==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 04-SEP-13 4MJZ . COMPND 2 MOLECULE: OROTIDINE 5'-PHOSPHATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TOXOPLASMA GONDII; . AUTHOR G.MINASOV,Z.WAWRZAK,J.RUAN,H.NGO,L.SHUVALOVA,I.DUBROVSKA, . 580 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25665.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 422 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 . 37 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 201 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.6 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 4 2 0 0 2 0 2 2 2 2 0 4 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 6 4 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 2 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 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 20 A E 0 0 227 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 81.0 47.3 79.8 -3.2 2 21 A G + 0 0 86 1,-0.2 0, 0.0 2,-0.0 0, 0.0 -0.024 360.0 108.2 -90.6 29.8 45.8 80.2 0.3 3 22 A C + 0 0 106 2,-0.0 -1,-0.2 0, 0.0 2,-0.2 -0.181 41.1 151.4 -99.2 36.1 43.8 77.0 -0.5 4 23 A K + 0 0 34 -3,-0.1 2,-0.2 4,-0.0 83,-0.1 -0.483 16.5 166.6 -69.0 139.4 45.8 74.8 1.9 5 24 A N - 0 0 10 1,-0.2 134,-0.2 -2,-0.2 197,-0.1 -0.614 39.2-106.6-135.3-165.0 43.7 71.9 3.2 6 25 A F S > S+ 0 0 0 132,-1.7 4,-2.4 196,-0.8 197,-0.2 0.901 100.3 26.5 -95.8 -71.0 44.3 68.6 5.1 7 26 A F H > S+ 0 0 3 195,-2.6 4,-2.7 2,-0.2 5,-0.2 0.826 122.9 44.7 -68.7 -38.2 43.9 65.5 2.9 8 27 A K H > S+ 0 0 100 194,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.918 118.1 45.2 -73.6 -40.0 44.7 66.9 -0.6 9 28 A T H > S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.916 114.2 52.2 -64.7 -42.5 47.7 68.7 0.7 10 29 A L H X S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 5,-0.2 0.957 106.3 50.5 -56.3 -58.3 48.6 65.6 2.6 11 30 A D H X S+ 0 0 58 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.847 113.0 47.3 -51.1 -40.6 48.4 63.2 -0.4 12 31 A A H X S+ 0 0 59 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.893 113.5 47.4 -69.4 -40.2 50.7 65.5 -2.4 13 32 A R H X S+ 0 0 25 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.890 110.5 53.0 -67.0 -40.2 53.1 65.9 0.5 14 33 A I H X>S+ 0 0 0 -4,-3.3 5,-1.1 1,-0.2 4,-0.8 0.911 115.8 39.4 -61.1 -45.4 53.1 62.1 1.0 15 34 A E H <5S+ 0 0 128 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.882 114.5 54.6 -73.3 -37.6 53.9 61.5 -2.7 16 35 A A H <5S+ 0 0 80 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.962 126.2 19.1 -61.4 -55.5 56.4 64.4 -2.8 17 36 A V H <5S- 0 0 30 -4,-2.5 -1,-0.2 2,-0.1 -2,-0.2 0.379 102.6-125.4 -97.8 1.0 58.7 63.4 0.1 