==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 18-MAY-07 2PZJ . COMPND 2 MOLECULE: PUTATIVE NUCLEOTIDE SUGAR EPIMERASE/ DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA BRONCHISEPTICA; . AUTHOR N.J.HARMER,J.D.KING,C.M.PALMER,D.MASKELL,T.L.BLUNDELL . 330 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14608.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 0 0.0 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 . 31 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 1 2 1 1 1 2 0 2 0 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 4 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 . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 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 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 8 A S > 0 0 94 0, 0.0 3,-1.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.9 28.2 21.4 -6.4 2 9 A K T 3 + 0 0 121 1,-0.2 0, 0.0 3,-0.0 0, 0.0 0.686 360.0 60.3 -58.4 -18.4 31.5 20.8 -4.6 3 10 A L T > S+ 0 0 0 2,-0.1 3,-1.9 3,-0.1 28,-0.3 0.599 73.9 120.5 -92.4 -8.6 29.7 17.6 -3.3 4 11 A A T < S+ 0 0 38 -3,-1.3 26,-0.3 1,-0.3 25,-0.2 -0.312 87.3 2.6 -53.8 132.3 29.0 16.1 -6.7 5 12 A N T 3 S+ 0 0 126 24,-2.8 -1,-0.3 1,-0.2 25,-0.2 0.619 102.4 133.9 63.6 19.6 30.7 12.6 -6.9 6 13 A T < - 0 0 14 -3,-1.9 25,-2.1 25,-0.0 26,-1.8 -0.506 58.7-120.8 -96.3 162.2 32.0 12.7 -3.4 7 14 A N E -a 32 0A 19 24,-0.2 67,-2.4 -2,-0.2 68,-1.5 -0.928 36.9-174.7-101.1 126.1 31.9 10.1 -0.6 8 15 A V E -ab 33 75A 1 24,-2.8 26,-3.1 -2,-0.6 2,-0.4 -0.934 19.4-152.6-126.9 140.8 30.0 11.3 2.4 9 16 A M E -ab 34 76A 0 66,-2.1 68,-2.7 -2,-0.4 2,-0.5 -0.963 7.6-166.9-106.4 133.2 29.3 9.9 5.9 10 17 A V E > -ab 35 77A 0 24,-2.4 26,-2.1 -2,-0.4 3,-1.5 -0.926 6.2-160.4-119.3 98.6 26.2 11.0 7.8 11 18 A V E 3 S+ab 36 78A 1 66,-2.6 68,-2.5 -2,-0.5 26,-0.2 -0.694 89.0 18.5 -73.1 128.2 26.4 10.0 11.4 12 19 A G T > S+ 0 0 10 24,-3.2 3,-1.8 -2,-0.4 6,-0.4 0.647 85.9 148.1 75.9 17.6 22.8 10.1 12.6 13 20 A G T < + 0 0 1 -3,-1.5 9,-0.2 23,-0.5 24,-0.1 0.512 60.3 61.7 -63.8 -11.2 21.6 10.0 9.0 14 21 A A T 3 S+ 0 0 0 22,-0.2 29,-0.6 4,-0.1 -1,-0.3 0.494 92.6 91.3 -89.3 -4.4 18.4 8.0 9.7 15 22 A G S <> S- 0 0 14 -3,-1.8 4,-2.4 27,-0.2 5,-0.2 0.070 95.8 -84.0 -79.1-167.8 17.1 10.9 11.9 16 23 A F H > S+ 0 0 20 2,-0.2 4,-1.3 3,-0.1 5,-0.1 0.983 126.9 26.3 -62.9 -63.9 15.0 13.9 11.1 17 24 A V H > S+ 0 0 23 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.931 123.0 56.2 -69.0 -40.3 17.6 16.3 9.9 18 25 A G H > S+ 0 0 1 -6,-0.4 4,-3.0 1,-0.2 -5,-0.2 0.896 104.4 49.6 -57.3 -51.1 19.9 13.5 8.7 19 26 A S H X S+ 0 0 13 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.883 