==== 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 LYASE 29-JAN-07 2OPI . COMPND 2 MOLECULE: L-FUCULOSE-1-PHOSPHATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR C.CHANG,L.VOLKART,J.ABDULLAH,A.JOACHIMIAK,MIDWEST CENTER FOR . 412 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18229.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 284 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 25 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 0 2 1 0 2 0 4 0 0 1 0 0 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 0 0 6 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 X 0 0 159 0, 0.0 2,-0.9 0, 0.0 34,-0.0 0.000 360.0 360.0 360.0 57.0 32.9 76.3 -0.1 2 2 A I - 0 0 36 4,-0.1 2,-0.1 3,-0.0 55,-0.0 -0.772 360.0-169.2 -92.2 104.3 32.0 77.7 3.3 3 3 A T > - 0 0 67 -2,-0.9 4,-1.4 1,-0.1 3,-0.4 -0.412 38.2-110.3 -80.5 166.4 34.8 79.9 4.6 4 4 A D H > S+ 0 0 132 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.764 119.6 67.6 -66.9 -24.9 34.7 81.1 8.2 5 5 A E H > S+ 0 0 156 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.881 100.2 47.7 -60.5 -41.0 34.1 84.5 6.6 6 6 A H H > S+ 0 0 51 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.911 115.0 45.4 -62.7 -43.9 30.7 83.2 5.5 7 7 A I H X S+ 0 0 24 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.864 111.5 51.9 -71.4 -34.7 30.0 81.8 9.0 8 8 A E H X S+ 0 0 141 -4,-3.2 4,-2.5 2,-0.2 -1,-0.2 0.870 109.3 49.7 -71.2 -37.1 31.2 85.0 10.7 9 9 A L H X S+ 0 0 77 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.919 110.6 51.2 -64.6 -42.3 28.9 87.1 8.5 10 10 A F H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.917 111.3 47.3 -57.6 -48.5 26.0 84.7 9.4 11 11 A L H X S+ 0 0 22 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.931 112.8 48.3 -58.8 -49.9 26.8 85.1 13.2 12 12 A A H X S+ 0 0 51 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.888 113.9 47.5 -57.4 -40.6 27.0 89.0 12.9 13 13 A Q H X S+ 0 0 23 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.869 109.2 52.1 -74.7 -38.3 23.7 89.1 11.0 14 14 A A H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.891 110.2 51.6 -54.5 -44.8 22.0 86.8 13.5 15 15 A H H X S+ 0 0 67 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.867 105.5 52.6 -65.7 -39.8 23.1 89.1 16.2 16 16 A R H X S+ 0 0 70 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.822 