18 37 A D T <5 + 0 0 66 -4,-0.8 2,-0.3 -5,-0.3 -3,-0.2 0.968 63.6 122.3 54.8 67.2 57.5 59.7 0.2 19 38 A S < - 0 0 0 -5,-1.1 -1,-0.2 -6,-0.1 -2,-0.1 -0.995 51.1-171.1-158.9 147.8 56.5 59.5 3.8 20 39 A L + 0 0 0 -2,-0.3 238,-2.4 258,-0.1 2,-0.3 0.132 56.2 129.2-117.1 11.1 53.6 58.6 6.1 21 40 A L E -a 258 0A 0 34,-0.4 36,-2.6 236,-0.2 37,-0.8 -0.533 40.0-167.3 -75.9 128.7 55.6 59.9 9.1 22 41 A T E -ab 259 58A 0 236,-3.1 238,-1.9 -2,-0.3 2,-0.6 -0.952 12.5-144.6-113.6 134.8 53.9 62.4 11.3 23 42 A V E -ab 260 59A 1 35,-2.4 37,-2.8 -2,-0.5 238,-0.2 -0.916 8.6-140.1-109.2 119.5 56.1 64.2 13.7 24 43 A G E - b 0 60A 3 236,-3.3 2,-0.6 -2,-0.6 241,-0.2 -0.475 3.1-154.0 -73.8 142.6 54.8 65.1 17.1 25 44 A L E + b 0 61A 0 35,-2.4 37,-1.5 -2,-0.2 40,-0.1 -0.831 33.3 154.5-117.2 84.3 55.7 68.5 18.6 26 45 A D - 0 0 15 -2,-0.6 2,-1.7 35,-0.2 37,-0.1 -0.856 27.3-164.1-118.9 93.5 55.4 67.7 22.3 27 46 A P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 5,-0.1 -0.563 12.5-169.0 -80.7 83.7 57.5 70.0 24.5 28 47 A H > - 0 0 42 -2,-1.7 3,-2.0 1,-0.1 4,-0.4 -0.569 27.4-128.4 -70.0 133.2 57.5 68.1 27.7 29 48 A I G > S+ 0 0 101 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.862 108.7 60.7 -48.6 -42.6 58.9 70.3 30.5 30 49 A A G 3 S+ 0 0 84 1,-0.3 -1,-0.3 6,-0.0 4,-0.1 0.703 104.0 49.2 -60.7 -24.5 61.3 67.4 31.4 31 50 A D G < S+ 0 0 34 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.401 97.0 86.4 -96.4 -1.0 62.9 67.5 27.9 32 51 A L S < S- 0 0 12 -3,-1.6 4,-0.2 -4,-0.4 2,-0.1 -0.715 91.0 -91.9-100.8 154.1 63.5 71.3 27.8 33 52 A P - 0 0 80 0, 0.0 4,-0.1 0, 0.0 7,-0.1 -0.408 67.5 -73.2 -63.8 135.4 66.5 73.2 29.2 34 53 A S S S+ 0 0 104 1,-0.2 2,-0.0 -2,-0.1 3,-0.0 -0.505 119.3 38.1 -77.9 140.2 65.9 74.2 32.8 35 54 A P S S- 0 0 99 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.472 93.4-141.9 -85.2 133.2 64.2 76.4 33.7 36 55 A A + 0 0 32 -4,-0.2 2,-0.3 -7,-0.1 -2,-0.1 -0.181 27.1 169.9 -59.6 145.4 61.6 75.5 31.2 37 56 A T > - 0 0 55 -4,-0.1 4,-1.7 1,-0.1 5,-0.1 -0.926 49.2-104.9-148.1 168.6 59.6 78.4 29.5 38 57 A A H > S+ 0 0 12 -2,-0.3 4,-1.7 2,-0.2 5,-0.1 0.835 122.1 54.5 -67.8 -31.7 57.2 78.9 26.6 39 58 A E H > S+ 0 0 100 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.938 107.0 48.8 -67.6 -46.4 60.0 80.4 24.7 40 59 A R H > S+ 0 0 95 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.852 107.7 56.2 -61.6 -33.5 62.2 77.4 25.2 41 60 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.890 106.9 50.8 -63.2 -39.9 59.2 75.2 24.1 42 61 A F H X S+ 0 0 19 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.964 110.2 47.2 -61.0 -53.5 59.2 77.2 20.8 43 62 A V H X S+ 0 0 69 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.887 