112.2 48.6 -60.4 -40.7 17.3 11.8 6.4 20 27 A N H X S+ 0 0 23 -4,-1.3 4,-1.9 -5,-0.2 -1,-0.2 0.856 111.2 50.4 -66.0 -38.0 16.6 15.1 4.8 21 28 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.918 109.6 51.1 -63.2 -45.0 20.4 15.8 4.3 22 29 A V H X S+ 0 0 2 -4,-3.0 4,-2.6 -9,-0.2 -2,-0.2 0.933 108.7 51.4 -57.7 -47.5 20.8 12.4 2.8 23 30 A K H X S+ 0 0 65 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.935 113.2 45.5 -53.1 -46.7 17.9 13.1 0.3 24 31 A R H X S+ 0 0 76 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.883 109.3 54.0 -69.7 -40.7 19.5 16.3 -0.7 25 32 A L H <>S+ 0 0 0 -4,-2.7 5,-1.7 2,-0.2 4,-0.5 0.933 109.3 49.0 -58.1 -46.7 23.0 14.8 -1.0 26 33 A L H ><5S+ 0 0 36 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.927 108.7 53.6 -58.8 -45.4 21.6 12.2 -3.4 27 34 A E H 3<5S+ 0 0 125 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.803 105.8 54.9 -54.4 -33.6 19.9 15.1 -5.4 28 35 A L T 3<5S- 0 0 39 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.503 120.4-110.2 -84.6 -4.2 23.3 16.7 -5.6 29 36 A G T < 5 + 0 0 34 -3,-1.5 -24,-2.8 -4,-0.5 -3,-0.2 0.809 49.0 176.3 85.1 31.5 24.8 13.6 -7.2 30 37 A V < - 0 0 12 -5,-1.7 -23,-0.2 -26,-0.3 3,-0.1 -0.262 31.9-132.5 -59.9 155.8 27.1 12.4 -4.4 31 38 A N S S- 0 0 95 -25,-2.1 2,-0.3 1,-0.3 -24,-0.2 0.904 80.5 -1.6 -78.2 -46.4 28.9 9.1 -5.2 32 39 A Q E -a 7 0A 31 -26,-1.8 -24,-2.8 2,-0.0 2,-0.5 -0.994 53.0-157.5-146.7 143.9 28.2 7.4 -1.9 33 40 A V E -ac 8 53A 1 19,-2.9 21,-3.0 -2,-0.3 2,-0.8 -0.990 9.4-161.1-118.0 119.3 26.4 8.1 1.4 34 41 A H E -ac 9 54A 6 -26,-3.1 -24,-2.4 -2,-0.5 2,-0.5 -0.874 11.2-161.9 -96.5 103.4 27.5 6.0 4.5 35 42 A V E -ac 10 55A 0 19,-2.8 21,-3.3 -2,-0.8 2,-0.6 -0.762 5.9-170.8 -83.2 122.6 24.7 6.4 7.0 36 43 A V E +ac 11 56A 2 -26,-2.1 -24,-3.2 -2,-0.5 -23,-0.5 -0.974 25.3 143.8-114.1 116.3 25.8 5.4 10.6 37 44 A D - 0 0 12 19,-2.1 22,-0.2 -2,-0.6 21,-0.1 -0.935 43.8-158.5-158.9 126.9 22.8 5.2 12.9 38 45 A N - 0 0 51 -2,-0.3 21,-0.2 19,-0.2 19,-0.1 0.409 44.5-125.1 -84.8 -0.2 21.8 3.0 15.8 39 46 A L + 0 0 21 19,-0.2 3,-0.5 4,-0.1 143,-0.3 0.719 63.3 143.1 60.3 27.1 18.1 4.0 15.3 40 47 A L S S+ 0 0 22 1,-0.2 142,-2.1 141,-0.2 -1,-0.1 0.878 88.2 8.4 -63.8 -37.1 17.8 5.1 18.9 41 48 A S S S+ 0 0 21 140,-0.3 2,-0.3 40,-0.1 -1,-0.2 -0.085 124.3 74.6-132.2 34.6 15.5 8.0 17.9 42 49 A A - 0 0 4 -3,-0.5 2,-0.4 -27,-0.1 139,-0.2 -0.909 68.1-125.3-145.8 161.0 14.9 7.1 14.2 43 50 A E > - 0 0 33 -29,-0.6 3,-1.8 -2,-0.3 4,-0.1 -0.914 21.5-128.9-112.8 142.4 13.0 4.7 12.0 44 51 A K G > S+ 0 0 104 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.794 105.6 70.0 -58.5 -32.7 14.6 2.5 9.3 45 52 A I