107.4 52.7 -69.1 -28.0 21.8 92.2 14.6 17 17 A Y H <>S+ 0 0 0 -4,-1.4 5,-2.0 2,-0.2 6,-0.5 0.853 110.4 49.3 -68.3 -35.0 18.4 90.6 14.2 18 18 A G H ><5S+ 0 0 12 -4,-1.4 3,-1.4 29,-0.2 -2,-0.2 0.890 106.3 54.9 -70.3 -43.0 18.6 89.8 18.0 19 19 A D H 3<5S+ 0 0 129 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.756 106.2 52.3 -60.1 -30.7 19.5 93.5 18.8 20 20 A A T 3<5S- 0 0 40 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.513 112.6-124.3 -81.9 -4.4 16.4 94.6 16.9 21 21 A K T < 5 + 0 0 141 -3,-1.4 76,-0.5 2,-0.2 -3,-0.2 0.825 62.8 145.1 62.2 34.7 14.3 92.2 19.1 22 22 A L S - 0 0 30 -2,-0.3 3,-1.9 71,-0.1 23,-0.1 -0.953 58.7 -43.2-121.3 138.5 13.7 86.5 21.8 25 25 A C T 3 S- 0 0 8 -2,-0.4 22,-0.6 1,-0.2 24,-0.2 -0.113 121.1 -9.0 47.9-123.5 15.9 83.7 23.2 26 26 A S T 3 S+ 0 0 8 20,-0.2 -1,-0.2 21,-0.1 18,-0.2 0.416 104.7 106.6 -94.1 2.7 15.5 80.3 21.4 27 27 A S < + 0 0 4 -3,-1.9 20,-0.3 68,-0.1 68,-0.1 -0.514 66.4 25.3 -81.2 151.7 12.5 81.2 19.2 28 28 A G - 0 0 10 66,-0.2 2,-0.3 -2,-0.2 19,-0.2 0.051 65.7-134.1 82.4 167.0 12.9 81.7 15.5 29 29 A N E -A 93 0A 6 64,-1.9 64,-2.9 17,-0.1 2,-0.4 -0.987 5.9-149.0-162.7 151.9 15.5 80.5 12.9 30 30 A L E -A 92 0A 0 -2,-0.3 11,-2.3 62,-0.2 2,-0.3 -0.946 9.8-173.9-132.7 140.4 17.6 81.8 10.1 31 31 A S E -AB 91 40A 0 60,-1.9 60,-1.7 -2,-0.4 2,-0.4 -0.985 5.6-163.6-137.1 148.8 19.0 80.3 6.9 32 32 A W E -AB 90 39A 36 7,-2.6 7,-2.4 -2,-0.3 2,-0.3 -0.963 16.3-137.2-138.7 117.1 21.4 81.5 4.2 33 33 A R E + B 0 38A 49 56,-2.9 2,-0.3 -2,-0.4 5,-0.2 -0.555 24.0 172.6 -68.4 125.0 21.8 80.0 0.7 34 34 A I E > - B 0 37A 18 3,-3.2 3,-1.7 -2,-0.3 2,-0.3 -0.789 63.7 -64.8-133.4 92.5 25.5 79.7 -0.4 35 35 A G T 3 S- 0 0 55 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 -0.527 116.2 -13.8 68.8-122.9 25.5 77.8 -3.7 36 36 A E T 3 S+ 0 0 160 -2,-0.3 24,-3.0 -3,-0.1 25,-0.5 0.440 132.3 61.3 -92.1 -5.2 24.3 74.2 -3.2 37 37 A E E < -BC 34 59A 43 -3,-1.7 -3,-3.2 22,-0.2 2,-0.3 -0.774 66.5-153.6-117.7 166.6 24.5 74.5 0.6 38 38 A A E -BC 33 58A 0 20,-2.3 20,-2.6 -2,-0.3 2,-0.5 -0.997 15.8-129.8-139.2 143.7 22.9 76.6 3.2 39 39 A L E -BC 32 57A 0 -7,-2.4 -7,-2.6 -2,-0.3 2,-0.4 -0.817 32.4-179.6 -85.1 128.6 23.8 77.9 6.7 40 40 A I E -BC 31 56A 0 16,-2.6 16,-3.3 -2,-0.5 -9,-0.2 -0.994 33.7-107.8-130.1 136.6 21.0 77.2 9.2 41 41 A S E - C 0 55A 2 -11,-2.3 31,-2.1 -2,-0.4 14,-0.2 -0.393 48.1-105.1 -57.1 139.6 20.8 78.1 12.8 42 42 A G B > -H 71 0B 3 12,-2.9 3,-1.7 29,-0.2 -1,-0.1 -0.327 41.0 -87.0 -73.8 151.5 21.1 74.9 14.9 43 43 A T T 3 S+ 0 0 18 27,-2.1 -1,-0.1 1,-0.3 29,-0.1 -0.293 112.7 8.6 -59.0 135.4 18.1 73.4 16.6 44 44 A G T 3 S+ 0 0 28 1,-0.2 -1,-0.3 -18,-0.2 -2,-0.1 0.236 95.7 136.1 80.1 -15.1 17.6 74.9 20.1 45 45 A S < - 0 0 5 -3,-1.7 2,-0.9 9,-0.1 -1,-0.2 -0.226 61.3-119.0 -63.2 153.8 20.2 77.6 19.6 46 46 A W > - 0 0 45 1,-0.2 3,-1.2 3,-0.1 -20,-0.2 -0.857 22.9-160.7 -95.1 106.7 19.5 81.2 20.7 47 47 A V G > S+ 0 0 0 -2,-0.9 3,-0.8 -22,-0.6 -29,-0.2 0.783 84.6 60.0 -62.2 -34.2 19.7 83.2 17.4 48 48 A P G 3 S+ 0 0 22 0, 0.0 -1,-0.3 0, 0.0 -30,-0.2 0.784 120.6 27.4 -63.5 -24.9 20.2 86.6 19.1 49 49 A T G < S- 0 0 98 -3,-1.2 -2,-0.2 -24,-0.2 -3,-0.1 0.026 97.5-176.7-123.5 24.7 23.5 85.3 20.8 50 50 A L < - 0 0 1 -3,-0.8 2,-0.2 1,-0.1 -35,-0.1 -0.357 16.0-137.2 -60.5 140.8 24.5 82.6 18.2 51 51 A A > - 0 0 32 -2,-0.0 3,-4.1 -9,-0.0 -9,-0.2 -0.769 14.1-136.1 130.5 55.7 27.0 80.7 18.6 52 52 A K G > S+ 0 0 136 1,-0.3 3,-0.8 -2,-0.2 -2,-0.1 0.761 109.0 55.9 -38.6 -38.4 29.7 79.5 16.1 53 53 A E G 3 S+ 0 0 141 1,-0.2 -1,-0.3 -11,-0.0 -3,-0.0 0.624 104.2 54.9 -72.4 -15.7 29.3 75.9 17.5 54 54 A K G < S+ 0 0 111 -3,-4.1 -12,-2.9 -12,-0.1 2,-0.5 -0.189 77.9 109.7-118.3 39.7 25.5 75.9 16.7 55 55 A V E < -C 41 0A 3 -3,-0.8 2,-0.4 -14,-0.2 -14,-0.2 -0.980 55.8-147.7-114.5 123.4 25.5 76.8 13.0 56 56 A S E -C 40 0A 0 -16,-3.3 -16,-2.6 -2,-0.5 2,-0.5 -0.704 5.6-153.7 -92.4 135.4 24.5 74.0 10.6 57 57 A I E -C 39 0A 23 -2,-0.4 9,-2.4 -18,-0.2 10,-0.6 -0.958 26.9-176.7-102.3 124.4 25.8 73.6 7.1 58 58 A C E -CD 38 65A 0 -20,-2.6 -20,-2.3 -2,-0.5 2,-0.4 -0.969 33.0-117.8-128.7 137.7 23.2 71.7 5.0 59 59 A N E > -C 37 0A 48 5,-2.0 4,-2.5 -2,-0.4 -22,-0.2 -0.601 26.9-144.8 -64.8 126.1 23.0 70.3 1.5 60 60 A I T 4 S+ 0 0 11 -24,-3.0 -1,-0.1 -2,-0.4 -23,-0.1 0.914 93.6 47.7 -64.1 -44.6 20.1 72.2 -0.0 61 61 A A T 4 S+ 0 0 79 -25,-0.5 -1,-0.2 1,-0.2 -24,-0.1 0.882 126.8 24.8 -65.3 -38.5 18.8 69.4 -2.2 62 62 A S T 4 S- 0 0 68 2,-0.1 -2,-0.2 0, 0.0 -1,-0.2 0.718 90.9-134.5-101.2 -29.4 18.8 66.7 0.6 63 63 A G < + 0 0 17 -4,-2.5 -3,-0.1 1,-0.2 -2,-0.1 0.417 56.4 137.7 85.1 -0.2 18.5 68.7 3.8 64 64 A T - 0 0 76 -5,-0.1 -5,-2.0 -6,-0.1 -1,-0.2 -0.657 52.6-122.0 -92.7 134.0 