==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 30-JAN-10 2X4G . COMPND 2 MOLECULE: NUCLEOSIDE-DIPHOSPHATE-SUGAR EPIMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR M.OKE,L.G.CARTER,K.A.JOHNSON,H.LIU,S.A.MCMAHON,M.F.WHITE, . 302 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14634.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 204 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.7 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 . 17 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 0 0 3 0 0 0 0 3 0 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 4 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 11 A A 0 0 74 0, 0.0 27,-0.3 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 80.2 17.1 -1.5 149.5 2 12 A H + 0 0 177 25,-0.1 2,-0.4 24,-0.0 25,-0.1 0.560 360.0 63.4 -58.1 -16.8 14.0 -3.2 147.8 3 13 A V - 0 0 21 23,-0.2 25,-3.2 2,-0.0 2,-0.5 -0.908 63.0-157.8-119.1 141.7 14.8 -2.5 144.1 4 14 A K E +a 28 0A 53 -2,-0.4 64,-3.1 23,-0.2 65,-0.9 -0.962 12.5 179.1-119.9 118.4 17.8 -3.8 142.1 5 15 A Y E -ab 29 69A 17 23,-2.4 25,-2.6 -2,-0.5 2,-0.3 -0.965 11.4-152.7-120.9 141.6 19.1 -2.0 139.0 6 16 A A E -ab 30 70A 0 63,-2.4 65,-2.7 -2,-0.4 2,-0.4 -0.755 2.7-158.4-110.8 155.9 22.1 -3.1 136.8 7 17 A V E -ab 31 71A 0 23,-1.5 25,-1.8 -2,-0.3 3,-0.4 -0.995 2.7-159.6-134.0 125.3 24.4 -1.1 134.5 8 18 A L E S+ab 32 72A 4 63,-2.6 65,-2.0 -2,-0.4 25,-0.2 -0.897 85.0 27.3 -96.6 138.9 26.5 -2.4 131.7 9 19 A G S > S+ 0 0 30 23,-0.8 3,-1.3 -2,-0.4 6,-0.5 0.773 73.3 155.7 81.0 32.3 29.4 -0.1 130.7 10 20 A A T 3 + 0 0 2 -3,-0.4 9,-0.1 22,-0.4 -2,-0.1 0.620 63.9 62.9 -65.6 -18.1 29.7 1.3 134.3 11 21 A T T 3 S+ 0 0 39 4,-0.1 157,-0.3 5,-0.1 -1,-0.3 0.639 87.2 88.8 -86.2 -15.0 33.4 2.2 133.9 12 22 A G S <> S- 0 0 36 -3,-1.3 4,-2.3 61,-0.1 5,-0.2 -0.342 95.4-102.0 -72.6 167.2 32.6 4.7 131.1 13 23 A L H > S+ 0 0 12 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.925 119.1 38.4 -58.4 -51.9 31.7 8.3 131.9 14 24 A L H > S+ 0 0 26 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.904 116.9 50.3 -74.9 -38.1 28.0 8.1 131.5 15 25 A G H > S+ 0 0 1 -6,-0.5 4,-2.9 2,-0.2 -5,-0.2 0.873 106.0 56.1 -62.4 -36.8 27.6 4.6 133.0 16 26 A H H X S+ 0 0 6 -4,-2.3 4,-2.4 -7,-0.3 -1,-0.2 0.915 110.2 46.0 -65.2 -40.2 29.7 5.5 136.1 17 27 A H H X S+ 0 0 6 -4,-1.4 4,-1.7 -5,-0.2 -1,-0.2 0.797 109.9 53.1 -75.8 -29.5 27.2 8.4 136.8 18 28 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 3,-0.3 0.971 109.6 50.6 -62.9 -48.4 24.2 6.1 136.2 19 29 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.3 3,-0.3 0.935 110.7 48.3 -53.2 -52.5 25.7 3.7 138.8 20 30 A R H X S+ 0 0 92 -4,-2.4 4,-3.1 1,-0.2 -1,-0.3 0.827 108.4 53.9 -53.4 -40.9 26.1 6.6 141.2 21 31 A A H X S+ 0 0 7 -4,-1.7 4,-1.8 -3,-0.3 -1,-0.2 0.865 