==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-NOV-12 4HZN . COMPND 2 MOLECULE: BIFUNCTIONAL METHYLMALONYL-COA:ACP . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES ATROOLIVACEUS; . AUTHOR J.R.LOHMAN,C.A.BINGMAN,G.N.PHILLIPS JR.,B.SHEN,ENZYME DISCOV . 299 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13766.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 67.9 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 . 94 31.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 1 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 . 22 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 0 1 1 0 0 0 0 1 0 0 0 0 0 1 1 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 . 3 1 1 0 1 2 1 1 3 1 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 0 1 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 11 A P 0 0 155 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 115.8 6.3 9.4 9.9 2 12 A E - 0 0 82 80,-0.1 2,-0.6 1,-0.1 80,-0.2 -0.287 360.0-120.7 -60.6 151.5 8.0 12.4 11.5 3 13 A I E -A 81 0A 52 78,-3.1 78,-2.6 2,-0.0 2,-0.4 -0.892 28.1-174.6-108.7 117.2 9.3 12.0 15.1 4 14 A K E +A 80 0A 71 -2,-0.6 2,-0.3 76,-0.2 76,-0.2 -0.867 8.1 171.1-104.8 141.6 8.0 14.2 17.9 5 15 A Q E -A 79 0A 61 74,-2.0 74,-2.8 -2,-0.4 2,-0.5 -0.995 33.2-125.4-148.4 149.3 9.3 14.1 21.4 6 16 A A E -A 78 0A 96 -2,-0.3 2,-0.4 72,-0.2 72,-0.2 -0.824 34.8-168.0 -89.7 131.9 8.9 16.1 24.6 7 17 A V E -A 77 0A 12 70,-2.8 70,-3.5 -2,-0.5 2,-0.5 -0.989 17.5-157.1-131.7 125.4 12.4 17.2 25.9 8 18 A T E -A 76 0A 55 -2,-0.4 2,-0.2 68,-0.2 68,-0.2 -0.897 37.1-109.8 -96.4 129.5 13.5 18.7 29.2 9 19 A V - 0 0 5 66,-2.5 65,-2.3 -2,-0.5 66,-0.1 -0.418 39.4-167.2 -65.0 123.2 16.7 20.6 29.0 10 20 A R > - 0 0 109 -2,-0.2 3,-2.1 63,-0.2 4,-0.1 -0.741 36.1-110.9-106.9 156.0 19.5 18.8 30.8 11 21 A P G > S+ 0 0 78 0, 0.0 3,-1.0 0, 0.0 8,-0.1 0.835 116.5 65.5 -53.7 -30.4 23.0 20.1 31.7 12 22 A G G 3 S+ 0 0 38 1,-0.2 11,-0.1 7,-0.0 10,-0.0 0.379 105.8 40.7 -75.2 5.7 24.3 17.7 29.0 13 23 A X G < S+ 0 0 0 -3,-2.1 2,-0.3 9,-0.1 -1,-0.2 0.143 109.2 46.8-142.7 22.5 22.6 19.6 26.2 14 24 A C < + 0 0 10 -3,-1.0 3,-0.2 -4,-0.1 5,-0.2 -0.905 59.5 80.0-149.7-178.4 23.0 23.4 26.9 15 25 A G S S- 0 0 46 56,-0.4 5,-0.3 53,-0.4 56,-0.1 -0.394 89.8 -55.7 105.5 177.2 25.4 26.1 27.9 16 26 A P S S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 53,-0.1 0.541 114.2 76.1 -72.7 -5.9 28.1 28.2 26.1 17 27 A G S S- 0 0 47 -3,-0.2 3,-0.3 204,-0.0 4,-0.2 0.104 102.4 -89.0 -85.9-157.5 29.9 25.0 25.0 18 28 A S S > S+ 0 0 20 1,-0.2 4,-2.2 2,-0.1 5,-0.1 0.064 88.3 110.5-107.7 21.1 29.0 22.5 22.2 19 29 A L H > S+ 0 0 88 -5,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.851 78.7 50.9 -64.6 -37.2 26.7 20.2 24.3 20 30 A F H > S+ 0 0 10 -3,-0.3 4,-2.6 -5,-0.3 -1,-0.2 0.943 111.0 48.2 -64.1 -48.8 23.5 21.4 22.5 21 31 A V H > S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.879 110.4 52.7 -59.9 -40.6 25.1 20.7 19.1 22 32 A G H X S+ 0 0 3 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.919 109.9 47.8 -59.7 -44.3 26.3 17.3 20.3 23 33 A Q H X S+ 0 0 18 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.903 110.4 52.0 -65.3 -42.8 22.7 16.4 21.4 24 34 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.912 109.7 49.9 -55.0 -48.0 21.4 17.6 18.0 25 35 A G H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.873 109.6 50.9 -59.7 -42.6 23.9 15.4 16.2 26 36 A D H X S+ 0 0 69 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.919 109.2 50.6 -59.5 -48.1 22.8 12.4 18.4 27 37 A W H X S+ 0 0 9 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.866 107.5 54.9 -60.3 -36.6 19.1 13.1 17.5 28 38 A T H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.944 108.5 47.1 -60.1 -48.6 20.1 13.1 13.9 29 39 A W H X S+ 0 0 48 -4,-2.0 4,-1.7 1,-0.2 11,-0.4 0.886 115.1 47.2 -60.2 -39.5 21.7 9.7 14.2 30 40 A E H X S+ 0 0 94 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.914 112.6 48.8 -66.2 -44.1 18.6 8.4 16.0 31 41 A T H X S+ 0 0 4 -4,-2.8 4,-1.9 1,-0.2 5,-0.2 0.928 112.9 46.1 -63.9 -49.1 16.2 9.9 13.4 32 42 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 6,-0.4 0.879 109.8 56.8 -57.5 -40.5 18.1 8.5 10.4 33 43 A S H <>S+ 0 0 26 -4,-1.7 5,-0.8 -5,-0.3 4,-0.3 0.885 112.2 41.0 -60.0 -40.3 18.2 5.1 12.3 34 44 A A H <5S+ 0 0 71 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.770 123.1 37.8 -80.0 -28.5 14.4 5.1 12.6 35 45 A Q H <5S+ 0 0 40 -4,-1.9 120,-0.2 -5,-0.2 -2,-0.2 0.671 117.7 44.8-100.6 -18.2 13.6 6.4 9.1 36 46 A C T <5S- 0 0 0 -4,-2.6 116,-2.0 2,-0.2 -2,-0.1 0.172 102.1-119.3-117.0 16.0 16.3 4.7 6.9 37 47 A D T 5S+ 0 0 109 -4,-0.3 2,-0.3 114,-0.2 -3,-0.1 0.789 76.9 108.5 59.6 36.8 16.1 1.2 8.3 38 48 A T S - 0 0 92 -2,-0.3 3,-0.8 1,-0.2 4,-0.1 -0.689 29.1-171.1 -76.3 97.6 21.4 1.2 12.9 40 50 A V G > S+ 0 0 2 -2,-1.2 3,-1.0 -11,-0.4 13,-0.3 0.852 78.7 59.7 -58.8 -37.1 23.5 4.4 12.3 41 51 A F G 3 S+ 0 0 101 1,-0.2 -1,-0.2 -12,-0.1 -2,-0.1 0.794 118.4 27.4 -65.3 -30.5 25.5 3.9 