==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 07-DEC-05 2FA8 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN ATU0228; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR.; . AUTHOR Y.KIM,A.JOACHIMIAK,X.XU,H.ZHENG,A.SAVCHENKO,A.EDWARDS,MIDWES . 335 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15347.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 16.7 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 . 4 1.2 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 . 21 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.4 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 0 0 0 0 0 0 1 3 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 4 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 2 4 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 4 A T 0 0 191 0, 0.0 34,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 99.1 11.0 22.1 34.5 2 5 A K - 0 0 114 1,-0.1 32,-0.2 32,-0.1 31,-0.1 -0.542 360.0 -94.4 -82.6 142.9 10.2 22.3 38.2 3 6 A P - 0 0 25 0, 0.0 32,-3.0 0, 0.0 33,-0.9 -0.140 34.0-139.2 -54.8 147.9 6.9 23.8 39.4 4 7 A R E -a 36 0A 141 31,-0.2 48,-3.3 30,-0.2 2,-0.4 -0.933 12.0-157.1-116.1 132.8 6.7 27.4 40.3 5 8 A I E -aB 37 51A 1 31,-2.6 33,-2.9 -2,-0.4 2,-0.4 -0.907 5.8-166.8-111.4 136.5 4.7 28.6 43.2 6 9 A A E -aB 38 50A 12 44,-2.1 44,-2.2 -2,-0.4 2,-0.5 -0.979 8.2-163.9-122.5 139.0 3.3 32.2 43.7 7 10 A I E -aB 39 49A 0 31,-3.3 33,-2.8 -2,-0.4 2,-0.5 -0.958 7.4-167.4-119.8 108.8 1.9 33.8 46.8 8 11 A R E +aB 40 48A 85 40,-3.0 40,-2.3 -2,-0.5 2,-0.3 -0.866 18.5 174.0 -93.6 124.4 -0.1 37.0 46.1 9 12 A Y E -aB 41 47A 1 31,-1.8 33,-2.6 -2,-0.5 2,-0.5 -0.987 37.2-107.5-139.3 146.8 -0.8 38.8 49.3 10 13 A a E > -a 42 0A 4 36,-1.1 5,-1.7 -2,-0.3 33,-0.2 -0.585 24.8-161.5 -75.3 119.4 -2.3 42.2 50.3 11 14 A T T > 5S+ 0 0 23 31,-2.5 3,-1.7 -2,-0.5 5,-0.3 0.939 88.4 47.2 -72.2 -45.2 0.5 44.5 51.4 12 15 A Q T 3 5S+ 0 0 164 30,-0.4 -1,-0.2 1,-0.3 31,-0.1 0.707 102.8 63.4 -73.6 -19.5 -1.7 47.0 53.3 13 16 A a T 3 5S- 0 0 51 1,-0.0 -1,-0.3 3,-0.0 -2,-0.2 0.434 114.1-120.6 -74.2 -0.4 -3.5 44.2 55.1 14 17 A N T < 5 + 0 0 97 -3,-1.7 4,-0.3 1,-0.1 3,-0.3 0.910 68.4 140.2 58.9 44.3 -0.1 43.4 56.6 15 18 A W >< + 0 0 28 -5,-1.7 4,-2.0 1,-0.2 5,-0.2 0.359 36.8 98.2 -97.6 6.1 -0.0 39.9 55.2 16 19 A L H > S+ 0 0 19 -5,-0.3 4,-2.9 -6,-0.2 5,-0.2 0.899 80.5 54.3 -55.7 -42.7 3.7 40.0 54.3 17 20 A L H > S+ 0 0 3 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.941 112.3 41.0 -61.0 -49.2 4.7 38.1 57.5 18 21 A R H > S+ 0 0 16 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.836 114.6 53.1 -69.3 -33.4 2.4 35.1 56.9 19 22 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.940 111.8 45.2 -66.2 -47.0 3.2 35.1 53.1 20 23 A G H X S+ 0 0 3 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.872 112.7 51.4 -60.1 -42.2 7.0 34.9 53.9 21 24 A W H