G 3 S+ 0 0 111 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.691 88.0 66.0 -62.7 -18.3 12.0 3.8 6.8 46 53 A N G < S+ 0 0 34 -3,-1.8 -1,-0.3 -32,-0.2 -2,-0.2 0.467 88.6 77.4 -80.4 -4.2 13.8 7.2 6.9 47 54 A V S < S- 0 0 9 -3,-2.1 2,-0.4 -4,-0.1 -33,-0.1 -0.649 89.8-114.7 -89.7 157.4 16.9 5.7 5.4 48 55 A P - 0 0 34 0, 0.0 2,-0.7 0, 0.0 -2,-0.1 -0.811 4.4-133.1 -94.5 150.2 16.7 5.1 1.6 49 56 A D + 0 0 166 -2,-0.4 -4,-0.0 -4,-0.1 -2,-0.0 -0.136 61.8 148.1 -78.0 38.2 16.8 1.8 -0.2 50 57 A H > - 0 0 78 -2,-0.7 3,-0.6 1,-0.1 -3,-0.0 -0.447 60.8-136.2 -94.3 144.7 19.4 3.4 -2.6 51 58 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.790 110.6 50.2 -64.1 -23.8 22.3 1.9 -4.4 52 59 A A T 3 S+ 0 0 21 -20,-0.1 -19,-2.9 2,-0.0 2,-0.6 0.645 96.1 83.9 -86.1 -18.0 24.4 4.9 -3.3 53 60 A V E < -c 33 0A 18 -3,-0.6 2,-0.5 -21,-0.2 -19,-0.2 -0.798 56.7-170.7 -93.1 118.1 23.4 4.6 0.4 54 61 A R E -c 34 0A 123 -21,-3.0 -19,-2.8 -2,-0.6 2,-0.5 -0.955 13.1-156.6-101.3 126.1 25.4 2.2 2.7 55 62 A F E -c 35 0A 51 -2,-0.5 2,-0.7 -21,-0.2 -19,-0.2 -0.930 12.8-170.5-113.4 116.7 23.7 1.8 6.1 56 63 A S E -c 36 0A 16 -21,-3.3 -19,-2.1 -2,-0.5 2,-1.9 -0.920 12.2-156.0 -98.3 104.1 25.6 0.7 9.2 57 64 A E + 0 0 119 -2,-0.7 2,-0.3 -21,-0.2 -19,-0.2 -0.536 59.2 101.8 -80.6 76.4 22.9 0.0 12.0 58 65 A T S S- 0 0 46 -2,-1.9 2,-0.2 -21,-0.1 -19,-0.2 -0.985 79.2 -94.1-156.8 147.8 25.5 0.6 14.7 59 66 A S > - 0 0 24 -2,-0.3 3,-1.6 -22,-0.2 6,-0.2 -0.477 28.4-131.0 -64.6 140.5 26.5 3.3 17.2 60 67 A I T 3 S+ 0 0 6 1,-0.3 -1,-0.1 -2,-0.2 6,-0.1 0.657 108.4 65.8 -64.3 -16.2 29.3 5.6 16.1 61 68 A T T 3 S+ 0 0 11 36,-0.1 2,-0.4 4,-0.1 -1,-0.3 0.476 72.5 118.3 -80.4 -3.4 30.9 4.8 19.5 62 69 A D <> - 0 0 68 -3,-1.6 4,-2.4 1,-0.2 5,-0.2 -0.512 59.1-149.0 -69.6 120.4 31.4 1.1 18.5 63 70 A D H > S+ 0 0 110 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.885 94.3 50.5 -57.4 -43.0 35.1 0.3 18.6 64 71 A A H > S+ 0 0 70 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.944 111.8 47.9 -62.2 -46.1 35.0 -2.3 15.8 65 72 A L H > S+ 0 0 13 1,-0.2 4,-0.7 2,-0.2 3,-0.3 0.936 112.7 48.9 -59.4 -49.8 33.1 0.1 13.4 66 73 A L H >< S+ 0 0 13 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.906 111.6 48.2 -54.9 -46.3 35.5 2.9 14.2 67 74 A A H 3< S+ 0 0 73 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.755 108.0 57.3 -70.7 -24.9 38.5 0.7 13.5 68 75 A S H 3< S+ 0 0 62 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.611 82.2 112.2 -75.3 -19.1 36.9 -0.5 10.3 69 76 A L << - 0 0 4 -3,-1.2 2,-0.3 -4,-0.7 -3,-0.0 -0.355 54.4-153.6 -66.0 138.4 36.6 3.0 8.9 70 77 A Q - 0 0 124 -2,-0.1 2,-2.4 43,-0.0 3,-0.2 -0.762 29.1-106.7-111.7 156.5 