15.6 42 52 A A G < S+ 0 0 66 -3,-0.8 -1,-0.2 2,-0.1 -2,-0.2 0.005 88.0 151.5-122.1 26.4 26.8 0.5 14.6 43 53 A A < + 0 0 11 -3,-1.0 8,-2.0 8,-0.2 2,-0.3 -0.294 16.8 177.3 -69.7 141.2 26.8 0.8 10.8 44 54 A R B -L 50 0B 157 6,-0.3 2,-0.1 -2,-0.0 -2,-0.1 -0.983 25.6-122.2-139.5 148.2 29.4 -1.1 8.7 45 55 A D > - 0 0 32 4,-2.6 3,-2.3 -2,-0.3 6,-0.0 -0.308 47.7 -86.4 -80.2 176.9 30.0 -1.5 5.0 46 56 A A T 3 S+ 0 0 95 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.808 128.6 54.3 -57.5 -33.1 30.0 -5.0 3.3 47 57 A S T 3 S- 0 0 104 2,-0.1 -1,-0.3 1,-0.0 0, 0.0 0.527 122.1-104.1 -79.1 -3.6 33.6 -5.6 4.1 48 58 A G S < S+ 0 0 41 -3,-2.3 -2,-0.1 1,-0.3 -1,-0.0 0.525 72.5 144.8 93.0 8.2 33.0 -5.0 7.8 49 59 A N - 0 0 55 1,-0.1 -4,-2.6 84,-0.0 -1,-0.3 -0.637 56.8-110.8 -78.9 129.8 34.6 -1.5 7.9 50 60 A P B -L 44 0B 37 0, 0.0 84,-0.5 0, 0.0 2,-0.4 -0.403 33.2-158.5 -62.3 135.6 32.8 0.9 10.3 51 61 A T E -B 133 0A 2 -8,-2.0 2,-0.4 82,-0.1 82,-0.2 -0.979 2.7-151.7-118.3 133.4 31.1 3.6 8.4 52 62 A Y E -B 132 0A 39 80,-2.6 80,-2.4 -2,-0.4 2,-2.1 -0.852 19.5-132.3-110.7 135.9 30.2 6.9 10.0 53 63 A L E -B 131 0A 0 -2,-0.4 78,-0.2 -13,-0.3 37,-0.0 -0.542 43.3-162.7 -81.4 72.7 27.3 9.2 9.2 54 64 A A E -B 130 0A 26 -2,-2.1 76,-2.1 76,-1.1 2,-0.4 -0.193 18.1-112.4 -62.1 146.4 29.7 12.2 9.2 55 65 A F E +B 129 0A 12 74,-0.2 74,-0.2 1,-0.2 3,-0.1 -0.667 40.8 162.5 -82.1 128.8 28.4 15.8 9.4 56 66 A Y E + 0 0 46 72,-2.9 194,-2.7 1,-0.4 2,-0.4 0.730 69.5 20.1-112.1 -44.6 29.0 17.9 6.3 57 67 A Y E +BC 128 249A 0 71,-1.9 71,-3.3 192,-0.2 -1,-0.4 -0.999 64.7 178.1-132.1 134.6 26.6 20.8 6.7 58 68 A F E +BC 127 248A 0 190,-2.5 190,-2.4 -2,-0.4 2,-0.4 -0.988 1.0 177.6-139.7 118.7 25.1 22.0 10.0 59 69 A R E -BC 126 247A 30 67,-2.5 67,-2.2 -2,-0.4 2,-0.5 -0.993 9.5-176.2-125.5 134.2 22.8 25.0 10.5 60 70 A V E +BC 125 246A 8 186,-2.6 186,-1.7 -2,-0.4 2,-0.5 -0.964 13.4 179.3-124.6 112.4 21.2 26.2 13.7 61 71 A R E +BC 124 245A 49 63,-2.7 63,-3.3 -2,-0.5 184,-0.3 -0.962 16.7 134.5-118.4 124.4 18.9 29.2 13.2 62 72 A G - 0 0 16 182,-3.1 2,-0.3 -2,-0.5 5,-0.3 -0.229 33.3-139.0-130.6-133.7 16.9 30.9 15.9 63 73 A G B > -M 66 0C 8 3,-1.7 3,-0.7 180,-0.2 180,-0.1 -0.954 43.0 -66.4 179.4 179.2 16.3 34.5 16.9 64 74 A R T 3 S+ 0 0 149 -2,-0.3 3,-0.3 1,-0.2 -1,-0.1 0.892 129.2 52.7 -53.3 -45.1 16.0 36.8 19.9 65 75 A E T 3 S+ 0 0 138 1,-0.3 -1,-0.2 -3,-0.1 2,-0.2 0.759 130.4 7.6 -66.5 -27.4 12.8 35.1 21.1 66 76 A L B < S+M 63 0C 1 -3,-0.7 -3,-1.7 56,-0.2 -1,-0.3 -0.772 74.0 