110.1 55.0 -55.4 -42.2 62.9 76.7 20.2 44 63 A F H X S+ 0 0 30 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.939 112.0 42.1 -57.0 -49.3 62.5 73.0 20.9 45 64 A C H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.799 111.9 56.5 -70.0 -29.1 59.7 72.7 18.3 46 65 A E H X S+ 0 0 69 -4,-2.3 4,-3.3 2,-0.2 5,-0.2 0.961 106.0 47.7 -65.8 -54.6 61.6 74.9 15.8 47 66 A R H X S+ 0 0 115 -4,-2.5 4,-2.0 1,-0.2 5,-0.2 0.901 111.9 52.6 -55.1 -41.6 64.7 72.8 15.8 48 67 A I H X S+ 0 0 5 -4,-1.6 4,-2.4 -5,-0.2 5,-0.2 0.927 113.1 42.4 -61.1 -48.5 62.5 69.7 15.3 49 68 A I H X S+ 0 0 4 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.936 112.5 54.4 -63.3 -46.9 60.7 71.1 12.3 50 69 A R H < S+ 0 0 156 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.849 118.0 35.3 -56.9 -35.1 63.9 72.5 10.9 51 70 A E H < S+ 0 0 52 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.782 122.4 38.3 -95.1 -27.5 65.6 69.1 11.0 52 71 A T H >X S+ 0 0 0 -4,-2.4 3,-2.0 -5,-0.2 4,-0.9 0.510 84.7 101.2-101.7 -5.0 62.8 66.6 10.2 53 72 A L G >< S+ 0 0 37 -4,-1.6 3,-1.3 1,-0.3 -1,-0.1 0.888 75.7 57.3 -49.9 -49.5 61.0 68.6 7.6 54 73 A P G 34 S+ 0 0 79 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.699 115.7 36.7 -60.6 -15.7 62.4 66.7 4.6 55 74 A F G <4 S+ 0 0 48 -3,-2.0 -34,-0.4 -4,-0.1 2,-0.3 0.436 100.5 93.9-111.8 -1.6 61.1 63.4 5.9 56 75 A T << - 0 0 0 -3,-1.3 -34,-0.2 -4,-0.9 3,-0.1 -0.742 41.9-178.7-102.7 138.0 57.8 64.5 7.4 57 76 A C S S+ 0 0 0 -36,-2.6 2,-0.3 -2,-0.3 -35,-0.2 0.513 78.2 13.0-104.5 -10.0 54.4 64.6 5.8 58 77 A C E -b 22 0A 0 -37,-0.8 -35,-2.4 30,-0.2 2,-0.5 -0.953 63.6-138.8-167.0 140.4 52.5 66.1 8.7 59 78 A Y E -bc 23 90A 0 30,-2.4 32,-2.5 -2,-0.3 -35,-0.2 -0.920 13.7-165.4-110.3 130.8 53.3 67.9 12.0 60 79 A K E -b 24 0A 10 -37,-2.8 -35,-2.4 -2,-0.5 2,-0.3 -0.808 4.8-173.4-118.5 90.6 51.3 67.0 15.1 61 80 A P E -b 25 0A 0 0, 0.0 32,-2.4 0, 0.0 2,-0.6 -0.663 20.6-136.1 -80.3 138.2 51.7 69.5 18.0 62 81 A N B >> -d 93 0B 30 -37,-1.5 3,-0.8 -2,-0.3 4,-0.7 -0.867 5.9-151.1 -97.7 121.0 50.0 68.4 21.2 63 82 A S H >> S+ 0 0 3 30,-1.6 4,-3.0 -2,-0.6 3,-0.6 0.800 86.7 68.5 -58.8 -37.6 48.1 71.3 22.8 64 83 A A H 3> S+ 0 0 54 29,-0.5 4,-1.4 1,-0.2 -1,-0.2 0.882 97.4 52.2 -52.1 -44.0 48.4 70.1 26.4 65 84 A F H <4 S+ 0 0 48 -3,-0.8 -1,-0.2 1,-0.2 4,-0.2 0.822 113.9 43.1 -66.9 -30.6 52.2 70.7 26.5 66 85 A F H X< S+ 0 0 0 -4,-0.7 3,-1.8 -3,-0.6 -2,-0.2 0.891 109.9 56.5 -77.8 -40.1 51.7 74.2 25.3 67 86 A E H >< S+ 0 0 76 -4,-3.0 3,-1.6 1,-0.3 -2,-0.2 0.748 92.5 72.9 -62.0 -23.8 48.8 74.8 27.6 68 87 A A T 3< S+ 0 0 65 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.723 95.5 50.6 -64.1 -23.4 