X S+ 0 0 12 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.934 110.8 48.3 -61.3 -45.9 6.5 32.2 56.6 22 25 A X H X S+ 0 0 3 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.900 108.4 53.8 -64.8 -41.8 4.4 30.2 54.1 23 26 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.909 112.1 45.5 -53.6 -44.6 7.1 30.6 51.4 24 27 A Q H X S+ 0 0 10 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.840 110.4 52.1 -72.1 -35.9 9.7 29.2 53.9 25 28 A E H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.938 112.8 47.0 -61.3 -46.0 7.5 26.3 55.1 26 29 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.940 113.8 46.7 -60.2 -49.7 7.0 25.4 51.4 27 30 A L H X S+ 0 0 1 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.820 108.8 55.2 -66.0 -31.5 10.8 25.6 50.6 28 31 A Q H < S+ 0 0 59 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.881 118.1 33.9 -67.1 -38.9 11.7 23.7 53.7 29 32 A T H < S+ 0 0 27 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.837 131.3 29.5 -84.0 -36.4 9.5 20.7 52.7 30 33 A F H >X S+ 0 0 0 -4,-2.8 3,-1.9 -5,-0.2 4,-1.2 0.018 73.8 135.7-119.0 23.5 9.9 20.9 48.9 31 34 A A G >< S+ 0 0 17 -4,-0.7 3,-0.5 1,-0.3 -1,-0.1 0.864 79.6 35.7 -42.0 -53.9 13.4 22.3 48.4 32 35 A S G 34 S+ 0 0 80 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.522 117.1 54.4 -84.5 -3.2 14.5 20.0 45.7 33 36 A D G <4 S+ 0 0 62 -3,-1.9 2,-0.4 -6,-0.1 -1,-0.2 0.496 96.4 64.7-112.2 -8.6 11.2 19.7 43.9 34 37 A I << - 0 0 3 -4,-1.2 -30,-0.2 -3,-0.5 3,-0.1 -0.920 62.2-147.2-123.3 149.5 10.1 23.2 43.2 35 38 A G S S- 0 0 22 -32,-3.0 2,-0.3 -2,-0.4 -31,-0.2 0.895 73.6 -34.6 -78.0 -43.3 11.7 25.8 40.9 36 39 A E E -a 4 0A 22 -33,-0.9 -31,-2.6 91,-0.2 2,-0.4 -0.983 41.7-128.9-167.6 164.8 10.8 28.9 43.0 37 40 A V E -aC 5 126A 0 89,-2.0 89,-3.0 -2,-0.3 2,-0.5 -0.996 28.2-156.3-123.1 124.1 8.4 30.5 45.3 38 41 A S E -aC 6 125A 4 -33,-2.9 -31,-3.3 -2,-0.4 2,-0.6 -0.876 6.4-152.6-104.6 129.2 7.4 34.1 44.3 39 42 A L E -aC 7 124A 1 85,-3.3 85,-1.9 -2,-0.5 -31,-0.2 -0.908 17.6-170.0 -99.2 118.9 6.1 36.7 46.8 40 43 A I E -a 8 0A 24 -33,-2.8 -31,-1.8 -2,-0.6 83,-0.2 -0.897 17.6-136.2-120.9 104.1 3.9 39.1 44.9 41 44 A P E +a 9 0A 22 0, 0.0 2,-0.2 0, 0.0 -31,-0.2 -0.324 36.7 169.2 -59.7 134.8 2.7 42.2 46.6 42 45 A S E -a 10 0A 16 -33,-2.6 -31,-2.5 4,-0.1 -30,-0.4 -0.749 21.4-131.3-138.7-179.5 -0.9 42.8 45.9 43 46 A T > + 0 0 116 -2,-0.2 3,-1.2 -33,-0.2 -33,-0.1 -0.778 66.6 44.1-132.7 174.2 -3.8 44.9 47.0 44 47 A G T 3 S- 0 0 79 -2,-0.2 -1,-0.1 1,-0.2 -34,-0.0 0.832 120.3 -57.1 59.7 44.5 -7.4 44.8 48.0 45 48 A G T 3 S+ 0 0 11 1,-0.2 -1,-0.2 -3,-0.1 2,-0.2 0.608 85.8 159.8 68.2 13.5 -7.4 41.8 50.4 46 49 A L < + 0 0 49 -3,-1.2 -36,-1.1 -37,-0.1 2,-0.3 -0.510 11.6 166.8 -68.1 130.1 -6.1 39.4 47.9 47 50 A F E +B 9 0A 0 -2,-0.2 12,-2.6 -38,-0.2 2,-0.4 -0.831 15.8 153.4-139.9 108.6 -4.5 36.2 49.3 48 51 A