143.3-159.3 117.0 14.6 31.7 21.0 67 77 A H > - 0 0 23 -5,-0.3 3,-1.9 -3,-0.3 4,-0.5 -0.843 64.3 -90.1-138.9 172.3 18.2 30.9 20.4 68 78 A P G > S+ 0 0 38 0, 0.0 3,-1.2 0, 0.0 -53,-0.4 0.849 125.3 59.1 -59.0 -33.4 20.6 28.2 21.8 69 79 A G G 3 S+ 0 0 62 1,-0.2 173,-0.0 174,-0.2 -55,-0.0 0.600 94.5 65.5 -66.7 -16.2 21.6 30.6 24.6 70 80 A S G < S+ 0 0 29 -3,-1.9 2,-0.3 2,-0.0 -1,-0.2 0.695 80.5 101.1 -73.4 -24.2 18.0 30.9 25.7 71 81 A L < + 0 0 9 -3,-1.2 -56,-0.4 -4,-0.5 2,-0.3 -0.507 48.0 165.6 -77.2 126.3 18.0 27.2 26.8 72 82 A T > - 0 0 80 -2,-0.3 3,-2.1 -58,-0.1 -63,-0.3 -0.904 45.3 -64.5-136.5 164.4 18.4 26.6 30.5 73 83 A F T 3 S+ 0 0 135 -2,-0.3 -63,-0.2 1,-0.2 3,-0.1 -0.145 118.1 14.9 -51.3 132.5 17.9 23.6 32.9 74 84 A G T 3 S+ 0 0 43 -65,-2.3 -1,-0.2 1,-0.3 -64,-0.1 0.212 83.3 144.3 90.5 -15.8 14.3 22.4 33.2 75 85 A D < - 0 0 35 -3,-2.1 -66,-2.5 -67,-0.1 2,-0.6 -0.312 47.6-131.1 -55.6 138.5 13.0 24.2 30.1 76 86 A R E +A 8 0A 163 -68,-0.2 24,-3.0 24,-0.1 2,-0.3 -0.851 31.8 178.6-100.9 123.3 10.3 22.1 28.4 77 87 A L E -AD 7 99A 1 -70,-3.5 -70,-2.8 -2,-0.6 2,-0.4 -0.825 25.7-144.7-120.1 157.3 10.7 21.7 24.6 78 88 A T E -AD 6 98A 13 20,-2.9 20,-2.2 -2,-0.3 2,-0.5 -0.992 20.3-161.3-118.4 132.5 9.0 19.9 21.8 79 89 A V E -AD 5 97A 0 -74,-2.8 -74,-2.0 -2,-0.4 2,-0.5 -0.967 6.4-168.1-119.6 127.3 11.3 18.5 19.1 80 90 A T E +AD 4 96A 0 16,-2.7 16,-2.6 -2,-0.5 2,-0.4 -0.976 14.6 178.0-119.0 121.1 10.1 17.6 15.7 81 91 A S E +AD 3 95A 0 -78,-2.6 -78,-3.1 -2,-0.5 2,-0.3 -0.944 8.6 157.2-129.3 142.3 12.5 15.6 13.5 82 92 A G E - D 0 94A 2 12,-1.8 12,-2.7 -2,-0.4 2,-0.3 -0.975 30.1-124.3-160.3 151.0 12.4 14.1 10.0 83 93 A C E - D 0 93A 1 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.696 17.8-152.9-100.0 153.5 14.7 13.0 7.2 84 94 A Y E - D 0 92A 12 8,-3.3 8,-2.0 -2,-0.3 2,-0.2 -0.971 28.1 -99.7-128.7 142.3 14.8 14.1 3.6 85 95 A D E + D 0 91A 25 72,-2.7 74,-0.5 -2,-0.4 6,-0.1 -0.371 43.4 158.8 -64.4 122.0 16.0 12.3 0.5 86 96 A Q - 0 0 19 4,-0.6 3,-0.4 1,-0.6 2,-0.2 -0.092 63.1 -96.3-125.5 25.0 19.5 13.3 -0.7 87 97 A G - 0 0 26 1,-0.2 -1,-0.6 66,-0.1 3,-0.1 -0.514 60.6 -40.2 92.7-156.6 20.0 10.1 -2.6 88 98 A T S S+ 0 0 82 1,-0.2 -1,-0.2 -2,-0.2 63,-0.1 0.546 128.3 36.2 -94.7 -12.3 21.7 6.9 -1.8 89 99 A E S S+ 0 0 86 -3,-0.4 42,-2.1 58,-0.1 2,-0.3 0.398 116.7 34.6-125.4 -7.7 24.9 7.9 0.1 90 100 A S E - E 0 130A 2 40,-0.2 -4,-0.6 -4,-0.2 2,-0.3 -0.861 59.8-158.5-145.3 173.3 23.8 10.9 2.1 91 101 A V E -DE 85 129A 0 38,-2.3 38,-2.9 -2,-0.3 2,-0.5 -0.975 13.2-138.0-161.1 143.7 20.8 12.3 4.0 92 102 A L E -DE 84 128A 0 -8,-2.0 -8,-3.3 -2,-0.3 2,-0.4 -0.926 20.0-167.4-105.6 130.6 19.3 15.6 5.3 93 103 A T E -DE 83 127A 0 34,-2.8 34,-2.5 -2,-0.5 2,-0.4 -0.976 2.3-160.8-119.9 131.1 17.8 15.6 8.8 94 104 A L E -DE 82 126A 0 -12,-2.7 -12,-1.8 -2,-0.4 2,-0.4 -0.865 6.0-173.1-107.6 143.9 15.7 18.5 10.1 95 105 A H E -DE 81 125A 0 30,-2.0 30,-3.1 -2,-0.4 2,-0.4 -0.992 3.7-167.1-132.5 126.9 14.9 19.3 13.7 96 106 A R E -DE 80 124A 0 -16,-2.6 -16,-2.7 -2,-0.4 2,-0.5 -0.967 7.9-163.6-110.3 134.5 12.4 22.0 14.8 97 107 A I E +DE 79 123A 0 26,-2.5 26,-2.6 -2,-0.4 2,-0.3 -0.980 13.3 168.9-120.9 123.5 12.5 23.0 18.5 98 108 A D E -DE 78 122A 0 -20,-2.2 -20,-2.9 -2,-0.5 2,-0.1 -0.935 44.2 -99.4-124.4 151.9 9.6 25.0 20.1 99 109 A R E > -D 77 0A 85 22,-0.6 3,-1.7 -2,-0.3 -22,-0.3 -0.511 57.0 -95.8 -62.6 140.2 9.0 25.7 23.8 100 110 A A T 3 S+ 0 0 50 -24,-3.0 -24,-0.1 1,-0.3 -1,-0.1 -0.354 108.2 14.9 -63.6 139.1 6.4 23.1 24.9 101 111 A G T 3 S+ 0 0 83 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.624 91.6 139.4 68.0 11.9 2.8 24.5 24.9 102 112 A S S X S- 0 0 46 -3,-1.7 3,-1.3 1,-0.1 2,-0.3 -0.379 71.1 -67.2 -71.5 165.4 3.8 27.4 22.7 103 113 A D T 3 S- 0 0 93 1,-0.2 -1,-0.1 2,-0.1 -4,-0.1 -0.421 115.7 -8.9 -60.2 118.1 1.4 28.4 19.9 104 114 A D T > S+ 0 0 99 -2,-0.3 3,-1.3 1,-0.1 -1,-0.2 0.778 79.5 147.9 68.0 32.4 1.2 25.7 17.2 105 115 A A T < + 0 0 7 -3,-1.3 -2,-0.1 1,-0.2 -7,-0.1 0.677 67.0 65.5 -68.6 -17.1 4.2 23.6 18.5 106 116 A Q T 3 S+ 0 0 146 -4,-0.2 -1,-0.2 -102,-0.0 -2,-0.1 0.586 74.8 119.7 -80.9 -12.4 2.4 20.5 17.2 107 117 A R < - 0 0 18 -3,-1.3 3,-0.1 1,-0.1 2,-0.0 -0.131 65.5-115.5 -56.9 147.1 2.7 21.6 13.5 108 118 A P - 0 0 82 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.221 46.4 -69.1 -77.3 175.0 4.6 19.2 11.2 109 119 A L - 0 0 14 -28,-0.1 2,-0.5 -15,-0.1 -28,-0.0 -0.414 48.5-163.4 -66.0 139.1 7.9 20.1 9.5 110 120 A D > - 0 0 69 1,-0.1 4,-2.4 -2,-0.1 3,-0.2 -0.951 13.2-160.4-131.2 108.4 7.4 22.7 6.8 111 121 A L H > S+ 0 0 28 -2,-0.5 4,-3.1 1,-0.2 5,-0.4 0.881 95.3 54.7 -56.2 -41.9 10.2 23.1 4.2 112 122 A H H >>S+ 0 0 77 2,-0.2 4,-2.7 1,-0.2 5,-2.6 0.911 108.9 49.0 -57.4 -45.2 9.0 26.6 3.3 113 123 A E H 45S+ 0 0 4 3,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.959 115.3 44.5 -57.4 -51.4 9.2 27.6 7.0 114 124 A F H <5S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.889 126.5 26.9 -61.0 -45.4 12.8 26.2 7.3 115 125 A Y H <5S+ 0 0 41 -4,-3.1 -3,-0.2 -5,-0.2 -1,-0.2 0.736 137.8 12.3 -98.7 -24.5 14.2 27.6 4.1 116 126 A E T <5S+ 0 0 119 -4,-2.7 -3,-0.2 -5,-0.4 -2,-0.1 0.735 127.4 30.6-124.7 -40.1 12.2 30.8 3.4 117 127 A R < + 0 0 181 -5,-2.6 2,-0.1 2,-0.0 -2,-0.1 -0.538 64.6 179.9-127.5 70.6 10.0 31.9 6.3 118 128 A P - 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0 0 78 -5,-1.8 -1,-0.2 1,-0.1 2,-0.2 -0.504 48.0-105.0 -88.4 161.1 35.3 43.3 24.8 234 244 A S > - 0 0 35 -2,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.462 11.3-124.5 -92.9 155.3 34.7 41.4 28.0 235 245 A D H > S+ 0 0 59 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.894 113.7 52.7 -56.3 -45.8 34.3 37.7 28.8 236 246 A R H > S+ 0 0 160 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.846 108.2 51.0 -61.6 -37.5 30.9 38.3 30.5 237 247 A A H >> S+ 0 0 19 2,-0.2 4,-1.1 1,-0.2 3,-0.8 0.886 105.7 56.1 -66.8 -39.9 29.7 40.1 27.3 238 248 A F H >< S+ 0 0 20 -4,-2.1 3,-0.5 1,-0.2 -2,-0.2 0.891 106.7 49.8 -57.2 -41.3 30.9 37.1 25.2 239 249 A L H 3< S+ 0 0 118 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.619 108.8 53.7 -75.2 -14.3 28.6 34.8 27.3 240 250 A R H << S+ 0 0 174 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.672 82.2 120.1 -87.9 -21.0 25.7 37.2 26.8 241 251 A R << - 0 0 42 -4,-1.1 2,-0.6 -3,-0.5 -172,-0.1 -0.048 58.7-136.4 -55.8 144.0 26.0 37.3 23.0 242 252 A V - 0 0 19 57,-1.1 57,-2.5 -174,-0.1 2,-0.9 -0.924 10.7-161.7-108.2 114.5 22.9 36.1 21.0 243 253 A V E + I 0 298A 23 -2,-0.6 55,-0.2 55,-0.2 -174,-0.2 -0.854 14.3 173.4 -97.1 99.7 23.7 33.8 18.1 244 254 A V E + 0 0 9 53,-1.7 -182,-3.1 -2,-0.9 2,-0.3 0.675 69.8 15.2 -81.0 -18.1 20.5 33.9 15.9 245 255 A D E +CI 61 297A 7 52,-1.2 52,-3.1 -184,-0.3 2,-0.3 -0.963 61.6 176.4-157.3 134.3 22.1 31.9 13.1 246 256 A Q E -CI 60 296A 22 -186,-1.7 -186,-2.6 -2,-0.3 2,-0.4 -0.962 5.8-170.5-143.5 131.5 25.1 29.7 12.7 247 257 A Q E -CI 59 295A 10 48,-2.0 48,-1.8 -2,-0.3 2,-0.4 -0.925 4.2-170.2-119.1 142.7 26.2 27.6 9.7 248 258 A X E -CI 58 294A 0 -190,-2.4 -190,-2.5 -2,-0.4 2,-0.5 -0.999 6.7-166.8-137.0 131.6 29.0 25.1 9.7 249 259 A C E -CI 57 293A 0 44,-2.9 44,-1.9 -2,-0.4 2,-0.6 -0.982 8.8-156.6-118.7 120.6 30.6 23.3 6.8 250 260 A Y E + I 0 292A 11 -194,-2.7 42,-0.3 -2,-0.5 3,-0.1 -0.883 19.2 168.1 -99.3 120.5 32.9 20.3 7.5 251 261 A L - 0 0 51 40,-3.1 2,-0.3 -2,-0.6 41,-0.2 0.735 63.6 -17.9 -99.8 -30.8 35.4 19.6 4.7 252 262 A G - 0 0 19 39,-1.5 -1,-0.3 37,-0.1 2,-0.2 -0.972 52.5-122.1-162.9 170.5 37.6 17.1 6.5 253 263 