51.1 73.8 30.5 69 88 A F T < S- 0 0 38 -3,-1.8 -1,-0.3 1,-0.3 4,-0.3 0.334 106.8-133.7 -97.0 7.0 52.8 77.2 30.1 70 89 A G X> - 0 0 25 -3,-1.6 4,-1.4 1,-0.2 3,-0.8 -0.429 64.9 -17.7 78.0-154.0 49.6 79.2 30.2 71 90 A P H 3> S+ 0 0 102 0, 0.0 4,-2.3 0, 0.0 3,-0.5 0.912 138.2 56.0 -56.2 -43.5 49.0 82.0 27.7 72 91 A P H 3> S+ 0 0 66 0, 0.0 4,-1.6 0, 0.0 -2,-0.2 0.809 103.9 57.6 -59.1 -25.1 52.7 82.3 26.8 73 92 A G H <> S+ 0 0 0 -3,-0.8 4,-2.1 -4,-0.3 -6,-0.2 0.895 108.6 42.9 -70.8 -38.1 52.4 78.6 25.9 74 93 A L H X S+ 0 0 49 -4,-1.4 4,-2.8 -3,-0.5 -1,-0.2 0.822 108.5 58.8 -75.8 -29.0 49.6 79.2 23.5 75 94 A Q H X S+ 0 0 126 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.890 109.0 46.5 -64.1 -36.9 51.5 82.2 22.2 76 95 A A H X S+ 0 0 2 -4,-1.6 4,-2.6 -5,-0.2 -2,-0.2 0.914 109.0 54.1 -71.8 -42.3 54.2 79.7 21.4 77 96 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.934 107.3 50.2 -56.3 -49.2 51.8 77.2 19.8 78 97 A E H X S+ 0 0 88 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.934 112.6 47.4 -55.1 -47.4 50.5 79.9 17.4 79 98 A R H X S+ 0 0 104 -4,-1.7 4,-0.7 2,-0.2 -1,-0.2 0.832 110.6 52.2 -64.6 -34.9 54.1 80.7 16.5 80 99 A V H >X S+ 0 0 0 -4,-2.6 3,-0.8 2,-0.2 4,-0.8 0.939 110.5 47.0 -66.4 -46.4 55.0 77.0 16.0 81 100 A C H >< S+ 0 0 5 -4,-2.8 3,-0.9 1,-0.2 -2,-0.2 0.912 109.5 53.9 -61.5 -40.9 52.0 76.5 13.7 82 101 A A H 3< S+ 0 0 85 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.685 102.0 61.9 -66.5 -16.7 52.9 79.6 11.7 83 102 A L H << S+ 0 0 71 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.741 82.9 93.4 -81.1 -25.3 56.4 78.2 11.2 84 103 A I S << S- 0 0 9 -3,-0.9 6,-0.1 -4,-0.8 4,-0.0 -0.504 83.7-106.8 -75.2 132.7 55.3 75.1 9.3 85 104 A P > - 0 0 40 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.033 22.1-113.2 -59.3 162.2 55.3 75.3 5.5 86 105 A D T 3 S+ 0 0 126 1,-0.3 -2,-0.1 3,-0.0 -77,-0.0 0.620 114.3 56.8 -69.2 -16.8 52.1 75.6 3.3 87 106 A D T 3 S+ 0 0 87 1,-0.1 -1,-0.3 -83,-0.1 -74,-0.1 0.327 95.5 75.1 -99.5 9.4 52.7 72.2 1.8 88 107 A V S < S- 0 0 0 -3,-1.4 -30,-0.2 -75,-0.0 -1,-0.1 -0.952 80.6-127.5-126.3 113.2 52.8 70.3 5.1 89 108 A P - 0 0 0 0, 0.0 -30,-2.4 0, 0.0 2,-0.6 -0.234 13.3-144.5 -60.1 144.0 49.5 69.7 7.1 90 109 A I B -c 59 0A 5 -32,-0.2 27,-2.2 25,-0.1 28,-2.1 -0.953 11.2-166.4-112.2 111.5 49.3 70.7 10.7 91 110 A L E -e 118 0C 0 -32,-2.5 2,-0.7 -2,-0.6 28,-0.2 -0.879 11.1-150.0-102.3 107.5 47.3 68.3 12.8 92 111 A L E -e 119 0C 6 26,-2.6 28,-1.9 -2,-0.7 2,-1.3 -0.695 3.9-152.9 -81.6 113.1 46.4 69.9 16.2 93 112 A D E +d 62 0B 8 -32,-2.4 -30,-1.6 -2,-0.7 -29,-0.5 -0.702 48.0 130.3 -88.6 90.6 46.2 67.2 18.8 94 113 A A E - 0 0 12 -2,-1.3 -1,-0.2 26,-0.3 