107.6 50.9 -66.2 -36.6 22.6 7.8 140.7 22 32 A I H <>S+ 0 0 0 -4,-2.1 5,-2.0 -3,-0.3 -2,-0.2 0.876 112.8 46.2 -66.9 -41.0 21.3 4.3 141.5 23 33 A R H ><5S+ 0 0 79 -4,-2.2 3,-1.8 -5,-0.2 -2,-0.2 0.934 110.5 53.2 -65.7 -44.7 23.3 4.3 144.6 24 34 A A H 3<5S+ 0 0 85 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.829 104.9 55.1 -60.8 -33.0 22.1 7.9 145.5 25 35 A A T 3<5S- 0 0 50 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.498 117.6-114.7 -75.9 -3.2 18.5 6.7 145.1 26 36 A G T < 5 + 0 0 38 -3,-1.8 -23,-0.2 1,-0.2 -3,-0.2 0.775 68.8 139.1 71.3 27.6 19.1 4.0 147.7 27 37 A H < - 0 0 19 -5,-2.0 2,-0.5 -25,-0.1 -1,-0.2 -0.545 63.3 -97.6 -90.9 164.8 18.6 1.1 145.3 28 38 A D E -a 4 0A 63 -25,-3.2 -23,-2.4 -27,-0.3 2,-0.5 -0.751 43.3-142.8 -81.0 129.8 20.7 -2.1 145.1 29 39 A L E -a 5 0A 4 -2,-0.5 19,-2.3 17,-0.2 2,-0.4 -0.839 17.5-172.3-104.3 127.8 23.3 -1.6 142.4 30 40 A V E -ac 6 48A 0 -25,-2.6 -23,-1.5 -2,-0.5 2,-0.5 -0.962 7.1-159.7-113.0 136.9 24.4 -4.4 140.1 31 41 A L E -ac 7 49A 0 17,-2.6 19,-2.5 -2,-0.4 2,-0.7 -0.968 1.5-160.8-116.7 114.5 27.3 -3.8 137.7 32 42 A I E +ac 8 50A 4 -25,-1.8 -23,-0.8 -2,-0.5 -22,-0.4 -0.871 27.7 166.4 -93.8 116.0 27.6 -6.2 134.7 33 43 A H E - c 0 51A 27 17,-1.9 19,-2.5 -2,-0.7 -25,-0.0 -0.914 39.5-108.2-132.2 157.1 31.2 -6.0 133.4 34 44 A R > - 0 0 116 -2,-0.3 3,-1.6 17,-0.2 5,-0.2 -0.486 38.5-113.6 -80.4 154.2 33.5 -7.8 131.1 35 45 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.846 114.7 53.6 -63.2 -30.9 36.3 -9.7 132.8 36 46 A S T 3 S+ 0 0 106 2,-0.1 2,-0.1 3,-0.0 17,-0.0 0.643 89.2 102.1 -70.0 -18.1 39.0 -7.4 131.4 37 47 A S S < S- 0 0 24 -3,-1.6 2,-1.3 1,-0.1 3,-0.2 -0.389 75.7-125.5 -80.5 153.4 37.3 -4.2 132.7 38 48 A Q > + 0 0 120 1,-0.2 3,-1.3 -2,-0.1 -1,-0.1 -0.528 45.6 154.1-100.7 73.3 38.5 -2.4 135.8 39 49 A I G > + 0 0 15 -2,-1.3 3,-2.8 1,-0.3 -1,-0.2 0.657 53.4 87.4 -77.7 -17.9 35.3 -2.3 137.7 40 50 A Q G > S+ 0 0 124 1,-0.3 3,-1.0 -3,-0.2 -1,-0.3 0.637 72.2 77.1 -59.1 -12.6 37.1 -2.0 141.1 41 51 A R G < S+ 0 0 81 -3,-1.3 -1,-0.3 1,-0.2 3,-0.2 0.621 97.0 47.2 -64.9 -14.8 37.1 1.8 140.4 42 52 A L G X S+ 0 0 0 -3,-2.8 3,-2.0 1,-0.1 -1,-0.2 0.287 75.9 107.7-109.8 7.4 33.4 1.5 141.5 43 53 A A G X + 0 0 57 -3,-1.0 3,-2.8 1,-0.3 -1,-0.1 0.851 68.2 70.2 -54.5 -35.5 34.0 -0.6 144.7 44 54 A Y G 3 S+ 0 0 118 1,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.774 90.0 61.6 -54.2 -27.3 33.2 2.5 146.8 45 55 A L G < S- 0 0 11 -3,-2.0 -1,-0.3 1,-0.0 -16,-0.2 0.537 108.5-128.8 -74.5 -4.5 29.6 2.1 145.7 46 56 A E < - 0 0 168 -3,-2.8 -17,-0.2 -4,-0.2 -3,-0.1 0.948 45.7-179.8 51.1 55.2 29.5 -1.3 147.3 47 57 A P - 0 0 29 0, 0.0 2,-0.5 0, 0.0 -17,-0.2 -0.329 34.9-122.5 -81.1 161.9 28.2 -2.8 144.1 48 58 A E E -c 30 0A 70 -19,-2.3 -17,-2.6 -2,-0.1 2,-0.4 -0.936 35.5-151.6 -98.6 