.9 43.5 78 78 A G T 3 S+ 0 0 60 -2,-0.2 4,-0.1 1,-0.2 -3,-0.0 0.532 107.0 126.3 74.9 6.0 27.9 25.2 41.8 79 79 A K S < S- 0 0 70 -3,-2.0 -1,-0.2 2,-0.3 3,-0.2 -0.363 82.3 -83.7 -90.9 172.7 25.1 23.6 39.8 80 80 A P S S+ 0 0 23 0, 0.0 2,-1.0 0, 0.0 -5,-0.2 0.862 134.2 39.3 -40.3 -49.8 21.4 24.6 39.6 81 81 A V E S-j 75 0D 1 -7,-2.9 -5,-1.7 284,-0.0 2,-0.6 -0.833 99.7-151.8-104.1 87.3 20.7 22.7 42.8 82 82 A D E >> -j 76 0D 31 -2,-1.0 4,-2.4 -3,-0.2 3,-1.7 -0.511 17.5-163.5 -70.0 111.7 24.0 23.7 44.5 83 83 A T T 34 S+ 0 0 17 -7,-1.2 -45,-0.7 -2,-0.6 -1,-0.2 0.596 89.9 69.3 -70.2 -9.8 25.2 21.2 47.0 84 84 A D T 34 S+ 0 0 118 -8,-0.4 -1,-0.3 -47,-0.1 -2,-0.1 0.682 114.2 28.2 -78.0 -17.8 27.5 23.8 48.4 85 85 A L T <4 S+ 0 0 84 -3,-1.7 2,-0.3 1,-0.1 -2,-0.2 0.716 121.5 48.5-110.2 -33.7 24.3 25.5 49.6 86 86 A W < - 0 0 7 -4,-2.4 2,-0.9 -47,-0.1 -40,-0.2 -0.800 62.5-136.7-119.6 156.9 21.8 22.6 50.1 87 87 A H E - c 0 46A 25 -42,-2.7 -40,-2.6 -2,-0.3 2,-0.5 -0.900 37.2-157.0-102.8 96.7 21.6 19.2 51.7 88 88 A V E -Bc 36 47A 0 -52,-3.2 -52,-1.9 -2,-0.9 2,-0.6 -0.703 10.5-168.5 -84.6 124.8 19.7 17.5 48.9 89 89 A I E -Bc 35 48A 0 -42,-3.3 -40,-2.7 -2,-0.5 2,-0.5 -0.959 4.0-173.7-114.2 115.6 17.7 14.4 49.9 90 90 A C E -Bc 34 49A 0 -56,-2.7 -56,-2.0 -2,-0.6 2,-0.3 -0.939 7.3-162.0-111.3 131.0 16.5 12.3 47.0 91 91 A V E -Bc 33 50A 2 -42,-1.7 -40,-0.7 -2,-0.5 2,-0.5 -0.867 21.1-125.6-116.4 147.6 14.2 9.4 47.7 92 92 A N - 0 0 1 -60,-2.7 -60,-0.3 -2,-0.3 -36,-0.1 -0.771 45.9-107.9 -84.5 128.2 13.2 6.3 45.7 93 93 A S > - 0 0 5 -2,-0.5 3,-2.0 -41,-0.2 5,-0.2 -0.247 32.6-101.8 -59.6 142.9 9.4 6.3 45.5 94 94 A L T 3 S+ 0 0 1 1,-0.3 8,-0.2 29,-0.1 32,-0.1 -0.402 112.9 35.0 -60.5 140.7 7.5 3.8 47.6 95 95 A G T 3 S+ 0 0 0 6,-2.8 180,-0.3 1,-0.3 -1,-0.3 0.309 96.4 112.5 94.4 -10.6 6.4 1.0 45.2 96 96 A S < - 0 0 1 -3,-2.0 8,-0.3 5,-0.3 -1,-0.3 0.025 68.2-129.9 -79.6-165.2 9.5 1.3 43.1 97 97 A C S S+ 0 0 0 169,-0.1 -93,-2.8 -93,-0.1 4,-0.1 0.028 81.4 90.9-140.1 26.3 12.3 -1.3 42.7 98 98 A K S S- 0 0 19 -5,-0.2 -41,-0.3 -95,-0.2 3,-0.1 0.019 119.2 -54.4-112.5 24.6 15.5 0.7 43.4 99 99 A G S S+ 0 0 0 1,-0.6 2,-0.2 -94,-0.2 -94,-0.1 -0.129 110.4 100.2 133.1 -41.3 15.7 0.2 47.1 100 100 A S S S- 0 0 0 -7,-0.2 -1,-0.6 -68,-0.1 -69,-0.2 -0.512 88.7 -85.3 -77.9 148.4 12.3 1.3 48.5 101 101 A T S S+ 0 0 9 -71,-2.4 -6,-2.8 -2,-0.2 -5,-0.3 -0.262 70.2 132.9 -57.8 130.8 9.8 -1.4 49.3 102 102 A G S > S- 0 0 0 -7,-0.2 3,-1.9 -8,-0.2 12,-0.4 -0.853 70.2 -56.6-157.8-169.6 7.7 -2.5 46.3 103 103 A P T 3 S+ 0 0 0 0, 0.0 12,-3.3 0, 0.0 11,-0.2 0.773 