27,-0.1 0.482 54.2-144.7-117.5 -9.4 43.8 68.8 21.3 95 114 A K E - 0 0 84 -3,-0.2 26,-0.3 1,-0.2 2,-0.2 0.871 32.4-178.4 38.5 55.4 41.2 66.0 21.7 96 115 A R E +e 121 0C 57 24,-1.8 26,-2.4 10,-0.0 2,-0.2 -0.566 11.7 169.6 -83.0 144.1 38.4 68.5 22.0 97 116 A G + 0 0 30 -2,-0.2 2,-0.3 24,-0.2 33,-0.1 -0.692 15.8 121.7-161.9 103.3 34.9 67.3 22.6 98 117 A D - 0 0 46 31,-0.3 27,-0.0 -2,-0.2 -2,-0.0 -0.889 57.2 -65.6-150.8 177.8 31.9 69.4 23.6 99 118 A I > - 0 0 80 -2,-0.3 4,-3.7 3,-0.1 5,-0.3 -0.191 60.1 -86.7 -67.7 163.7 28.3 70.4 22.5 100 119 A G H > S+ 0 0 28 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.818 122.5 42.7 -33.5 -74.6 27.4 72.3 19.3 101 120 A S H > S+ 0 0 105 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.909 123.8 40.1 -43.5 -53.3 27.7 76.0 20.4 102 121 A T H > S+ 0 0 53 1,-0.2 4,-1.6 2,-0.2 3,-0.4 0.838 111.1 55.1 -69.5 -39.6 30.9 75.2 22.4 103 122 A A H X S+ 0 0 0 -4,-3.7 4,-2.2 1,-0.2 -1,-0.2 0.788 101.2 61.6 -65.8 -25.7 32.5 72.9 19.8 104 123 A Q H X S+ 0 0 94 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.866 104.2 48.4 -67.7 -35.1 32.0 75.7 17.2 105 124 A A H X S+ 0 0 57 -4,-0.8 4,-2.2 -3,-0.4 -2,-0.2 0.837 110.1 50.0 -72.9 -36.6 34.3 77.8 19.4 106 125 A Y H X S+ 0 0 87 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.881 111.8 50.6 -67.7 -36.5 37.0 75.0 19.7 107 126 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.4 0.957 110.9 46.4 -64.2 -49.5 36.8 74.6 15.9 108 127 A S H X>S+ 0 0 36 -4,-2.3 5,-1.9 2,-0.2 4,-1.9 0.895 111.3 54.0 -60.2 -41.0 37.3 78.3 15.4 109 128 A S H <>S+ 0 0 45 -4,-2.2 5,-2.9 3,-0.2 6,-0.4 0.975 112.8 42.1 -56.1 -55.0 40.1 78.2 17.9 110 129 A A H <5S+ 0 0 4 -4,-2.6 6,-2.9 3,-0.2 -2,-0.2 0.868 130.7 23.9 -60.8 -40.5 41.9 75.5 16.0 111 130 A F H <5S+ 0 0 10 -4,-2.7 -3,-0.2 4,-0.2 -2,-0.2 0.891 128.7 34.6 -97.7 -49.9 41.3 76.9 12.5 112 131 A D T <5S+ 0 0 93 -4,-1.9 -3,-0.2 -5,-0.4 -2,-0.1 0.918 131.6 26.4 -74.4 -45.3 40.7 80.6 12.6 113 132 A A T + 0 0 9 -2,-0.5 3,-2.9 21,-0.4 6,-0.1 0.139 48.3 118.7-102.7 17.5 33.1 61.9 20.3 124 143 A Y T 3 S+ 0 0 205 1,-0.3 -1,-0.2 5,-0.1 3,-0.1 0.859 81.3 52.8 -49.4 -33.6 31.9 60.5 23.6 125 144 A M T 3 S- 0 0 90 -3,-0.4 3,-0.4 1,-0.3 -1,-0.3 0.300 117.2-116.7 -87.4 9.1 29.1 63.1 23.3 126 145 A G X - 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0 0 10 -2,-0.2 134,-0.2 1,-0.2 196,-0.1 -0.570 38.8-107.5-130.2-164.2 26.3 17.1 -9.5 299 25 B F S > S+ 0 0 0 132,-1.7 4,-2.2 195,-0.7 196,-0.2 0.895 100.1 27.4 -94.9 -72.4 27.4 20.3 -7.7 300 26 B F H > S+ 0 0 2 194,-2.6 4,-2.5 2,-0.2 195,-0.1 0.804 123.2 43.2 -68.1 -38.1 29.4 22.7 -9.9 301 27 B K H > S+ 0 0 100 2,-0.2 4,-1.7 193,-0.2 -1,-0.2 0.907 118.2 