E E -BD 8 58A 36 -40,-2.3 -40,-3.0 -2,-0.3 2,-0.5 -0.999 26.8-162.8-139.4 135.7 -3.9 33.6 46.7 49 52 A I E -BD 7 57A 0 8,-2.8 7,-2.5 -2,-0.4 8,-1.7 -0.982 15.8-177.3-121.5 126.2 -1.4 30.7 46.3 50 53 A T E -BD 6 55A 9 -44,-2.2 -44,-2.1 -2,-0.5 2,-0.5 -0.902 21.9-153.1-121.9 147.3 -0.9 29.1 42.9 51 54 A V E > S-BD 5 54A 4 3,-2.5 3,-2.1 -2,-0.3 -46,-0.2 -0.983 90.3 -26.4-118.2 115.1 1.2 26.2 41.6 52 55 A D T 3 S- 0 0 96 -48,-3.3 -47,-0.1 -2,-0.5 -1,-0.1 0.847 129.7 -47.4 42.7 44.6 2.0 26.8 37.9 53 56 A G T 3 S+ 0 0 63 -49,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.155 111.9 119.5 90.3 -20.1 -1.1 28.9 37.7 54 57 A T E < -D 51 0A 81 -3,-2.1 -3,-2.5 1,-0.0 2,-0.5 -0.728 65.7-126.8 -81.1 124.0 -3.5 26.4 39.4 55 58 A I E +D 50 0A 77 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.572 35.1 168.5 -73.0 117.6 -5.0 28.0 42.5 56 59 A I E S+ 0 0 11 -7,-2.5 2,-0.3 -2,-0.5 -6,-0.2 0.518 73.4 19.3-101.2 -14.0 -4.5 25.8 45.6 57 60 A W E +D 49 0A 9 -8,-1.7 -8,-2.8 17,-0.0 -1,-0.3 -0.948 56.5 169.1-156.1 137.8 -5.6 28.5 47.9 58 61 A E E > -D 48 0A 22 -2,-0.3 4,-3.4 -10,-0.2 5,-0.3 -0.936 33.7-131.9-150.0 126.1 -7.6 31.6 47.8 59 62 A R H >>S+ 0 0 75 -12,-2.6 5,-1.8 -2,-0.3 4,-1.0 0.803 102.5 41.4 -48.5 -48.4 -8.8 33.5 50.9 60 63 A K H >45S+ 0 0 140 2,-0.2 3,-0.6 3,-0.2 -1,-0.2 0.977 121.2 40.7 -69.0 -52.9 -12.5 34.0 49.9 61 64 A R H 345S+ 0 0 143 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.830 121.6 42.4 -60.6 -39.1 -13.1 30.5 48.4 62 65 A D H 3<5S- 0 0 34 -4,-3.4 -1,-0.2 2,-0.2 -2,-0.2 0.447 109.7-117.7 -97.7 -2.0 -11.1 28.7 51.1 63 66 A G T <<5S- 0 0 71 -4,-1.0 2,-0.4 -3,-0.6 -3,-0.2 0.784 71.7 -30.9 78.2 32.3 -12.4 30.6 54.1 64 67 A G S - 0 0 28 -2,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.522 36.2-104.9 -77.3 161.8 -2.3 25.9 58.2 68 71 A P H > S+ 0 0 11 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.918 117.6 52.2 -62.0 -42.0 1.2 24.4 57.3 69 72 A K H > S+ 0 0 93 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.953 112.6 43.9 -58.6 -49.8 -0.0 20.8 57.0 70 73 A E H > S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.819 113.4 51.9 -69.2 -31.6 -2.9 21.6 54.6 71 74 A L H X S+ 0 0 2 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.942 111.4 46.2 -62.9 -50.0 -0.7 23.9 52.5 72 75 A K H X S+ 0 0 34 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.882 112.4 51.7 -61.7 -40.1 2.0 21.2 52.2 73 76 A Q H X S+ 0 0 71 -4,-2.2 4,-2.9 -5,-0.2 -1,-0.2 0.899 108.8 49.5 -63.8 -45.4 -0.7 18.5 51.3 74 77 A R H X S+ 0 0 85 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.865 114.9 44.7 -65.6 -37.7 -2.3 20.6 48.6 75 78 A I H >X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 3,-0.7 0.940 114.0 49.5 -68.2 -48.4 1.1 21.3 47.0 76 79 A R H 3X S+ 0 0 33 -4,-3.0 4,-3.0 1,-0.2 -2,-0.2 0.923 104.0 59.9 -53.7 -48.1 2.1 17.6 47.4 77 80 A D H 3< S+ 0 0 