127.9 27.3 -6.4 143.4 49 59 A C E -c 31 0A 61 -2,-0.5 2,-0.4 -19,-0.2 -17,-0.2 -0.895 15.5-172.7-111.2 134.4 29.4 -7.4 140.4 50 60 A R E -c 32 0A 17 -19,-2.5 -17,-1.9 -2,-0.4 2,-0.3 -0.992 19.3-136.2-126.1 126.0 28.5 -9.9 137.8 51 61 A V E +c 33 0A 81 -2,-0.4 2,-0.3 -19,-0.2 -17,-0.2 -0.632 35.1 152.7 -85.8 136.8 31.0 -11.0 135.1 52 62 A A - 0 0 3 -19,-2.5 2,-0.3 -2,-0.3 -2,-0.1 -0.810 37.7-140.6-163.8 121.5 29.9 -11.3 131.5 53 63 A E > - 0 0 119 -2,-0.3 3,-1.4 -19,-0.2 7,-0.2 -0.647 33.1-122.8 -74.7 142.9 31.5 -11.0 128.1 54 64 A M T 3 S+ 0 0 30 -2,-0.3 33,-0.2 1,-0.3 -1,-0.1 0.365 108.3 51.3 -79.3 7.2 29.1 -9.3 125.8 55 65 A L T 3 S+ 0 0 121 31,-0.1 2,-0.4 1,-0.1 -1,-0.3 -0.051 87.4 95.0-124.8 30.0 29.0 -12.1 123.3 56 66 A D X> - 0 0 64 -3,-1.4 4,-2.0 1,-0.1 3,-1.0 -0.810 51.1-173.9-129.7 83.4 28.3 -14.9 125.8 57 67 A H H 3> S+ 0 0 99 -2,-0.4 4,-1.4 1,-0.3 5,-0.1 0.707 83.6 56.2 -58.4 -28.8 24.5 -15.5 126.0 58 68 A A H 3> S+ 0 0 66 2,-0.2 4,-1.3 1,-0.1 -1,-0.3 0.909 112.7 42.1 -65.0 -41.9 24.8 -17.9 129.0 59 69 A G H <> S+ 0 0 3 -3,-1.0 4,-2.7 2,-0.2 -2,-0.2 0.798 111.5 51.4 -82.1 -34.2 26.6 -15.3 131.1 60 70 A L H X S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.956 110.7 50.7 -64.1 -50.7 24.5 -12.3 130.2 61 71 A E H < S+ 0 0 74 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.863 113.7 45.2 -50.1 -45.1 21.3 -14.2 131.1 62 72 A R H >< S+ 0 0 164 -4,-1.3 3,-1.4 1,-0.2 -1,-0.2 0.926 113.2 48.8 -69.9 -44.6 22.9 -15.2 134.3 63 73 A A H 3< S+ 0 0 2 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.753 110.1 53.8 -66.3 -23.7 24.1 -11.6 135.0 64 74 A L T >< S+ 0 0 1 -4,-2.3 3,-0.7 -5,-0.1 -1,-0.3 0.321 82.7 123.6 -92.7 7.1 20.6 -10.3 134.2 65 75 A R T < S+ 0 0 117 -3,-1.4 30,-0.1 1,-0.2 29,-0.1 -0.412 74.8 4.0 -66.7 140.9 18.8 -12.6 136.7 66 76 A G T 3 S+ 0 0 64 28,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.781 89.6 142.5 62.1 37.8 16.6 -11.0 139.4 67 77 A L < - 0 0 14 -3,-0.7 -1,-0.2 27,-0.2 -62,-0.2 -0.809 49.4-152.8-105.9 149.4 16.8 -7.4 138.3 68 78 A D S S- 0 0 72 -64,-3.1 2,-0.3 -2,-0.3 -63,-0.2 0.511 81.7 -17.4 -90.6 -9.3 14.1 -4.7 138.4 69 79 A G E -b 5 0A 0 -65,-0.9 -63,-2.4 28,-0.1 2,-0.3 -0.959 56.0-140.7-180.0 169.2 15.9 -2.9 135.5 70 80 A V E -bd 6 99A 0 28,-1.6 30,-2.6 -2,-0.3 2,-0.5 -0.982 5.2-151.5-148.4 131.7 19.1 -2.4 133.4 71 81 A I E -bd 7 100A 0 -65,-2.7 -63,-2.6 -2,-0.3 2,-0.6 -0.889 14.3-154.8 -99.4 131.5 20.9 0.5 131.8 72 82 A F E bd 8 101A 16 28,-2.5 30,-2.0 -2,-0.5 -63,-0.1 -0.919 360.0 360.0-109.4 110.0 23.0 -0.2 128.7 73 83 A S 0 0 59 -65,-2.0 -61,-0.1 -2,-0.6 30,-0.1 -0.818 360.0 360.0 -94.4 360.0 25.9 2.2 128.0 74 ! 