46.6 -74.5 -40.0 28.0 22.0 -13.4 302 28 B T H > S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.905 114.2 51.1 -63.1 -40.3 24.5 21.8 -12.1 303 29 B L H X S+ 0 0 0 -4,-2.2 4,-3.4 2,-0.2 5,-0.2 0.945 106.4 51.4 -61.9 -52.3 25.3 25.0 -10.2 304 30 B D H X S+ 0 0 56 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.845 113.4 45.9 -57.4 -35.2 26.6 26.9 -13.2 305 31 B A H X S+ 0 0 60 -4,-1.7 4,-2.9 2,-0.2 -1,-0.2 0.885 113.3 48.6 -74.7 -38.3 23.5 26.0 -15.2 306 32 B R H X S+ 0 0 27 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.928 111.0 52.0 -66.1 -44.6 21.2 27.0 -12.2 307 33 B I H X>S+ 0 0 0 -4,-3.4 5,-1.0 1,-0.2 4,-0.9 0.895 115.6 39.7 -57.6 -45.0 23.1 30.3 -11.9 308 34 B E H <5S+ 0 0 129 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.888 114.6 54.3 -75.5 -36.4 22.7 31.1 -15.5 309 35 B A H <5S+ 0 0 80 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.966 126.1 19.6 -61.2 -55.3 19.1 29.8 -15.7 310 36 B V H <5S- 0 0 30 -4,-2.7 -1,-0.2 2,-0.1 -2,-0.2 0.378 102.2-125.1 -97.8 1.2 17.7 31.9 -12.8 311 37 B D T <5 + 0 0 66 -4,-0.9 2,-0.3 -5,-0.3 -3,-0.2 0.965 64.5 119.7 54.1 66.7 20.5 34.6 -12.8 312 38 B S < - 0 0 0 -5,-1.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.993 51.4-170.1-160.0 148.6 21.5 34.3 -9.1 313 39 B L + 0 0 0 -2,-0.3 237,-2.3 257,-0.2 2,-0.3 0.169 55.5 130.2-116.1 6.8 24.4 33.5 -6.7 314 40 B L E -k 550 0E 0 34,-0.4 36,-2.7 235,-0.2 37,-1.0 -0.483 39.9-166.7 -71.1 126.3 22.0 33.5 -3.8 315 41 B T E -kl 551 351E 0 235,-3.1 237,-1.8 -2,-0.3 2,-0.6 -0.943 12.6-144.3-110.3 133.6 22.3 30.5 -1.6 316 42 B V E -kl 552 352E 1 35,-2.6 37,-3.0 -2,-0.5 237,-0.2 -0.905 8.0-139.5-108.5 121.1 19.4 30.1 0.8 317 43 B G E - l 0 353E 2 235,-3.3 2,-0.6 -2,-0.6 240,-0.2 -0.478 3.8-155.4 -75.1 141.2 20.1 28.7 4.3 318 44 B L E + l 0 354E 0 35,-2.2 37,-1.5 -2,-0.2 40,-0.1 -0.820 33.0 154.2-116.8 83.9 17.6 26.2 5.8 319 45 B D - 0 0 16 -2,-0.6 2,-1.9 35,-0.2 37,-0.1 -0.833 27.5-164.1-118.3 91.5 18.3 26.7 9.5 320 46 B P - 0 0 1 0, 0.0 2,-0.2 0, 0.0 5,-0.1 -0.513 12.8-168.9 -79.1 81.8 15.2 25.9 11.6 321 47 B H > - 0 0 45 -2,-1.9 3,-1.5 1,-0.1 4,-0.4 -0.521 27.0-128.1 -68.0 135.8 16.2 27.5 14.9 322 48 B I G > S+ 0 0 99 1,-0.3 3,-1.6 -2,-0.2 -1,-0.1 0.869 108.5 59.9 -51.3 -43.2 13.9 26.4 17.7 323 49 B A G 3 S+ 0 0 86 1,-0.3 -1,-0.3 6,-0.0 4,-0.1 0.748 104.6 49.8 -58.7 -27.7 13.2 30.1 18.6 324 50 B D G < S+ 0 0 34 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.436 97.0 86.2 -92.9 -1.7 11.8 30.7 15.1 325 51 B L S < S- 0 0 13 -3,-1.6 4,-0.2 -4,-0.4 2,-0.1 -0.699 91.6 -91.5-101.5 153.5 9.5 27.8 15.0 326 52 B P - 0 0 78 0, 0.0 4,-0.1 0, 0.0 7,-0.1 -0.419 67.7 -75.2 -63.6 132.2 5.9 27.7 