89 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.812 114.6 36.9 -55.3 -29.5 -1.2 16.5 45.8 78 81 A L H << S+ 0 0 84 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.857 127.8 28.6 -88.6 -43.1 -0.2 18.5 42.6 79 82 A I H < S+ 0 0 40 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.698 139.3 6.1 -98.7 -20.0 3.6 18.0 42.3 80 83 A D >< + 0 0 52 -4,-3.0 3,-2.2 -5,-0.3 -1,-0.2 -0.374 62.0 173.2-162.0 64.2 4.2 14.6 43.9 81 84 A P T 3 S+ 0 0 86 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.769 78.1 60.0 -58.0 -25.6 0.9 12.8 44.8 82 85 A E T 3 S+ 0 0 185 -6,-0.1 2,-0.3 2,-0.1 -5,-0.1 0.588 80.3 108.3 -76.6 -12.2 2.7 9.6 45.8 83 86 A R < - 0 0 78 -3,-2.2 2,-0.5 -7,-0.2 -3,-0.1 -0.532 63.4-143.1 -76.0 126.0 4.8 11.2 48.5 84 87 A D - 0 0 138 -2,-0.3 -2,-0.1 1,-0.1 -1,-0.0 -0.783 11.9-170.4 -81.8 123.7 3.9 10.4 52.1 85 88 A L 0 0 42 -2,-0.5 -1,-0.1 -16,-0.0 -2,-0.0 0.432 360.0 360.0 -91.7 -1.5 4.3 13.6 54.3 86 89 A G 0 0 92 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.726 360.0 360.0 91.0 360.0 3.9 11.7 57.6 87 !* 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 88 4 B T 0 0 180 0, 0.0 34,-0.1 0, 0.0 32,-0.0 0.000 360.0 360.0 360.0 126.8 8.4 49.1 35.1 89 5 B K - 0 0 129 32,-0.1 32,-0.2 1,-0.1 31,-0.0 -0.478 360.0-124.8 -65.0 120.8 8.3 47.3 38.5 90 6 B P - 0 0 5 0, 0.0 32,-2.6 0, 0.0 33,-0.9 -0.289 5.7-130.8 -70.7 150.7 11.3 45.0 38.8 91 7 B R E -e 123 0A 154 31,-0.2 48,-3.1 30,-0.2 2,-0.4 -0.883 24.2-156.3 -91.7 125.8 11.3 41.2 39.5 92 8 B I E -eF 124 138A 1 31,-3.2 33,-2.8 -2,-0.5 2,-0.4 -0.865 7.3-166.2-103.6 138.4 13.8 40.4 42.2 93 9 B A E -eF 125 137A 14 44,-2.4 44,-2.3 -2,-0.4 2,-0.6 -0.985 9.0-166.3-124.6 133.0 15.4 36.9 42.5 94 10 B I E -eF 126 136A 0 31,-3.2 33,-2.9 -2,-0.4 2,-0.5 -0.960 7.1-167.0-115.5 110.0 17.3 35.5 45.5 95 11 B R E +eF 127 135A 84 40,-2.9 40,-2.3 -2,-0.6 2,-0.4 -0.861 17.4 174.1 -92.5 126.3 19.1 32.2 44.6 96 12 B Y E -eF 128 134A 1 31,-1.8 33,-2.8 -2,-0.5 2,-0.5 -0.992 37.2-106.4-140.6 142.3 20.3 30.5 47.8 97 13 B b E > -e 129 0A 4 36,-1.2 5,-1.3 -2,-0.4 3,-0.2 -0.548 24.9-158.5 -71.6 119.2 22.0 27.2 48.5 98 14 B T T > 5S+ 0 0 32 31,-2.5 3,-1.5 -2,-0.5 5,-0.3 0.944 89.7 46.7 -65.8 -46.1 19.4 24.8 50.1 99 15 B Q T 3 5S+ 0 0 170 30,-0.4 -1,-0.2 1,-0.3 31,-0.1 0.644 100.1 68.1 -79.4 -11.3 21.9 22.5 51.7 100 16 B b T 3 5S- 0 0 51 -3,-0.2 -1,-0.3 1,-0.0 -2,-0.2 0.437 111.4-115.7 -81.5 -0.8 24.0 25.3 53.2 101 17 B N T < 5S+ 0 0 57 -3,-1.5 4,-0.3 -4,-0.1 3,-0.2 0.910 74.7 134.8 67.9 39.1 21.1 26.3 55.5 102 18 B W >< + 0 0 32 -5,-1.3 4,-1.9 -4,-0.2 5,-0.2 0.328 37.2 94.6-104.3 7.4 20.7 29.6 53.7 103 19 B L H > S+ 0 0 19 -5,-0.3 4,-3.1 2,-0.2 5,-0.2 0.919 82.3 55.4 -58.2 -44.6 16.8 29.5 53.4 104 20 B L H > S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.925 111.7 41.2 -59.8 -48.2 16.4 31.5 56.6 105 21 B R H > S+ 0 0 13 