38.7 3.9 5.9 71 78 A D S S+ 0 0 65 -2,-0.3 43,-0.1 1,-0.2 -2,-0.0 -0.451 85.0 112.9 -79.4 67.0 40.1 7.2 4.7 72 79 A E + 0 0 64 -2,-2.4 2,-0.4 42,-0.0 -1,-0.2 0.143 45.9 99.8-127.6 17.7 37.6 7.2 1.8 73 80 A Y - 0 0 7 -3,-0.2 -65,-0.2 1,-0.1 3,-0.1 -0.918 42.8-174.1-114.5 133.2 35.4 10.2 2.8 74 81 A D S S+ 0 0 10 -67,-2.4 43,-3.5 -2,-0.4 44,-1.2 0.790 81.2 22.2 -82.0 -37.5 35.4 13.7 1.4 75 82 A Y E -bd 8 118A 11 -68,-1.5 -66,-2.1 41,-0.2 2,-0.4 -0.989 60.1-164.9-137.3 144.0 32.8 15.0 3.9 76 83 A V E -bd 9 119A 0 42,-1.8 44,-3.0 -2,-0.3 2,-0.5 -0.999 3.9-165.0-129.6 126.8 31.5 13.9 7.3 77 84 A F E -bd 10 120A 0 -68,-2.7 -66,-2.6 -2,-0.4 2,-0.9 -0.982 7.0-160.8-107.5 115.9 28.2 15.2 8.8 78 85 A H E +bd 11 121A 0 42,-3.0 44,-1.9 -2,-0.5 -66,-0.1 -0.832 32.2 146.0-103.7 98.1 28.0 14.5 12.5 79 86 A L + 0 0 17 -68,-2.5 -67,-0.2 -2,-0.9 -61,-0.1 0.314 25.6 126.4-113.8 4.3 24.3 14.8 13.3 80 87 A A + 0 0 20 -69,-0.1 2,-0.3 -44,-0.0 42,-0.1 -0.301 28.0 150.2 -71.5 149.4 23.9 12.1 16.0 81 88 A T - 0 0 32 21,-0.0 2,-0.7 2,-0.0 18,-0.2 -0.959 53.1-100.4-162.0 171.9 22.4 13.1 19.4 82 89 A Y - 0 0 12 -2,-0.3 2,-0.6 13,-0.1 6,-0.2 -0.924 60.2-104.1-103.7 106.1 20.4 11.8 22.3 83 90 A H S S- 0 0 32 -2,-0.7 101,-0.1 4,-0.1 -2,-0.0 -0.621 70.3 -34.7 -83.3 117.5 16.9 13.1 21.6 84 91 A G > - 0 0 9 -2,-0.6 4,-2.4 3,-0.1 5,-0.2 0.522 55.8 -76.8-140.7-129.1 16.4 15.4 23.4 85 92 A N H > S+ 0 0 68 1,-0.2 4,-1.8 2,-0.2 56,-0.3 0.922 118.2 43.7 -53.3 -55.2 16.4 17.7 26.5 86 93 A Q H > S+ 0 0 43 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.912 114.6 49.6 -62.5 -43.1 13.8 15.8 28.5 87 94 A S H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.881 109.0 53.0 -61.8 -41.4 15.3 12.4 27.7 88 95 A S H < S+ 0 0 0 -4,-2.4 7,-0.2 -6,-0.2 -1,-0.2 0.843 107.8 50.3 -64.4 -40.7 18.8 13.6 28.7 89 96 A I H < S+ 0 0 99 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.896 109.0 52.8 -62.1 -43.6 17.5 14.9 32.1 90 97 A H H < S+ 0 0 105 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.871 131.4 10.3 -57.8 -43.3 15.9 11.5 32.7 91 98 A D X + 0 0 64 -4,-1.8 4,-2.1 93,-0.1 3,-0.4 -0.701 61.4 178.8-145.2 87.4 19.1 9.6 32.0 92 99 A P H > S+ 0 0 63 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.740 85.6 56.8 -60.2 -25.0 22.3 11.7 31.7 93 100 A L H > S+ 0 0 139 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.864 105.4 48.9 -76.0 -37.9 24.4 8.5 31.1 94 101 A A H > S+ 0 0 21 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.894 113.9 49.3 -63.3 -39.2 22.3 7.5 28.1 95 102 A D H X>S+ 0 0 2 -4,-2.1 4,-1.1 -7,-0.2 5,-0.5 0.930 108.1 52.4 -64.4 -44.6 22.8 11.0 26.9 96 103 A H H >X>S+ 0 0 84 -4,-2.1 5,-2.5 1,-0.2 