16.4 327 53 B S S S+ 0 0 108 1,-0.2 2,-0.0 -2,-0.1 3,-0.0 -0.460 118.5 38.6 -74.3 140.9 5.9 26.5 20.0 328 54 B P S S- 0 0 99 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.502 94.4-141.7 -84.6 131.8 6.3 23.8 21.0 329 55 B A + 0 0 29 -4,-0.2 2,-0.3 -7,-0.1 -2,-0.1 -0.178 27.1 170.2 -60.3 145.0 9.0 23.1 18.4 330 56 B T > - 0 0 53 -4,-0.1 4,-1.6 1,-0.1 5,-0.1 -0.907 48.6-105.2-145.9 172.3 9.2 19.7 16.7 331 57 B A H > S+ 0 0 12 -2,-0.3 4,-2.1 2,-0.2 5,-0.1 0.856 121.9 55.0 -70.9 -34.6 11.0 18.1 13.9 332 58 B E H > S+ 0 0 101 1,-0.2 4,-2.2 2,-0.2 3,-0.2 0.968 107.4 48.5 -62.7 -50.9 7.8 18.1 11.9 333 59 B R H > S+ 0 0 96 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.840 108.0 56.0 -57.1 -34.0 7.5 21.9 12.4 334 60 B A H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.926 107.1 49.9 -63.4 -42.9 11.2 22.2 11.3 335 61 B F H X S+ 0 0 19 -4,-2.1 4,-2.2 -3,-0.2 -2,-0.2 0.944 110.6 48.2 -58.1 -52.4 10.3 20.4 8.1 336 62 B V H X S+ 0 0 68 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.890 109.6 53.8 -57.2 -43.3 7.3 22.7 7.4 337 63 B F H X S+ 0 0 29 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.931 112.5 42.9 -56.1 -48.6 9.4 25.8 8.1 338 64 B C H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.824 111.6 56.1 -69.8 -31.5 12.0 24.6 5.5 339 65 B E H X S+ 0 0 68 -4,-2.2 4,-3.2 2,-0.2 5,-0.2 0.939 106.7 47.6 -64.8 -51.5 9.3 23.6 3.0 340 66 B R H X S+ 0 0 115 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.879 112.0 51.7 -59.3 -39.5 7.7 27.0 3.0 341 67 B I H X S+ 0 0 5 -4,-1.5 4,-2.4 -5,-0.2 5,-0.2 0.931 113.1 43.7 -62.8 -47.9 11.1 28.6 2.5 342 68 B I H X S+ 0 0 5 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.923 112.2 53.5 -63.8 -44.4 11.9 26.4 -0.5 343 69 B R H < S+ 0 0 154 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.868 118.2 35.8 -59.8 -35.8 8.5 26.8 -2.0 344 70 B E H < S+ 0 0 54 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.779 122.1 38.5 -93.8 -26.1 8.8 30.6 -1.9 345 71 B T H >X S+ 0 0 0 -4,-2.4 3,-2.2 -5,-0.2 4,-0.8 0.516 84.9 100.5-101.1 -5.2 12.5 31.4 -2.6 346 72 B L G >< S+ 0 0 37 -4,-1.4 3,-1.4 1,-0.3 -1,-0.1 0.883 76.2 56.9 -50.3 -49.9 13.0 28.7 -5.3 347 73 B P G 34 S+ 0 0 81 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.664 116.3 36.9 -61.2 -11.9 12.7 31.0 -8.3 348 74 B F G <4 S+ 0 0 47 -3,-2.2 -34,-0.4 -35,-0.0 2,-0.3 0.433 99.9 93.0-116.0 0.3 15.5 33.2 -6.9 349 75 B T << - 0 0 0 -3,-1.4 -34,-0.2 -4,-0.8 3,-0.1 -0.752 41.4-178.4-104.1 138.9 17.8 30.6 -5.4 350 76 B C S S+ 0 0 0 -36,-2.7 2,-0.3 -2,-0.3 -35,-0.2 0.567 78.7 13.9-104.9 -13.0 20.8 28.8 -7.1 351 77 B C E -l 315 0E 0 -37,-1.0 -35,-2.6 30,-0.2 2,-0.4 -0.968 64.1-140.7-162.8 