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 75 96 A E > 0 0 181 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -0.8 32.4 -2.9 109.4 76 97 A E H > + 0 0 146 2,-0.2 4,-0.9 1,-0.1 5,-0.1 0.914 360.0 40.6 -73.4 -42.7 31.3 -0.2 112.0 77 98 A V H > S+ 0 0 42 2,-0.2 4,-2.2 1,-0.2 3,-0.5 0.944 114.0 52.1 -67.8 -50.6 27.5 -0.6 111.7 78 99 A A H > S+ 0 0 63 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.805 114.0 42.7 -54.2 -38.6 27.5 -4.4 111.5 79 100 A S H X S+ 0 0 44 -4,-1.2 4,-0.7 2,-0.2 -1,-0.2 0.596 107.6 59.0 -91.1 -17.7 29.6 -4.8 114.7 80 101 A A H >X S+ 0 0 19 -4,-0.9 4,-1.6 -3,-0.5 3,-0.8 0.929 112.0 42.0 -67.4 -50.3 27.7 -2.1 116.6 81 102 A L H 3X S+ 0 0 56 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.809 108.2 63.0 -62.7 -31.7 24.6 -4.2 116.0 82 103 A G H 3< S+ 0 0 34 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.751 104.4 45.8 -67.3 -27.4 26.6 -7.3 116.8 83 104 A Q H S+ 0 0 13 0, 0.0 4,-3.2 0, 0.0 -1,-0.3 0.862 108.4 58.5 -63.2 -33.6 22.9 -10.6 122.2 87 108 A F H X S+ 0 0 2 -4,-0.7 4,-2.0 -3,-0.4 -2,-0.2 0.935 108.2 44.4 -60.7 -48.0 22.1 -8.2 125.0 88 109 A Y H X S+ 0 0 1 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.920 111.5 54.8 -62.5 -44.7 18.5 -7.9 123.9 89 110 A A H >X S+ 0 0 47 -4,-2.3 4,-1.6 -5,-0.2 3,-0.6 0.959 110.3 45.6 -47.1 -55.6 18.5 -11.7 123.4 90 111 A A H 3X S+ 0 0 2 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.796 106.5 58.9 -65.8 -30.6 19.6 -12.1 127.0 91 112 A C H 3X>S+ 0 0 1 -4,-2.0 5,-1.6 2,-0.2 4,-0.8 0.847 104.9 51.1 -65.1 -37.9 17.1 -9.6 128.3 92 113 A L H <<5S+ 0 0 109 -4,-1.8 3,-0.3 -3,-0.6 -2,-0.2 0.933 114.3 42.5 -63.7 -47.9 14.2 -11.6 126.9 93 114 A Q H <5S+ 0 0 127 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.845 114.6 49.0 -67.7 -37.8 15.4 -14.9 128.5 94 115 A A H <5S- 0 0 24 -4,-2.5 -28,-0.4 -5,-0.2 -1,-0.2 0.645 105.4-132.5 -75.5 -14.8 16.3 -13.3 131.9 95 116 A R T <5 - 0 0 225 -4,-0.8 -3,-0.2 -3,-0.3 -4,-0.1 0.850 31.8-174.4 64.1 41.1 12.8 -11.6 131.8 96 117 A V < - 0 0 6 -5,-1.6 -1,-0.2 -6,-0.1 -28,-0.1 -0.494 14.6-153.5 -65.7 130.4 14.1 -8.2 132.7 97 118 A P S S+ 0 0 70 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.678 74.6 33.5 -80.9 -15.9 11.0 -5.9 133.2 98 119 A R + 0 0 50 -31,-0.1 -28,-1.6 2,-0.0 2,-0.4 -0.979 62.9 177.7-153.1 113.6 12.6 -2.6 132.4 99 120 A I E -de 70 154A 0 54,-2.6 56,-3.4 -2,-0.3 2,-0.5 -0.987 7.6-169.0-130.1 125.8 15.4 -1.8 129.9 100 121 A L E -de 71 155A 0 -30,-2.6 -28,-2.5 -2,-0.4 2,-0.4 -0.972 7.7-161.5-115.5 127.3 17.0 1.6 129.0 101 122 A Y E -de 72 156A 9 54,-2.7 56,-2.1 -2,-0.5 2,-0.9 -0.888 18.9-129.3-107.4 133.3 19.3 1.9 126.0 102 123 A V E + e 0 157A 21 -30,-2.0 56,-0.2 -2,-0.4 54,-0.1 -0.751 37.8 176.9 -90.2 109.5 21.5 4.9 125.8 103 124 A G - 0 0 9 54,-2.2 2,-0.3 -2,-0.9 34,-0.1 -0.154 22.2-113.5 -97.9-166.7 21.2 6.5 122.4 104 125 A S > - 0 0 15 33,-0.3 3,-1.3 54,-0.2 56,-0.1 -0.956 14.8-130.6-135.2 151.8 22.5 