130.4 51.4 -52.8 -31.8 6.4 -5.6 44.4 104 104 A A T 3 S+ 0 0 3 -8,-0.3 -102,-0.1 10,-0.2 -101,-0.1 0.577 92.8 97.3 -84.9 -9.0 10.0 -6.9 43.9 105 105 A S S < S- 0 0 7 -3,-1.9 9,-2.3 1,-0.1 2,-0.4 -0.363 86.0 -96.4 -78.1 158.7 10.8 -6.6 47.6 106 106 A T E -K 113 0E 86 7,-0.3 -1,-0.1 8,-0.1 -2,-0.1 -0.623 28.8-135.3 -80.0 127.6 10.6 -9.5 50.1 107 107 A D E >>> -K 112 0E 21 5,-3.2 4,-3.3 -2,-0.4 3,-1.5 -0.738 10.3-147.0 -81.3 116.1 7.4 -9.7 52.1 108 108 A P T 345S+ 0 0 80 0, 0.0 -1,-0.2 0, 0.0 -80,-0.1 0.757 95.3 61.6 -55.9 -24.7 8.5 -10.4 55.7 109 109 A R T 345S+ 0 0 227 1,-0.1 -3,-0.0 -82,-0.1 -2,-0.0 0.801 121.9 18.6 -73.0 -27.7 5.3 -12.4 56.2 110 110 A T T <45S- 0 0 83 -3,-1.5 -1,-0.1 2,-0.3 -4,-0.0 0.623 90.8-128.9-116.5 -22.0 6.2 -14.9 53.5 111 111 A G T <5S+ 0 0 45 -4,-3.3 -5,-0.1 1,-0.3 3,-0.0 0.573 80.7 98.8 79.4 7.6 9.9 -14.6 52.9 112 112 A E E + 0 0 13 -9,-2.3 3,-2.2 -12,-0.4 -10,-0.2 0.926 43.9 165.6 -62.8 -45.7 5.3 -9.5 47.2 115 115 A R G > S- 0 0 55 -12,-3.3 3,-1.4 1,-0.3 -1,-0.2 -0.403 77.2 -13.3 58.2-135.1 4.7 -9.6 43.4 116 116 A L G 3 S+ 0 0 25 1,-0.3 -1,-0.3 85,-0.2 -2,-0.1 0.398 126.8 78.5 -78.5 7.3 1.0 -8.8 43.0 117 117 A S G < + 0 0 78 -3,-2.2 -1,-0.3 -14,-0.2 -2,-0.2 0.514 66.3 110.8 -88.9 -5.4 0.3 -9.2 46.7 118 118 A F S < S- 0 0 3 -3,-1.4 3,-0.1 1,-0.1 -92,-0.1 -0.473 84.6-100.1 -66.1 138.1 1.8 -5.7 47.3 119 119 A P - 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0 0 108 -3,-0.8 3,-2.1 -4,-0.4 -2,-0.1 0.881 69.6 -59.2 48.7 46.7 2.3 -18.3 14.6 571 201 B Q G 3 5S- 0 0 137 1,-0.3 -1,-0.3 -7,-0.2 -85,-0.2 0.799 106.1 -50.6 55.2 29.2 4.7 -16.8 12.1 572 202 B G G < 5S+ 0 0 0 -3,-1.6 3,-0.4 -87,-0.1 -1,-0.3 0.478 119.6 107.3 89.9 3.5 1.7 -15.9 10.0 573 203 B H T < 5 + 0 0 102 -3,-2.1 -3,-0.2 -4,-0.5 3,-0.1 -0.032 33.8 114.6-104.3 30.7 0.1 -19.4 10.1 574 204 B Y > < + 0 0 10 -5,-0.7 3,-2.5 1,-0.2 5,-0.2 0.820 42.2 158.5 -67.1 -31.4 -2.8 -18.5 12.4 575 205 B D T 3 S- 0 0 46 -3,-0.4 -1,-0.2 1,-0.3 -203,-0.1 -0.158 70.9 -6.0 46.5-119.8 -5.2 -19.2 9.6 576 206 B E T 3 S+ 0 0 136 -3,-0.1 -1,-0.3 -205,-0.1 -2,-0.1 0.551 113.1 100.4 -82.6 -8.4 -8.7 -19.9 11.0 577 207 B G S < S- 0 0 42 -3,-2.5 -3,-0.0 -4,-0.1 -9,-0.0 -0.068 99.4 -88.0 -66.6 177.7 -7.5 -19.9 14.6 578 208 B E - 0 0 157 1,-0.1 -1,-0.1 2,-0.0 3,-0.1 0.848 65.5-166.9 -57.6 -33.3 -8.1 -16.8 16.8 579 209 B G - 0 0 7 -5,-0.2 2,-2.2 1,-0.2 3,-0.4 -0.165 48.7 -32.9 73.1-173.1 -4.8 -15.5 15.6 580 210 B P S > S+ 0 0 1 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.312 78.3 148.7 -77.9 57.3 -3.0 -12.5 17.2 581 211 B R H > + 0 