139.7 21.6 26.6 -4.1 352 78 B Y E -lm 316 383E 0 30,-2.3 32,-2.7 -2,-0.3 -35,-0.2 -0.919 13.8-165.4-108.1 134.1 20.0 25.5 -0.8 353 79 B K E -l 317 0E 11 -37,-3.0 -35,-2.2 -2,-0.4 2,-0.3 -0.801 4.4-173.3-123.0 88.5 22.1 25.2 2.3 354 80 B P E -l 318 0E 0 0, 0.0 32,-2.6 0, 0.0 2,-0.6 -0.605 20.9-135.2 -77.4 141.3 20.6 23.3 5.2 355 81 B N B >> -n 386 0F 28 -37,-1.5 4,-0.7 -2,-0.3 3,-0.6 -0.893 6.2-150.8-100.8 121.5 22.6 23.4 8.4 356 82 B S H >> S+ 0 0 3 30,-1.9 4,-2.9 -2,-0.6 3,-1.0 0.839 87.3 67.1 -58.0 -42.6 22.8 19.9 10.0 357 83 B A H 3> S+ 0 0 52 29,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.882 97.5 53.0 -46.6 -48.4 23.1 21.2 13.7 358 84 B F H <4 S+ 0 0 49 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.806 114.2 42.8 -64.5 -27.5 19.5 22.6 13.7 359 85 B F H X< S+ 0 0 0 -3,-1.0 3,-1.5 -4,-0.7 -1,-0.2 0.848 109.8 56.1 -83.4 -36.3 18.1 19.3 12.6 360 86 B E H >< S+ 0 0 77 -4,-2.9 3,-1.9 1,-0.3 -2,-0.2 0.781 92.4 73.5 -64.9 -25.7 20.4 17.3 14.9 361 87 B A T 3< S+ 0 0 66 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.709 95.3 50.9 -60.6 -23.5 18.9 19.4 17.8 362 88 B F T < S- 0 0 42 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.362 107.2-133.1 -97.6 6.1 15.7 17.3 17.4 363 89 B G X> - 0 0 24 -3,-1.9 3,-1.4 1,-0.2 4,-1.3 -0.396 64.7 -18.4 76.2-156.8 17.4 14.0 17.5 364 90 B P H >> S+ 0 0 103 0, 0.0 4,-2.1 0, 0.0 3,-0.6 0.891 137.5 57.1 -54.5 -41.9 16.6 11.2 15.1 365 91 B P H 3> S+ 0 0 62 0, 0.0 4,-1.6 0, 0.0 -2,-0.2 0.812 103.4 57.3 -59.3 -24.6 13.3 12.8 14.1 366 92 B G H <> S+ 0 0 0 -3,-1.4 4,-1.9 2,-0.2 -6,-0.2 0.871 108.5 43.3 -71.3 -35.9 15.4 15.9 13.2 367 93 B L H X S+ 0 0 0 -4,-2.5 3,-0.8 2,-0.2 4,-0.7 0.933 110.7 48.3 -67.5 -46.0 13.9 18.5 3.3 374 100 B C H >< S+ 0 0 5 -4,-2.8 3,-0.7 1,-0.2 -2,-0.2 0.872 109.5 53.4 -62.4 -35.2 16.8 17.4 1.0 375 101 B A H 3< S+ 0 0 85 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.677 101.8 62.1 -72.8 -15.2 14.5 15.2 -1.0 376 102 B L H << S+ 0 0 69 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.727 83.1 93.2 -82.6 -22.5 12.2 18.1 -1.5 377 103 B I S << S- 0 0 8 -3,-0.7 6,-0.1 -4,-0.7 4,-0.0 -0.551 83.6-106.6 -78.3 131.9 14.7 20.2 -3.4 378 104 B P > - 0 0 39 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.012 21.8-113.3 -57.3 163.7 14.6 20.0 -7.3 379 105 B D T 3 S+ 0 0 135 1,-0.2 -2,-0.1 3,-0.0 -77,-0.0 0.614 114.3 55.8 -71.1 -17.3 17.1 18.1 -9.4 380 106 B D T 3 S+ 0 0 85 1,-0.1 -1,-0.2 -83,-0.1 -74,-0.1 0.335 96.1 75.9 -99.4 8.7 18.4 21.3 -11.0 381 107 B V S < S- 0 0 0 -3,-1.2 -30,-0.2 -75,-0.1 -78,-0.1 -0.958 80.4-127.0-124.9 114.7 19.3 23.0 -7.7 382 108 B P - 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