9.4 120.4 105 126 A A G > S+ 0 0 19 54,-0.4 3,-1.1 -2,-0.3 55,-0.1 0.559 103.3 74.8 -77.9 -10.5 21.0 12.6 119.0 106 127 A Y G 3 S+ 0 0 39 1,-0.2 -1,-0.3 27,-0.1 32,-0.2 0.603 78.9 72.8 -78.5 -12.3 22.7 11.8 115.7 107 128 A A G < S+ 0 0 2 -3,-1.3 16,-0.4 30,-0.2 -1,-0.2 0.586 93.0 73.4 -68.4 -11.2 20.0 9.1 115.2 108 129 A M S < S- 0 0 7 -3,-1.1 14,-0.1 14,-0.1 2,-0.1 -0.789 84.4-124.2-105.7 147.0 17.7 12.1 114.5 109 130 A P - 0 0 24 0, 0.0 2,-0.2 0, 0.0 12,-0.1 -0.360 44.1 -82.1 -77.1 170.9 17.7 14.3 111.5 110 131 A R - 0 0 121 1,-0.1 5,-0.1 -2,-0.1 4,-0.0 -0.466 55.4 -91.9 -75.8 139.6 18.1 18.1 111.8 111 132 A H > - 0 0 21 4,-0.3 3,-2.7 -2,-0.2 -1,-0.1 -0.363 36.4-133.8 -54.4 125.1 15.0 20.0 112.7 112 133 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.572 105.7 41.0 -65.3 -11.9 13.5 20.9 109.3 113 134 A Q T 3 S- 0 0 153 2,-0.1 -2,-0.1 3,-0.0 -3,-0.0 0.212 118.2-109.8-110.9 12.1 12.9 24.5 110.4 114 135 A G S < S+ 0 0 48 -3,-2.7 154,-0.2 1,-0.2 3,-0.1 0.501 73.7 136.1 75.9 4.1 16.2 24.8 112.3 115 136 A L S S- 0 0 100 1,-0.2 -4,-0.3 -5,-0.1 -1,-0.2 -0.241 70.0 -67.2 -73.7 168.7 14.6 24.8 115.7 116 137 A P - 0 0 50 0, 0.0 153,-0.3 0, 0.0 -1,-0.2 -0.363 63.8-105.8 -61.4 139.2 15.9 22.8 118.6 117 138 A G B -g 269 0B 0 151,-3.3 153,-3.3 -3,-0.1 2,-0.3 -0.209 38.6-173.8 -70.3 154.9 15.5 19.1 118.0 118 139 A H > - 0 0 63 151,-0.2 3,-1.8 153,-0.1 153,-0.1 -0.873 41.2 -90.5-145.8 170.7 13.0 16.8 119.7 119 140 A E T 3 S+ 0 0 15 1,-0.3 97,-0.1 -2,-0.3 -2,-0.0 0.651 113.7 67.3 -64.8 -19.4 12.0 13.2 120.0 120 141 A G T 3 S+ 0 0 48 2,-0.0 2,-0.8 -12,-0.0 -1,-0.3 0.514 72.4 106.5 -79.8 -6.8 9.6 13.3 117.0 121 142 A L < + 0 0 17 -3,-1.8 2,-0.3 -12,-0.1 -10,-0.1 -0.666 48.3 163.6 -77.8 109.5 12.3 13.8 114.5 122 143 A F - 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0 0 111 4,-0.1 3,-2.3 1,-0.1 -1,-0.1 -0.655 46.1 -98.9 -75.4 135.9 7.0 5.1 128.3 213 234 A I T 3 S+ 0 0 96 -2,-0.3 -58,-0.2 1,-0.3 3,-0.1 -0.293 108.8 16.4 -57.7 128.8 8.1 1.8 126.7 214 235 A G T 3 S+ 0 0 18 -60,-3.1 -1,-0.3 1,-0.3 2,-0.2 0.446 100.8 119.6 86.7 0.7 9.4 2.5 123.2 215 236 A E < - 0 0 58 -3,-2.3 -59,-2.7 -61,-0.1 2,-0.3 -0.662 56.6-132.2 -98.9 154.0 9.8 6.2 123.7 216 237 A R E -f 156 0A 4 -2,-0.2 2,-0.4 -61,-0.2 -59,-0.2 -0.740 15.8-163.1 -95.1 150.2 12.9 8.4 123.4 217 238 A Y E -f 157 0A 0 -61,-1.7 -59,-2.7 -2,-0.3 2,-0.4 -0.909 11.2-145.1-138.5 112.3 13.8 11.0 126.0 218 239 A L E -f 158 0A 0 -2,-0.4 2,-0.7 52,-0.2 56,-0.4 -0.610 9.5-158.0 -72.4 125.2 16.3 13.8 125.3 219 240 A L E +f 159 0A 0 -61,-2.2 -59,-1.8 -2,-0.4 2,-0.2 -0.929 26.2 179.9-111.4 103.7 18.3 14.5 128.5 220 241 A T + 0 0 20 -2,-0.7 62,-0.5 -61,-0.2 -25,-0.1 -0.696 27.8 172.3-119.9 160.0 19.6 18.1 127.9 221 242 A G - 0 0 20 -27,-0.3 2,-0.4 -2,-0.2 -26,-0.3 0.525 65.0 -8.9-126.7 -89.7 21.7 20.7 129.6 222 243 A H E -I 194 0C 60 -28,-2.9 -28,-2.5 64,-0.0 2,-0.4 -0.986 53.7-135.1-126.2 131.1 22.7 23.9 127.8 223 244 A N E +I 193 0C 66 -2,-0.4 2,-0.4 -30,-0.2 -30,-0.2 -0.746 42.1 177.2 -80.2 132.1 22.3 24.8 124.1 224 245 A L E -I 192 0C 16 -32,-2.8 -32,-1.9 -2,-0.4 2,-0.2 -0.996 36.5-126.7-148.5 131.8 25.5 26.3 123.1 225 246 A E E > -I 191 0C 78 -2,-0.4 4,-2.3 -34,-0.2 3,-0.4 -0.593 30.6-126.8 -71.3 144.0 27.4 27.7 120.2 226 247 A M H > S+ 0 0 20 -36,-2.3 4,-2.2 -2,-0.2 5,-0.2 0.790 111.3 62.0 -62.2 -29.6 30.8 26.0 119.8 227 248 A A H > S+ 0 0 29 -37,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.915 108.7 40.9 -55.9 -45.0 32.4 29.5 119.8 228 249 A D H > S+ 0 0 60 -3,-0.4 4,-2.5 2,-0.2 5,-0.2 0.871 114.8 48.8 -80.1 -38.1 31.0 30.0 123.4 229 250 A L H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 5,-0.2 0.912 114.7 47.8 -62.8 -45.2 31.8 26.4 124.7 230 251 A T H X S+ 0 0 2 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.908 114.7 47.2 -55.0 -44.5 35.3 26.9 123.3 231 252 A R H X S+ 0 0 81 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.859 108.9 50.4 -76.4 -34.0 35.6 30.3 124.8 232 253 A R H X S+ 0 0 63 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.950 110.9 49.0 -72.0 -44.4 34.3 29.4 128.3 233 254 A I H X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.927 112.5 49.7 -58.7 -47.1 36.7 26.5 128.7 234 255 A A H X>S+ 0 0 0 -4,-1.9 5,-2.6 -5,-0.2 4,-0.7 0.950 110.3 49.2 -53.9 -50.9 39.6 28.7 127.5 235 256 A E H ><5S+ 0 0 113 -4,-2.6 3,-0.7 1,-0.2 -2,-0.2 0.897 112.4 48.1 -61.1 -40.2 38.7 31.5 130.0 236 257 A L H 3<5S+ 0 0 54 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.814 111.9 49.0 -68.7 -34.1 38.5 29.1 132.9 237 258 A L H 3<5S- 0 0 22 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.496 113.6-116.8 -83.5 -2.5 41.8 27.4 132.0 238 259 A G T <<5S+ 0 0 70 -3,-0.7 -3,-0.2 -4,-0.7 -2,-0.1 0.804 74.8 128.0 68.6 33.9 43.5 30.8 131.7 239 260 A Q < - 0 0 72 -5,-2.6 -1,-0.2 -6,-0.2 2,-0.2 -0.682 66.2 -89.8-118.4 165.1 44.2 30.1 128.0 240 261 A P - 0 0 106 0, 0.0 -58,-0.1 0, 0.0 -1,-0.1 -0.504 48.5-103.1 -75.8 146.2 43.5 32.0 124.7 241 262 A A - 0 0 39 -2,-0.2 -10,-0.1 1,-0.1 2,-0.1 -0.476 38.0-110.6 -67.4 131.8 40.1 31.4 122.9 242 263 A P - 0 0 6 0, 0.0 -56,-0.3 0, 0.0 -57,-0.1 -0.408 36.7-120.5 -57.3 140.7 40.4 29.1 119.9 243 264 A Q E -j 186 0D 114 -58,-1.7 -56,-1.9 1,-0.1 2,-0.0 -0.510 27.7 -97.3 -90.1 152.7 39.8 31.0 116.7 244 265 A P E -j 187 0D 83 0, 0.0 2,-0.4 0, 0.0 -56,-0.2 -0.348 32.2-156.6 -69.6 149.2 37.0 30.2 114.2 245 266 A M E -j 188 0D 58 -58,-1.7 -56,-0.6 -2,-0.0 5,-0.1 -0.999 22.4-112.3-130.0 129.5 37.8 28.1 111.3 246 267 A S > - 0 0 64 -2,-0.4 4,-0.6 -58,-0.1 0, 0.0 -0.074 12.0-132.2 -57.7 151.7 35.7 28.2 108.1 247 268 A M H >> S+ 