0 56 -2,-2.2 4,-2.4 1,-0.2 5,-0.2 0.884 69.7 54.7 -59.0 -40.2 -6.2 -10.8 18.2 582 212 B R H > S+ 0 0 93 -3,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.946 110.2 46.0 -58.3 -50.2 -4.5 -9.3 21.2 583 213 B G H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.863 110.6 52.9 -61.9 -38.3 -1.8 -7.8 19.1 584 214 B M H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.907 107.1 52.3 -64.5 -42.6 -4.3 -6.4 16.5 585 215 B L H X S+ 0 0 15 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.952 113.0 44.4 -56.9 -51.3 -6.3 -4.7 19.2 586 216 B T H X S+ 0 0 23 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.882 108.6 57.1 -61.6 -41.5 -3.2 -3.0 20.5 587 217 B A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.939 110.8 44.6 -56.0 -45.9 -2.0 -2.1 17.0 588 218 B R H X S+ 0 0 55 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.884 112.1 51.6 -66.8 -39.8 -5.3 -0.3 16.5 589 219 B K H X S+ 0 0 33 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.940 110.2 48.2 -62.9 -48.0 -5.2 1.4 19.9 590 220 B L H X S+ 0 0 11 -4,-3.0 4,-1.1 2,-0.2 -1,-0.2 0.916 114.0 48.4 -58.8 -43.2 -1.7 2.8 19.4 591 221 B G H >X S+ 0 0 0 -4,-2.0 4,-1.4 -5,-0.3 3,-1.2 0.967 109.6 50.4 -61.3 -54.0 -2.8 4.0 15.9 592 222 B M H 3X S+ 0 0 6 -4,-3.0 4,-0.7 1,-0.3 3,-0.3 0.861 107.4 54.6 -53.0 -40.4 -5.9 5.7 17.2 593 223 B M H 3< S+ 0 0 5 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.773 111.8 44.3 -66.8 -25.9 -4.0 7.5 19.9 594 224 B T H << S+ 0 0 15 -3,-1.2 92,-0.5 -4,-1.1 124,-0.3 0.633 102.4 67.2 -92.8 -14.7 -1.6 9.0 17.3 595 225 B Y H < S+ 0 0 34 -4,-1.4 124,-2.1 -3,-0.3 2,-0.4 0.645 102.4 42.9 -80.9 -17.6 -4.3 9.9 14.8 596 226 B R S < S- 0 0 33 -4,-0.7 120,-0.2 121,-0.2 5,-0.1 -0.984 97.4 -90.2-132.3 144.2 -5.9 12.7 16.9 597 227 B S > - 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0 0 86 -3,-1.5 14,-2.9 13,-0.1 15,-0.4 -0.300 40.4-136.5 -57.2 128.5 -14.5 10.4 33.3 609 239 B R B -A 621 0O 101 12,-0.3 12,-0.3 1,-0.1 -1,-0.1 -0.448 36.1 -78.3 -83.3 161.0 -14.7 6.8 34.6 610 240 B I > - 0 0 30 10,-2.1 3,-1.0 1,-0.2 -1,-0.1 -0.322 32.4-144.3 -59.2 136.0 -16.5 4.0 32.7 611 241 B G T 3 S+ 0 0 71 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.703 96.3 71.4 -75.4 -19.0 -20.3 4.2 33.3 612 242 B E T 3 0 0 161 1,-0.2 -1,-0.2 0, 0.0 -2,-0.1 0.564 360.0 360.0 -71.8 -8.1 -20.5 0.4 33.3 613 243 B R < 0 0 252 -3,-1.0 -1,-0.2 7,-0.1 -3,-0.1 -0.299 360.0 360.0 68.5 360.0 -18.7 0.6 36.7 614 ! 