A N - 0 0 18 -113,-0.5 2,-0.3 -2,-0.3 -111,-0.1 -0.314 31.0-140.8-102.2-166.3 38.8 15.5 9.7 254 264 A A - 0 0 0 -2,-0.2 -43,-0.3 -113,-0.1 -113,-0.1 -0.965 19.9 -95.7-162.6 145.3 42.4 15.5 10.9 255 265 A D > - 0 0 43 -2,-0.3 3,-1.8 1,-0.1 -56,-0.1 -0.228 43.1-110.3 -61.7 155.7 44.9 13.2 12.6 256 266 A L T 3 S+ 0 0 62 1,-0.3 -1,-0.1 -47,-0.1 -55,-0.1 0.581 114.2 58.4 -77.0 -11.4 45.2 13.7 16.3 257 267 A D T 3 S+ 0 0 141 -59,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.344 83.3 125.4 -87.3 2.9 48.8 15.1 16.2 258 268 A S < - 0 0 11 -3,-1.8 -59,-2.5 -60,-0.1 2,-0.6 -0.292 54.5-146.0 -70.0 146.5 47.6 18.0 13.9 259 269 A V E -H 198 0A 64 -61,-0.2 27,-0.4 -63,-0.0 26,-0.4 -0.968 24.1-161.9-106.0 112.6 48.1 21.7 14.7 260 270 A L E -H 197 0A 0 -63,-2.8 -63,-3.9 -2,-0.6 2,-0.5 -0.564 9.7-138.8 -93.0 158.7 45.1 23.5 13.3 261 271 A T E -HJ 196 283A 13 22,-2.6 22,-2.7 -65,-0.2 2,-0.7 -0.980 9.4-155.3-119.7 129.8 44.8 27.2 12.5 262 272 A L E -HJ 195 282A 0 -67,-3.3 -67,-2.8 -2,-0.5 2,-0.4 -0.918 11.5-170.5-111.4 110.5 41.7 29.1 13.4 263 273 A G E +HJ 194 281A 22 18,-2.7 18,-2.5 -2,-0.7 2,-0.4 -0.855 6.8 179.5-103.4 135.9 41.1 32.2 11.4 264 274 A A E +HJ 193 280A 5 -71,-2.2 -71,-1.9 -2,-0.4 2,-0.3 -0.998 9.7 168.8-141.1 138.7 38.4 34.8 12.2 265 275 A R E - J 0 279A 61 14,-2.0 14,-2.0 -2,-0.4 2,-0.4 -0.901 17.9-144.8-140.0 165.5 37.1 38.1 10.8 266 276 A V E - J 0 278A 1 -75,-0.5 -77,-2.5 -2,-0.3 2,-0.4 -0.997 8.7-159.4-142.7 139.3 34.0 40.2 11.5 267 277 A R E -GJ 188 277A 4 10,-2.5 10,-2.8 -2,-0.4 2,-0.3 -0.973 17.4-152.3-112.0 132.5 31.6 42.4 9.8 268 278 A V E -GJ 187 276A 21 -81,-2.6 -81,-2.9 -2,-0.4 8,-0.2 -0.784 22.7-108.1-102.1 147.1 29.5 44.9 11.8 269 279 A S E -G 186 0A 20 6,-2.5 -83,-0.3 -2,-0.3 5,-0.2 -0.409 14.1-158.8 -69.8 146.7 26.1 46.2 10.7 270 280 A T S S+ 0 0 79 -85,-2.0 -84,-0.1 -2,-0.1 -1,-0.1 0.243 93.4 39.5-101.2 8.0 25.7 49.8 9.5 271 281 A E S S+ 0 0 156 -86,-0.5 -85,-0.1 1,-0.4 -2,-0.0 0.649 115.7 38.4-132.0 -34.6 22.0 49.7 10.3 272 282 A T S > S- 0 0 71 -87,-0.3 3,-1.1 3,-0.1 -1,-0.4 -0.998 82.5-125.9-122.5 126.3 21.5 47.9 13.6 273 283 A P T 3 S+ 0 0 126 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.433 90.9 18.9 -70.4 148.7 24.0 48.4 16.4 274 284 A G T 3 S+ 0 0 54 1,-0.2 2,-0.5 -5,-0.2 -6,-0.0 0.612 89.1 127.1 67.8 13.4 25.6 45.2 17.9 275 285 A E < + 0 0 28 -3,-1.1 -6,-2.5 24,-0.1 2,-0.3 -0.905 35.4 169.0 -97.7 130.8 24.7 43.0 14.9 276 286 A E E -JK 268 298A 12 22,-2.2 22,-2.6 -2,-0.5 2,-0.5 -0.984 