21.3 66.8 5.5 65 65 A P B -D 58 0A 52 0, 0.0 -7,-0.3 0, 0.0 5,-0.1 -0.300 18.7-170.7 -63.9 148.0 24.0 68.5 7.7 66 66 A T S S+ 0 0 88 -9,-2.4 -8,-0.1 3,-0.1 -10,-0.0 0.438 77.0 57.6-115.9 -5.2 27.7 68.1 6.9 67 67 A N S S- 0 0 55 -10,-0.6 3,-0.1 2,-0.2 -12,-0.1 0.226 110.8-101.7-113.5 14.6 29.3 69.6 9.9 68 68 A G S S+ 0 0 81 1,-0.2 2,-0.6 -11,-0.2 -12,-0.1 0.580 83.8 124.2 77.4 10.0 27.9 67.6 12.8 69 69 A V - 0 0 27 -12,-0.2 -2,-0.2 -14,-0.1 -1,-0.2 -0.911 61.7-131.7-109.8 118.2 25.4 70.3 13.8 70 70 A K - 0 0 115 -2,-0.6 -27,-2.1 -27,-0.1 3,-0.1 -0.495 30.0-133.6 -66.9 121.2 21.7 69.4 13.9 71 71 A P B -H 42 0B 16 0, 0.0 -29,-0.2 0, 0.0 4,-0.1 -0.317 32.4 -74.7 -74.4 158.7 19.9 72.1 12.0 72 72 A S > - 0 0 5 -31,-2.1 3,-1.2 -42,-0.2 2,-0.2 -0.121 45.4-113.6 -37.2 136.9 16.7 73.9 13.1 73 73 A X T 3 S+ 0 0 38 1,-0.2 62,-0.1 2,-0.1 63,-0.1 -0.505 113.4 51.6 -62.2 155.2 13.5 71.9 13.0 74 74 A E T 3> + 0 0 4 61,-0.4 4,-1.9 -2,-0.2 3,-0.5 0.532 69.1 119.2 77.6 2.2 11.7 73.9 10.3 75 75 A S H <> + 0 0 25 -3,-1.2 4,-2.6 1,-0.2 5,-0.3 0.728 67.8 71.3 -58.6 -23.6 14.8 73.5 8.1 76 76 A T H > S+ 0 0 66 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.880 102.1 35.3 -67.3 -39.1 12.1 71.7 6.1 77 77 A F H > S+ 0 0 0 -3,-0.5 4,-2.8 2,-0.2 -2,-0.2 0.881 116.2 54.8 -82.5 -35.4 10.3 75.0 5.1 78 78 A H H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.961 115.5 38.3 -55.6 -54.3 13.5 77.0 4.9 79 79 A L H X S+ 0 0 2 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.860 114.0 57.8 -67.4 -34.5 15.1 74.6 2.4 80 80 A G H X S+ 0 0 12 -4,-1.1 4,-1.3 -5,-0.3 -1,-0.2 0.907 108.7 45.2 -55.8 -46.0 11.6 74.2 0.8 81 81 A V H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.854 111.7 51.2 -70.1 -37.0 11.5 77.9 0.2 82 82 A L H < S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.895 108.8 52.2 -69.8 -37.7 15.1 78.1 -1.2 83 83 A R H < S+ 0 0 115 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.837 117.6 36.3 -63.8 -36.1 14.4 75.2 -3.6 84 84 A E H < S+ 0 0 56 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.691 116.5 54.7 -93.4 -21.4 11.3 76.9 -5.1 85 85 A R >< + 0 0 21 -4,-1.9 3,-1.5 -5,-0.1 -1,-0.2 -0.795 56.8 175.5-115.1 87.9 12.5 80.5 -4.9 86 86 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.824 82.0 59.0 -62.4 -26.0 15.9 80.8 -6.8 87 87 A D T 3 S+ 0 0 94 -3,-0.1 2,-0.3 2,-0.0 -5,-0.1 