4,-2.1 0.937 110.1 47.4 -59.5 -51.3 26.5 11.0 27.5 97 104 A E H 3<5S+ 0 0 74 -4,-2.1 5,-0.2 1,-0.2 -1,-0.2 0.891 123.3 33.7 -53.3 -41.4 27.0 7.8 25.5 98 105 A N H 3<5S+ 0 0 23 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.329 131.8 27.1-104.6 7.8 24.9 9.0 22.6 99 106 A N H <<5S+ 0 0 0 -4,-1.1 -3,-0.2 -3,-0.7 4,-0.2 0.568 128.0 25.2-140.8 -34.0 25.7 12.7 22.7 100 107 A T T X S+ 0 0 3 -6,-0.5 4,-2.2 -5,-0.2 -1,-0.2 0.954 105.0 42.4 -50.1 -54.3 29.9 10.0 20.0 103 110 A T H > S+ 0 0 1 -3,-0.4 4,-2.5 2,-0.2 5,-0.2 0.914 115.0 49.7 -63.1 -47.0 31.7 13.2 19.0 104 111 A L H X S+ 0 0 56 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.947 113.8 43.6 -59.8 -50.2 34.9 12.4 20.8 105 112 A K H X S+ 0 0 50 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.874 114.0 51.5 -67.4 -37.9 35.3 8.9 19.4 106 113 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.954 113.5 43.3 -58.7 -51.2 34.4 10.0 15.9 107 114 A Y H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.888 109.7 56.9 -66.0 -39.1 37.0 12.8 15.9 108 115 A E H < S+ 0 0 89 -4,-2.4 4,-0.2 -5,-0.2 -1,-0.2 0.901 113.1 41.5 -59.5 -40.4 39.6 10.7 17.5 109 116 A R H >< S+ 0 0 90 -4,-1.8 3,-0.6 1,-0.2 -2,-0.2 0.893 116.8 47.2 -71.2 -43.2 39.2 8.2 14.6 110 117 A L H >< S+ 0 0 0 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.675 85.7 94.5 -74.1 -14.7 38.9 10.9 11.9 111 118 A K T 3< S+ 0 0 37 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.684 89.9 38.1 -59.2 -27.1 42.0 12.9 13.1 112 119 A H T < S+ 0 0 130 -3,-0.6 2,-0.3 -4,-0.2 -1,-0.3 0.384 86.6 117.8-105.8 8.1 44.6 11.3 10.8 113 120 A F < - 0 0 24 -3,-2.0 -41,-0.0 1,-0.1 -3,-0.0 -0.562 41.5-172.1 -74.3 135.5 42.3 11.0 7.7 114 121 A K S S+ 0 0 181 -2,-0.3 -1,-0.1 1,-0.1 -42,-0.0 0.599 74.1 66.2-106.7 -19.3 43.6 13.0 4.8 115 122 A R S S+ 0 0 93 -42,-0.0 -1,-0.1 -40,-0.0 2,-0.1 0.723 76.6 110.0 -76.0 -20.0 40.8 12.8 2.2 116 123 A L + 0 0 16 1,-0.2 -41,-0.2 -6,-0.2 -42,-0.2 -0.357 37.5 174.4 -62.5 123.0 38.5 14.8 4.5 117 124 A K + 0 0 94 -43,-3.5 2,-0.3 1,-0.4 -42,-0.2 0.748 69.9 2.1 -94.0 -36.1 37.7 18.3 3.2 118 125 A K E -d 75 0A 19 -44,-1.2 -42,-1.8 2,-0.0 2,-0.4 -0.995 49.1-159.8-156.7 142.6 35.2 19.1 6.0 119 126 A V E -de 76 163A 0 43,-2.4 45,-2.4 -2,-0.3 2,-0.5 -0.980 21.2-159.6-122.4 114.0 33.6 17.7 9.0 120 127 A V E -de 77 164A 0 -44,-3.0 -42,-3.0 -2,-0.4 2,-0.5 -0.860 3.4-163.8-107.2 121.9 30.3 19.4 9.9 121 128 A Y E -de 78 165A 0 43,-2.7 45,-3.0 -2,-0.5 2,-0.8 -0.903 18.4-133.3-107.9 125.1 28.9 19.2 13.4 122 129 A S E - e 0 166A 11 -44,-1.9 2,-0.2 -2,-0.5 45,-0.2 -0.695 35.2-177.6 -79.1 110.1 25.3 20.1 14.2 123 130 A A E - 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0 