0 0 60 2,-0.2 4,-1.8 1,-0.2 3,-0.6 0.884 111.5 52.2 -70.9 -40.4 33.5 25.3 107.0 248 269 A A H 3> S+ 0 0 66 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.849 105.1 55.8 -60.1 -36.2 34.9 25.7 103.5 249 270 A M H 34 S+ 0 0 126 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.680 105.2 53.8 -73.2 -18.9 38.4 25.6 105.0 250 271 A A H XX S+ 0 0 25 -3,-0.6 4,-1.9 -4,-0.6 3,-0.5 0.886 111.2 42.9 -77.9 -46.4 37.5 22.2 106.6 251 272 A R H 3X S+ 0 0 149 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.855 107.2 61.9 -65.5 -36.7 36.4 20.7 103.3 252 273 A A H 3X S+ 0 0 48 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.735 107.1 45.3 -62.6 -24.3 39.4 22.2 101.6 253 274 A L H <> S+ 0 0 109 -3,-0.5 4,-2.3 -4,-0.4 -2,-0.2 0.860 109.1 53.6 -82.0 -43.6 41.6 20.1 103.9 254 275 A A H X S+ 0 0 50 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.876 111.6 49.0 -51.6 -37.8 39.5 17.0 103.4 255 276 A T H X S+ 0 0 80 -4,-2.4 4,-0.8 2,-0.2 -1,-0.2 0.823 106.7 52.0 -74.9 -38.3 40.2 17.7 99.6 256 277 A L H < S+ 0 0 113 -4,-1.1 3,-0.5 1,-0.2 -1,-0.2 0.849 105.7 59.9 -63.2 -34.7 43.9 18.1 100.1 257 278 A G H < S+ 0 0 56 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.947 91.8 65.1 -52.7 -53.0 43.7 14.7 101.9 258 279 A R H < 0 0 220 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.774 360.0 360.0 -48.2 -36.5 42.3 13.0 98.7 259 280 A L < 0 0 188 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.821 360.0 360.0 -69.7 360.0 45.6 13.7 97.0 260 ! 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 0.0 261 297 A E 0 0 139 0, 0.0 3,-0.4 0, 0.0 -10,-0.0 0.000 360.0 360.0 360.0 -96.2 32.0 17.4 109.0 262 298 A V > + 0 0 37 1,-0.2 3,-1.0 2,-0.1 4,-0.0 0.248 360.0 94.0 -85.1 3.8 29.8 15.9 111.7 263 299 A M T 3 S+ 0 0 131 1,-0.3 -75,-0.3 2,-0.1 -1,-0.2 0.577 108.5 12.0 -65.8 -16.3 32.7 17.6 113.7 264 300 A A T 3 S+ 0 0 14 -3,-0.4 -1,-0.3 -77,-0.1 -73,-0.2 -0.247 101.1 109.0-152.5 53.7 30.2 20.5 113.8 265 301 A G < + 0 0 23 -3,-1.0 2,-0.1 -75,-0.1 -2,-0.1 0.028 50.0 113.9-113.9 24.4 27.0 18.7 112.6 266 302 A G - 0 0 8 -75,-0.2 -75,-0.7 -4,-0.0 2,-0.3 -0.391 48.9-150.7 -88.7 169.8 25.2 18.8 115.9 267 303 A Q - 0 0 20 -77,-0.1 -74,-0.5 -2,-0.1 2,-0.2 -0.876 24.7 -90.5-132.8 170.1 22.0 20.6 116.9 268 304 A F - 0 0 45 -2,-0.3 -151,-3.3 -76,-0.2 2,-0.3 -0.508 43.9-139.9 -72.4 150.8 20.3 22.2 119.9 269 305 A L B -g 117 0B 7 -153,-0.3 2,-0.6 -2,-0.2 -151,-0.2 -0.902 3.5-133.5-121.2 144.1 18.0 19.9 121.8 270 306 A D - 0 0 46 -153,-3.3 3,-0.3 -2,-0.3 -52,-0.2 -0.880 14.6-169.4 -97.8 121.2 14.5 20.4 123.3 271 307 A G > + 0 0 18 -2,-0.6 4,-1.7 1,-0.2 -51,-0.1 0.278 55.1 104.6 -93.5 10.6 14.3 19.1 126.9 272 308 A R H > S+ 0 0 167 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.843 73.5 56.1 -64.3 -40.7 10.5 19.4 127.4 