0.640 90.3 87.2 -73.8 -18.2 15.8 84.6 -6.2 88 88 A V < + 0 0 1 -3,-1.5 77,-0.3 -7,-0.2 3,-0.1 -0.690 40.4 163.2 -92.0 135.1 15.7 84.1 -2.4 89 89 A N + 0 0 51 75,-2.8 -56,-2.9 -2,-0.3 2,-0.4 0.611 64.4 44.3-119.5 -29.3 18.9 83.8 -0.4 90 90 A V E -AE 32 164A 0 74,-2.4 74,-1.5 -58,-0.2 2,-0.4 -0.968 56.9-175.3-122.2 136.0 17.9 84.5 3.2 91 91 A V E -AE 31 163A 0 -60,-1.7 -60,-1.9 -2,-0.4 2,-0.5 -0.995 6.7-170.9-127.4 127.3 14.8 83.2 5.1 92 92 A L E -AE 30 162A 0 70,-2.4 70,-2.2 -2,-0.4 2,-0.6 -0.968 12.1-166.9-121.3 120.5 14.0 84.4 8.7 93 93 A H E +AE 29 161A 2 -64,-2.9 -64,-1.9 -2,-0.5 68,-0.2 -0.933 31.8 160.0 -94.7 122.1 11.4 83.0 11.0 94 94 A F E - E 0 160A 0 66,-2.7 66,-2.3 -2,-0.6 -71,-0.2 -0.625 39.2-143.1-134.4-169.1 11.0 85.5 13.8 95 95 A Q + 0 0 2 -73,-3.2 -71,-0.1 64,-0.2 -68,-0.1 -0.417 28.4 177.2-163.1 67.3 8.6 86.6 16.6 96 96 A S > - 0 0 3 -73,-0.1 4,-1.9 78,-0.1 5,-0.2 -0.294 38.0 -95.7 -84.9 167.1 8.6 90.4 17.2 97 97 A E H > S+ 0 0 74 -76,-0.5 4,-1.5 1,-0.2 3,-0.4 0.920 110.5 20.6 -40.8 -83.3 6.4 92.4 19.7 98 98 A Y H > S+ 0 0 26 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.783 121.8 57.4 -74.4 -27.1 3.4 93.9 17.9 99 99 A A H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.845 106.1 49.6 -70.7 -33.7 3.4 91.4 15.0 100 100 A T H X S+ 0 0 0 -4,-1.9 4,-1.9 -3,-0.4 -2,-0.2 0.881 106.5 55.9 -74.0 -34.5 3.1 88.4 17.4 101 101 A A H X S+ 0 0 0 -4,-1.5 4,-0.6 -5,-0.2 -2,-0.2 0.924 109.8 46.6 -55.2 -46.8 0.2 90.1 19.2 102 102 A I H >< S+ 0 0 0 -4,-1.8 3,-0.7 1,-0.2 -2,-0.2 0.861 106.2 60.7 -62.2 -39.5 -1.4 90.2 15.7 103 103 A S H 3< S+ 0 0 0 -4,-2.0 54,-1.5 1,-0.2 -2,-0.2 0.893 109.7 40.8 -51.6 -42.4 -0.5 86.5 15.3 104 104 A C H 3< S+ 0 0 0 -4,-1.9 292,-2.8 52,-0.2 -1,-0.2 0.517 88.8 118.1 -91.9 -5.4 -2.5 85.5 18.3 105 105 A X B << -I 395 0C 28 -3,-0.7 3,-0.3 -4,-0.6 290,-0.3 -0.361 56.4-149.2 -64.4 137.0 -5.5 87.8 17.6 106 106 A K S S+ 0 0 131 288,-2.3 2,-0.7 1,-0.3 289,-0.1 0.889 95.4 40.5 -71.3 -41.5 -8.8 86.1 17.0 107 107 A N S S- 0 0 113 287,-0.6 -1,-0.3 -3,-0.0 287,-0.1 -0.777 85.2-167.3-113.3 86.4 -10.0 88.9 14.7 108 108 A K - 0 0 47 -2,-0.7 2,-0.1 -3,-0.3 -5,-0.0 -0.317 27.0-102.0 -69.7 148.6 -7.0 89.9 12.5 109 109 A P - 0 0 22 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.381 22.3-152.4 -58.4 151.1 -6.8 93.0 10.4 110 110 A T S S+ 0 0 142 1,-0.2 2,-0.4 -2,-0.1 16,-0.1 0.488 79.3 46.0-106.7 -8.5 -7.4 92.3 6.6 111 111 A N + 0 0 54 1,-0.1 -1,-0.2 14,-0.1 14,-0.1 -0.961 49.9 172.2-143.2 118.4 -5.4 95.2 5.3 112 112 A F + 0 0 13 -2,-0.4 2,-2.0 12,-0.2 3,-0.3 0.396 44.1 116.2-105.6 0.4 -1.9 96.2 6.5 113 113 A N + 0 0 12 11,-0.2 81,-2.8 1,-0.2 3,-0.1 -0.460 27.4 139.5 -79.9 80.5 -1.1 98.9 3.9 114 114 A V + 0 0 22 -2,-2.0 2,-0.3 79,-0.2 -1,-0.2 0.718 67.9 17.2-105.5 -27.1 -0.8 101.8 6.3 115 115 A T S > S- 0 0 42 -3,-0.3 3,-1.0 79,-0.1 79,-0.1 -0.884 85.8-103.0-131.1 171.4 2.2 103.6 4.9 116 116 A A T 3> S+ 0 0 38 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.772 114.6 68.7 -59.8 -31.8 3.9 103.3 1.5 117 117 A E H 3>>S+ 0 0 76 2,-0.2 4,-2.6 1,-0.2 5,-0.7 0.776 92.4 59.5 -60.4 -32.0 6.7 101.3 3.0 118 118 A I H <>>S+ 0 0 1 -3,-1.0 5,-2.4 2,-0.2 4,-1.4 0.989 108.4 38.9 -68.5 -61.0 4.4 98.3 3.6 119 119 A P H 45S+ 0 0 20 0, 0.0 5,-0.3 0, 0.0 -1,-0.2 0.904 119.9 50.5 -58.1 -35.9 3.4 97.5 0.0 120 120 A C H <5S+ 0 0 75 -4,-1.7 -2,-0.2 3,-0.2 -3,-0.2 0.961 129.6 11.6 -62.2 -55.6 6.9 98.3 -1.2 121 121 A H H <5S+ 0 0 59 -4,-2.6 -3,-0.2 -5,-0.1 52,-0.1 0.879 135.7 35.3 -97.2 -42.7 8.9 96.2 1.2 122 122 A V T < - 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0 0 47 -4,-0.2 3,-0.1 1,-0.1 -27,-0.1 -0.960 52.0-161.2-134.3 152.2 5.4 74.6 38.6 355 151 B N S S+ 0 0 40 -29,-0.3 12,-1.9 -2,-0.3 2,-0.3 0.431 81.0 45.0-104.8 -2.7 8.3 76.7 37.4 356 152 B S E + P 0 366D 1 -27,-0.2 2,-0.3 10,-0.2 10,-0.2 -0.974 59.2 175.3-151.2 126.3 6.4 79.9 37.0 357 153 B V E - P 0 365D 0 8,-2.6 8,-2.4 -2,-0.3 2,-0.5 -0.971 22.7-137.9-134.4 146.0 3.9 81.8 39.2 358 154 B L E -oP 332 364D 0 -27,-2.3 -25,-2.8 -2,-0.3 2,-0.6 -0.915 13.1-156.5-100.4 124.4 2.1 85.1 39.1 359 155 B L E >> -oP 333 363D 3 4,-2.8 4,-1.7 -2,-0.5 3,-1.2 -0.909 25.5-123.8 -97.5 118.9 1.9 87.1 42.4 360 156 B T T 34 S+ 0 0 19 -27,-2.9 -24,-0.2 -2,-0.6 -52,-0.2 -0.430 87.8 1.3 -72.8 135.9 -1.0 89.4 42.2 361 157 B N T 34 S+ 0 0 95 -54,-2.0 -1,-0.3 -57,-0.3 -53,-0.1 0.799 132.9 58.7 61.4 33.1 -0.3 93.1 42.8 362 158 B H T <4 S- 0 0 21 -3,-1.2 2,-0.3 1,-0.2 -2,-0.2 0.405 98.3-100.3-149.3 -65.4 3.4 92.3 43.1 363 159 B G E < - P 0 359D 0 -4,-1.7 -4,-2.8 -60,-0.1 2,-0.3 -0.948 42.4 -63.6 160.7-142.7 5.2 90.5 40.3 364 160 B Q E -NP 298 358D 0 -66,-2.6 -66,-2.6 -2,-0.3 2,-0.4 -0.952 22.9-144.2-146.9 159.2 6.3 87.1 