0 48 1,-0.1 3,-0.4 -37,-0.1 -40,-0.4 -0.602 360.0-157.5 -77.0 131.5 21.9 36.1 13.3 285 308 A P > + 0 0 20 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.294 67.6 100.7 -84.4 6.3 22.1 34.5 9.8 286 309 A E H > S+ 0 0 75 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.858 74.9 52.7 -66.6 -38.4 24.4 37.2 8.5 287 310 A K H > S+ 0 0 33 -3,-0.4 4,-3.1 1,-0.2 5,-0.4 0.952 112.0 45.7 -63.9 -47.1 27.8 35.3 8.6 288 311 A A H > S+ 0 0 1 -44,-0.4 6,-2.0 -4,-0.2 4,-1.8 0.852 114.9 49.1 -62.0 -38.5 26.4 32.3 6.7 289 312 A R H X S+ 0 0 98 -4,-1.8 4,-1.0 4,-0.2 -2,-0.2 0.961 116.8 40.1 -65.2 -51.8 24.8 34.7 4.1 290 313 A R H < S+ 0 0 144 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.894 128.2 29.0 -64.2 -46.7 27.9 36.8 3.6 291 314 A E H < S+ 0 0 85 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.792 133.5 26.5 -91.2 -31.4 30.5 33.9 3.6 292 315 A L H < S- 0 0 19 -4,-1.8 -3,-0.2 -5,-0.4 -2,-0.2 0.435 95.0-122.9-111.1 -4.7 28.6 30.9 2.3 293 316 A G < + 0 0 66 -4,-1.0 2,-0.4 -5,-0.3 -4,-0.2 0.744 62.9 149.8 61.5 24.7 26.0 32.6 0.2 294 317 A F + 0 0 19 -6,-2.0 2,-0.4 -7,-0.1 -1,-0.2 -0.778 21.7 169.8 -98.5 135.7 23.4 30.8 2.3 295 318 A S - 0 0 36 -2,-0.4 2,-1.2 -3,-0.1 -48,-0.1 -0.996 29.5-142.0-141.2 125.0 19.9 32.1 3.1 296 319 A A + 0 0 10 -50,-0.6 -71,-0.1 -2,-0.4 -2,-0.0 -0.745 36.5 161.4 -88.8 91.3 17.1 30.1 4.8 297 320 A D + 0 0 126 -2,-1.2 2,-0.6 2,-0.1 -1,-0.1 0.334 25.0 117.1-101.4 4.7 14.2 31.6 2.8 298 321 A V - 0 0 42 -76,-0.1 -76,-0.3 4,-0.1 -73,-0.1 -0.655 62.7-131.4 -78.4 120.0 11.3 29.1 3.2 299 322 A S > - 0 0 44 -2,-0.6 4,-3.0 1,-0.1 5,-0.3 -0.252 15.5-116.1 -69.0 155.6 8.5 30.9 5.0 300 323 A I H > S+ 0 0 25 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.876 118.2 52.7 -57.1 -36.0 6.7 29.5 8.1 301 324 A D H > S+ 0 0 74 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.935 113.2 40.6 -68.7 -47.3 3.6 29.4 5.9 302 325 A D H > S+ 0 0 99 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.906 116.4 49.5 -68.4 -40.5 5.2 27.5 3.0 303 326 A G H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.906 109.6 51.7 -65.9 -40.2 7.1 25.1 5.3 304 327 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 -5,-0.3 5,-0.3 0.919 107.9 52.2 -61.9 -45.4 4.1 24.3 7.4 305 328 A R H X S+ 0 0 60 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.921 112.1 45.9 -54.5 -46.2 2.1 23.4 4.2 306 329 A K H X S+ 0 0 108 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.907 114.1 48.2 -66.4 -42.5 4.8 21.0 3.1 307 330 A T H X S+ 0 0 5 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.922 113.0 47.6 -64.1 -44.2 5.1 19.5 6.6 308 331 A I H X S+ 0 0 9 -4,-3.0 4,-2.9 