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 0.0 615 249 B G 0 0 136 0, 0.0 2,-0.5 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 2.2 -10.4 -8.1 37.4 616 250 B R - 0 0 109 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.982 360.0 -11.2-126.4 124.2 -6.9 -6.8 38.0 617 251 B F S S+ 0 0 21 -2,-0.5 -1,-0.1 1,-0.1 3,-0.1 0.788 94.7 152.2 60.8 29.1 -5.5 -3.6 36.4 618 252 B G - 0 0 31 1,-0.2 -1,-0.1 2,-0.0 2,-0.0 -0.140 54.2 -61.0 -78.8-178.5 -8.4 -3.7 34.0 619 253 B P + 0 0 83 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.322 52.7 161.6 -65.9 146.4 -9.9 -0.6 32.3 620 254 B E + 0 0 52 1,-0.1 -10,-2.1 -3,-0.1 2,-0.3 0.507 51.9 73.7-136.4 -24.0 -11.3 2.2 34.5 621 255 B F B >> S-A 609 0O 1 -12,-0.3 4,-1.7 1,-0.1 3,-1.1 -0.768 76.6-127.1-102.6 144.2 -11.5 5.3 32.3 622 256 B E H 3> S+ 0 0 66 -14,-2.9 4,-2.9 -2,-0.3 5,-0.2 0.851 111.2 60.8 -53.3 -37.0 -14.0 6.0 29.5 623 257 B V H 3> S+ 0 0 1 -15,-0.4 4,-2.1 -17,-0.3 -1,-0.3 0.884 105.1 49.3 -60.2 -35.3 -11.1 6.7 27.2 624 258 B E H <> S+ 0 0 13 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.904 111.1 47.6 -68.7 -43.3 -9.9 3.2 27.8 625 259 B S H X S+ 0 0 30 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.898 110.9 53.0 -63.9 -40.9 -13.4 1.7 27.1 626 260 B Y H X S+ 0 0 50 -4,-2.9 4,-1.9 2,-0.2 5,-0.2 0.939 110.3 46.6 -59.5 -50.0 -13.6 3.8 23.9 627 261 B L H X S+ 0 0 5 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.919 112.4 49.1 -60.5 -46.3 -10.3 2.6 22.6 628 262 B D H X S+ 0 0 67 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.893 108.0 56.0 -62.2 -39.3 -11.1 -1.1 23.3 629 263 B F H X S+ 0 0 120 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.931 114.7 36.5 -58.6 -49.9 -14.5 -0.8 21.6 630 264 B H H X S+ 0 0 33 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.801 111.7 60.3 -75.4 -28.7 -13.1 0.5 18.3 631 265 B A H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.888 102.1 54.9 -64.3 -38.1 -10.0 -1.7 18.5 632 266 B Q H X S+ 0 0 52 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.915 104.0 53.0 -60.6 -46.4 -12.3 -4.8 18.6 633 267 B R H X S+ 0 0 144 -4,-1.1 4,-0.7 2,-0.2 -1,-0.2 0.876 111.9 45.7 -58.8 -40.2 -14.0 -3.8 15.4 634 268 B F H >< S+ 0 0 23 -4,-1.5 3,-1.4 2,-0.2 4,-0.2 0.957 112.2 49.3 -67.4 -51.8 -10.7 -3.5 13.6 635 269 B A H 3< S+ 0 0 17 -4,-2.6 3,-0.5 1,-0.3 -2,-0.2 0.790 110.2 54.8 -58.0 -28.2 -9.4 -6.7 14.9 636 270 B D H 3< S+ 0 0 85 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.665 116.2 34.4 -80.7 -17.8 -12.6 -8.3 13.8 637 271 B R S << S+ 0 0 125 -3,-1.4 2,-0.3 -4,-0.7 -1,-0.2 0.012 103.3 73.5-129.8 32.2 -12.4 -7.2 10.2 638 272 B F - 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