39.4 365 161 B V E +NP 297 357D 0 -8,-2.4 -8,-2.6 -2,-0.3 2,-0.3 -0.992 18.0 175.9-128.8 139.7 8.5 84.1 40.3 366 162 B V E -NP 296 356D 0 -70,-2.9 -70,-3.7 -2,-0.4 2,-0.3 -0.968 3.0-176.5-139.2 150.3 10.4 81.7 38.1 367 163 B C E +N 295 0D 0 -12,-1.9 2,-0.3 -2,-0.3 -72,-0.2 -0.967 11.3 140.5-144.6 163.4 12.9 78.9 38.6 368 164 B G E -N 294 0D 2 -74,-2.1 -75,-2.4 -2,-0.3 -74,-2.1 -0.984 57.9 -68.6-179.2-172.7 15.0 76.4 36.8 369 165 B K S S- 0 0 134 -2,-0.3 2,-0.2 -77,-0.2 -1,-0.1 0.827 104.0 -8.6 -69.1 -38.6 18.2 74.3 36.3 370 166 B D S > S- 0 0 79 -76,-0.1 4,-1.8 -77,-0.1 5,-0.1 -0.811 79.6 -82.7-147.6-173.2 20.5 77.3 35.4 371 167 B F H > S+ 0 0 16 -2,-0.2 4,-2.4 2,-0.2 5,-0.1 0.851 120.9 51.1 -68.2 -36.9 20.7 81.0 34.6 372 168 B D H > S+ 0 0 80 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.921 110.6 47.3 -69.0 -46.0 19.9 80.6 30.9 373 169 B Q H > S+ 0 0 63 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.916 113.8 48.7 -59.5 -46.6 16.7 78.5 31.5 374 170 B V H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.926 112.9 48.1 -59.6 -44.3 15.6 81.0 34.1 375 171 B Y H X S+ 0 0 53 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.933 113.3 47.7 -61.0 -46.4 16.3 83.9 31.7 376 172 B E H X S+ 0 0 20 -4,-3.2 4,-1.9 1,-0.2 5,-0.2 0.946 113.6 47.3 -59.0 -50.3 14.4 82.0 29.0 377 173 B R H X S+ 0 0 22 -4,-3.3 4,-1.8 1,-0.2 -2,-0.2 0.903 112.3 49.6 -59.3 -45.7 11.5 81.3 31.3 378 174 B A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.939 110.7 49.4 -58.9 -48.5 11.3 84.9 32.6 379 175 B T H X S+ 0 0 15 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.831 113.3 45.2 -62.8 -37.9 11.3 86.5 29.1 380 176 B F H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.778 109.0 55.4 -80.9 -27.1 8.6 84.2 27.7 381 177 B F H X S+ 0 0 0 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.958 113.1 44.2 -62.4 -49.3 6.5 84.7 30.8 382 178 B E H X S+ 0 0 11 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.889 112.0 52.6 -60.5 -42.1 6.8 88.5 30.0 383 179 B X H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.924 105.8 52.4 -64.7 -45.3 6.2 87.9 26.3 384 180 B A H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.950 112.4 46.9 -51.6 -50.1 2.9 86.0 26.9 385 181 B C H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.883 109.6 53.5 -61.1 -40.3 1.7 88.8 29.1 386 182 B R H X S+ 