2,-0.2 5,-0.2 0.894 109.2 54.1 -64.3 -40.2 1.4 19.0 6.9 309 332 A E H X S+ 0 0 83 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.938 111.8 44.4 -59.9 -48.8 1.1 17.5 3.4 310 333 A W H X S+ 0 0 53 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.873 113.4 50.6 -60.7 -42.1 3.8 14.9 4.3 311 334 A T H < S+ 0 0 11 -4,-2.3 4,-0.4 2,-0.2 -2,-0.2 0.914 110.4 49.9 -63.5 -46.9 2.2 14.2 7.7 312 335 A K H >< S+ 0 0 97 -4,-2.9 3,-1.1 1,-0.2 4,-0.3 0.945 111.8 48.0 -52.9 -52.6 -1.2 13.7 6.0 313 336 A A H 3< S+ 0 0 84 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.795 122.6 33.8 -63.8 -29.4 0.2 11.3 3.5 314 337 A N T 3X S+ 0 0 57 -4,-1.6 4,-2.4 -5,-0.1 3,-0.3 0.209 81.5 117.7-110.1 15.2 2.1 9.2 6.1 315 338 A L H <> S+ 0 0 34 -3,-1.1 4,-2.6 -4,-0.4 5,-0.1 0.843 74.5 50.2 -57.6 -42.7 -0.4 9.5 9.0 316 339 A A H > S+ 0 0 81 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.905 112.7 47.7 -60.3 -43.3 -1.2 5.8 9.4 317 340 A V H > S+ 0 0 65 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.934 111.8 49.7 -65.1 -45.7 2.5 4.9 9.4 318 341 A I H X S+ 0 0 5 -4,-2.4 4,-3.2 1,-0.2 -2,-0.2 0.918 109.7 52.1 -62.2 -43.0 3.3 7.6 12.0 319 342 A E H X S+ 0 0 60 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.900 107.8 50.8 -60.8 -39.2 0.4 6.3 14.2 320 343 A Q H X S+ 0 0 94 -4,-2.1 4,-0.7 2,-0.2 -1,-0.2 0.919 112.9 47.3 -65.3 -41.6 1.7 2.8 14.1 321 344 A I H >< S+ 0 0 15 -4,-2.3 3,-1.0 1,-0.2 4,-0.4 0.940 111.9 49.1 -63.7 -48.4 5.1 4.1 15.2 322 345 A M H >< S+ 0 0 16 -4,-3.2 3,-1.9 1,-0.2 -2,-0.2 0.922 103.2 63.4 -54.7 -43.1 3.5 6.3 18.0 323 346 A R H >< S+ 0 0 48 -4,-2.6 3,-1.7 1,-0.3 4,-0.3 0.722 83.9 74.0 -61.9 -21.3 1.5 3.3 19.2 324 347 A K T << S+ 0 0 107 -3,-1.0 3,-0.3 -4,-0.7 -1,-0.3 0.790 97.5 50.1 -65.2 -20.6 4.6 1.2 20.2 325 348 A H T <> S+ 0 0 7 -3,-1.9 4,-3.4 -4,-0.4 3,-0.4 0.380 77.2 106.2 -95.2 3.6 5.1 3.6 23.2 326 349 A D H <> S+ 0 0 101 -3,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.870 81.7 46.9 -46.8 -48.4 1.5 3.3 24.4 327 350 A S H > S+ 0 0 93 -3,-0.3 4,-1.1 -4,-0.3 -1,-0.2 0.823 114.4 45.6 -67.3 -38.1 2.5 1.0 27.4 328 351 A A H 4 S+ 0 0 23 -3,-0.4 4,-0.5 -4,-0.2 -2,-0.2 0.865 113.5 51.3 -73.3 -39.4 5.4 3.3 28.4 329 352 A L H >< S+ 0 0 50 -4,-3.4 3,-1.1 1,-0.2 -2,-0.2 0.933 109.0 50.5 -57.4 -49.5 3.2 6.4 28.0 330 353 A A H 3< S+ 0 0 87 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.783 114.5 43.1 -64.5 -29.2 0.5 4.8 30.2 331 354 A T T 3< 0 0 115 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.408 360.0 360.0 -99.2 3.8 2.9 3.9 33.0 332 355 A Y < 0 0 157 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.1 0.967 360.0 360.0 -76.5 360.0 4.9 7.2 33.0