34.3-144.6-142.7 150.7 27.7 41.2 13.5 277 287 A L E -JK 267 297A 0 -10,-2.8 -10,-2.5 -2,-0.3 2,-0.5 -0.977 20.3-167.6-116.1 117.2 28.8 38.4 11.1 278 288 A V E -JK 266 296A 9 18,-2.6 18,-3.1 -2,-0.5 2,-0.5 -0.923 2.1-162.5-106.9 124.0 31.8 36.4 12.3 279 289 A D E -JK 265 295A 3 -14,-2.0 -14,-2.0 -2,-0.5 2,-0.4 -0.918 7.2-173.0-106.8 130.4 33.5 34.1 9.8 280 290 A V E -JK 264 294A 0 14,-3.1 14,-2.9 -2,-0.5 2,-0.4 -0.989 5.9-168.9-126.5 131.6 35.8 31.4 11.0 281 291 A V E -JK 263 293A 26 -18,-2.5 -18,-2.7 -2,-0.4 2,-0.6 -0.974 10.1-152.5-119.1 131.0 37.9 29.1 8.9 282 292 A I E -JK 262 292A 0 10,-3.0 9,-2.8 -2,-0.4 10,-1.5 -0.933 21.5-173.7-104.2 122.6 39.7 26.0 10.4 283 293 A S E -JK 261 290A 34 -22,-2.7 -22,-2.6 -2,-0.6 2,-0.6 -0.910 29.7-154.9-118.4 143.0 42.8 25.1 8.5 284 294 A D E >>> - K 0 289A 9 5,-3.3 5,-1.6 -2,-0.4 3,-1.4 -0.826 22.2-171.8-107.9 85.2 45.3 22.2 8.6 285 295 A R G >45S+ 0 0 162 -2,-0.6 3,-1.2 -26,-0.4 -1,-0.2 0.826 75.8 57.4 -45.4 -47.5 48.3 24.1 7.2 286 296 A D G 345S+ 0 0 165 -27,-0.4 -1,-0.3 1,-0.3 -26,-0.1 0.750 113.9 38.5 -68.4 -22.4 50.6 21.2 6.9 287 297 A S G <45S- 0 0 49 -3,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.427 108.0-123.4-100.2 1.2 48.2 19.3 4.6 288 298 A G T <<5 + 0 0 72 -3,-1.2 2,-0.4 -4,-0.7 -3,-0.2 0.761 65.6 137.6 65.1 26.6 47.1 22.4 2.7 289 299 A R E < - K 0 284A 66 -5,-1.6 -5,-3.3 2,-0.0 2,-0.5 -0.895 53.8-147.8-113.7 132.4 43.5 21.7 3.7 290 300 A V E - K 0 283A 41 -2,-0.4 -7,-0.3 -7,-0.2 3,-0.1 -0.850 22.4-179.1 -78.4 124.2 40.6 24.0 4.9 291 301 A I E + 0 0 0 -9,-2.8 -40,-3.1 -2,-0.5 -39,-1.5 0.624 58.2 14.3-106.3 -14.0 38.7 21.5 7.1 292 302 A A E -IK 250 282A 1 -10,-1.5 -10,-3.0 -42,-0.3 2,-0.4 -0.984 51.4-165.9-161.0 148.0 35.8 23.8 8.3 293 303 A V E +IK 249 281A 0 -44,-1.9 -44,-2.9 -2,-0.3 2,-0.4 -0.999 16.1 178.9-134.1 134.3 34.1 27.0 7.6 294 304 A S E -IK 248 280A 0 -14,-2.9 -14,-3.1 -2,-0.4 2,-0.4 -0.998 14.8-165.2-138.4 143.3 31.6 28.7 9.9 295 305 A T E -IK 247 279A 4 -48,-1.8 -48,-2.0 -2,-0.4 2,-0.5 -0.997 8.9-162.7-125.8 127.9 29.6 31.9 9.9 296 306 A L E -IK 246 278A 0 -18,-3.1 -18,-2.6 -2,-0.4 2,-0.8 -0.947 6.0-158.1-110.1 120.4 27.9 33.3 13.1 297 307 A H E -IK 245 277A 22 -52,-3.1 -53,-1.7 -2,-0.5 -52,-1.2 -0.878 24.5-176.2 -93.6 107.4 25.2 35.8 12.9 298 308 A T E IK 243 276A 6 -22,-2.6 -22,-2.2 -2,-0.8 -55,-0.2 -0.778 360.0 360.0-108.4 152.3 25.2 37.6 16.3 299 309 A Q 0 0 76 -57,-2.5 -57,-1.1 -2,-0.3 -24,-0.1 -0.620 360.0 360.0-132.4 360.0 22.9 40.3 17.8