0 0 37 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.906 108.9 49.3 -59.2 -44.3 2.8 91.4 26.4 387 183 B I H X S+ 0 0 2 -4,-2.6 4,-2.1 2,-0.2 6,-0.3 0.904 112.0 49.5 -59.1 -45.3 0.7 89.5 23.8 388 184 B I H X>S+ 0 0 12 -4,-2.1 5,-1.9 -5,-0.2 4,-0.6 0.935 115.4 40.1 -66.0 -48.8 -2.3 89.5 26.0 389 185 B V H ><5S+ 0 0 51 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.964 119.2 46.6 -62.9 -49.3 -2.3 93.1 26.9 390 186 B Q H 3<5S+ 0 0 16 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.739 106.9 55.3 -72.4 -26.0 -1.3 94.3 23.4 391 187 B S H 3<5S- 0 0 12 -4,-2.1 3,-0.5 -5,-0.2 -1,-0.3 0.693 114.2-118.7 -74.4 -18.3 -3.9 92.1 21.6 392 188 B G T <<5 - 0 0 65 -3,-1.0 -3,-0.2 -4,-0.6 -2,-0.1 0.698 58.2 -69.6 83.6 23.1 -6.5 93.8 23.8 393 189 B G S - 0 0 63 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.409 22.0-113.4 -71.5 150.7 -5.5 73.5 22.1 400 196 B P H > S+ 0 0 110 0, 0.0 4,-1.9 0, 0.0 3,-0.2 0.954 122.0 48.5 -52.2 -54.5 -4.8 70.8 24.8 401 197 B E H > S+ 0 0 130 1,-0.2 4,-2.6 2,-0.2 3,-0.2 0.922 111.0 51.8 -44.4 -51.6 -4.1 68.3 22.0 402 198 B E H > S+ 0 0 56 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.832 107.0 51.5 -62.0 -36.1 -1.8 70.9 20.3 403 199 B I H < S+ 0 0 47 -4,-2.6 -1,-0.2 -3,-0.2 3,-0.2 0.851 111.3 48.4 -70.4 -29.3 0.2 71.5 23.5 404 200 B E H >< S+ 0 0 114 -4,-1.9 3,-2.1 -5,-0.2 4,-0.3 0.894 101.7 63.5 -72.0 -42.1 0.7 67.7 23.8 405 201 B D H >X S+ 0 0 58 -4,-2.6 3,-1.4 1,-0.3 4,-0.7 0.790 88.0 73.2 -44.5 -35.5 1.8 67.6 20.2 406 202 B L H 3X S+ 0 0 3 -4,-0.9 4,-3.1 1,-0.3 -1,-0.3 0.691 74.9 79.3 -60.3 -21.1 4.8 69.8 21.3 407 203 B E H <> S+ 0 0 110 -3,-2.1 4,-2.5 1,-0.2 -1,-0.3 0.864 93.9 49.9 -52.4 -41.1 6.4 66.8 23.0 408 204 B I H <> S+ 0 0 81 -3,-1.4 4,-2.2 -4,-0.3 -1,-0.2 0.852 111.0 48.2 -66.2 -40.7 7.6 65.6 19.6 409 205 B Y H X S+ 0 0 25 -4,-0.7 4,-1.5 2,-0.2 -2,-0.2 0.917 111.9 49.1 -66.2 -44.8 9.0 69.1 18.8 410 206 B V H < S+ 0 0 79 -4,-3.1 -2,-0.2 2,-0.2 -1,-0.2 0.907 110.2 52.5 -62.7 -44.1 10.7 69.2 22.3 411 207 B L H < S+ 0 0 143 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.968 105.9 52.6 -50.3 -59.9 12.2 65.7 21.6 412 208 B G H < 0 0 20 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.797 360.0 360.0 -48.3 -35.8 13.6 66.8 18.2 413 209 B K < 0 0 79 -4,-1.5 -1,-0.3 -3,-0.1 -2,-0.2 0.677 360.0 360.0 -70.2 360.0 15.3 69.7 19.9