273 309 A K H >>S+ 0 0 37 -3,-0.3 4,-2.7 1,-0.2 5,-0.5 0.966 110.4 45.4 -59.5 -52.7 9.5 15.7 127.0 274 310 A A H >>S+ 0 0 0 -56,-0.4 6,-1.8 1,-0.2 4,-1.7 0.879 114.2 50.5 -55.8 -42.9 11.9 14.6 129.8 275 311 A R H X5S+ 0 0 130 -4,-1.7 4,-0.9 4,-0.3 -1,-0.2 0.934 116.2 37.8 -62.1 -50.6 10.8 17.5 132.1 276 312 A E H <5S+ 0 0 156 -4,-2.7 -2,-0.2 2,-0.1 -3,-0.2 0.923 129.9 29.9 -72.0 -43.3 7.0 16.9 131.8 277 313 A E H <5S+ 0 0 75 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.925 133.0 27.9 -83.6 -46.5 7.1 13.1 131.8 278 314 A L H < - 0 0 49 -2,-0.3 4,-1.3 1,-0.1 3,-0.4 -0.452 22.2-126.5 -61.5 140.5 25.5 26.1 136.0 286 322 A L H > S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.772 108.7 57.0 -58.0 -33.9 27.6 25.2 133.0 287 323 A D H > S+ 0 0 59 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.862 102.7 54.0 -68.2 -38.2 30.7 26.8 134.7 288 324 A D H > S+ 0 0 88 -3,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.871 111.7 46.2 -64.1 -36.0 30.4 24.5 137.7 289 325 A T H X S+ 0 0 1 -4,-1.3 4,-2.2 2,-0.2 3,-0.3 0.962 113.4 47.0 -70.2 -52.7 30.3 21.5 135.3 290 326 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.821 113.7 49.9 -59.0 -34.4 33.3 22.7 133.3 291 327 A L H X S+ 0 0 72 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.822 108.7 51.1 -71.2 -31.0 35.2 23.4 136.5 292 328 A R H X S+ 0 0 67 -4,-1.4 4,-2.1 -3,-0.3 -2,-0.2 0.899 113.2 45.3 -77.7 -38.6 34.5 20.0 138.0 293 329 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.957 111.6 53.1 -60.9 -54.0 35.8 18.3 134.8 294 330 A I H X S+ 0 0 2 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.908 110.9 46.8 -49.4 -46.9 38.7 20.7 134.8 295 331 A D H X S+ 0 0 75 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.893 110.2 51.4 -66.8 -41.9 39.6 19.7 138.3 296 332 A W H X S+ 0 0 42 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.948 111.3 48.6 -57.5 -47.7 39.3 16.0 137.8 297 333 A F H <>S+ 0 0 0 -4,-2.8 5,-2.9 1,-0.2 6,-0.5 0.894 112.6 49.0 -61.4 -39.2 41.5 16.2 134.8 298 334 A R H ><5S+ 0 0 126 -4,-1.9 3,-1.7 -5,-0.3 -1,-0.2 0.922 107.2 52.0 -68.2 -46.5 44.1 18.2 136.7 299 335 A D H 3<5S+ 0 0 135 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.809 113.9 46.4 -61.6 -29.0 44.3 15.9 139.8 300 336 A N T 3<5S- 0 0 91 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.299 117.6-113.1 -99.3 9.8 44.9 13.0 137.5 301 337 A G T < 5 + 0 0 56 -3,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.814 69.9 138.3 71.4 33.1 47.5 14.7 135.4 302 338 A Y < + 0 0 57 -5,-2.9 2,-0.5 -6,-0.1 -4,-0.2 0.620 61.0 75.2 -79.9 -16.5 45.7 15.1 132.0 303 339 A F 0 0 37 -6,-0.5 -122,-0.1 -5,-0.1 -125,-0.0 -0.885 360.0 360.0 -98.6 129.9 47.1 18.6 131.8 304 340 A N 0 0 174 -2,-0.5 -1,-0.1 0, 0.0 -123,-0.1 0.548 360.0 360.0 -74.8 360.0 50.8 19.0 130.9