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.833 114.6 52.1 -69.6 -35.6 18.6 34.4 55.5 106 22 B A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.922 111.5 47.2 -63.5 -47.7 17.1 34.4 52.0 107 23 B G H X S+ 0 0 2 -4,-3.1 4,-2.0 2,-0.2 -2,-0.2 0.885 111.5 51.3 -61.5 -42.7 13.6 34.5 53.4 108 24 B W H X S+ 0 0 12 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.936 110.0 48.7 -59.9 -45.6 14.6 37.4 55.8 109 25 B X H X S+ 0 0 3 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.887 107.6 55.2 -64.1 -42.0 16.1 39.4 52.9 110 26 B A H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.900 111.0 46.0 -51.8 -46.4 12.9 38.9 50.8 111 27 B Q H X S+ 0 0 10 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.895 110.4 51.6 -67.0 -41.2 10.9 40.3 53.7 112 28 B E H X S+ 0 0 1 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.930 113.4 46.9 -59.1 -44.6 13.3 43.3 54.2 113 29 B I H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.954 115.1 43.6 -61.5 -52.9 13.0 44.0 50.5 114 30 B L H < S+ 0 0 2 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.807 111.1 55.2 -64.9 -31.9 9.2 43.7 50.4 115 31 B Q H < S+ 0 0 57 -4,-2.4 3,-0.5 2,-0.2 -1,-0.2 0.934 117.0 36.3 -65.3 -46.1 8.7 45.7 53.6 116 32 B T H < S+ 0 0 40 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.1 0.935 130.2 29.0 -72.4 -49.5 10.7 48.6 52.2 117 33 B F S X S+ 0 0 1 -4,-3.0 4,-1.2 -5,-0.2 -1,-0.2 -0.104 75.9 151.4-108.1 28.3 9.6 48.6 48.6 118 34 B A T >4 S+ 0 0 20 -3,-0.5 3,-1.1 -4,-0.4 -1,-0.2 0.804 77.7 23.1 -16.3 -86.7 6.1 47.1 49.0 119 35 B S T 34 S+ 0 0 78 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.860 118.4 62.4 -58.7 -42.7 4.3 48.7 45.9 120 36 B D T 34 S+ 0 0 56 -6,-0.1 2,-0.4 -31,-0.0 -1,-0.2 0.466 90.1 76.8 -69.4 -11.3 7.4 49.3 43.8 121 37 B I << - 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0 0 28 -2,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.504 35.5-105.5 -81.0 162.0 -4.1 31.4 62.9 327 71 D P H > S+ 0 0 9 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.902 115.9 56.6 -62.2 -37.0 -2.9 34.9 63.3 328 72 D K H > S+ 0 0 160 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.958 112.7 38.8 -61.7 -51.3 -6.4 36.4 64.0 329 73 D E H > S+ 0 0 86 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.859 112.3 57.5 -67.9 -36.1 -7.2 34.1 66.9 330 74 D L H X S+ 0 0 2 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.954 109.7 44.3 -55.1 -53.1 -3.7 34.2 68.4 331 75 D K H X S+ 0 0 32 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.852 111.8 53.0 -63.2 -39.0 -3.8 38.0 68.7 332 76 D Q H X S+ 0 0 77 -4,-1.6 4,-3.6 -5,-0.2 -1,-0.2 0.902 105.6 52.4 -67.3 -44.3 -7.3 38.1 70.1 333 77 D R H X S+ 0 0 80 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.820 113.3 45.9 -59.6 -33.2 -6.5 35.6 72.9 334 78 D I H X S+ 0 0 0 -4,-1.3 4,-2.7 -5,-0.2 -2,-0.2 0.932 112.5 50.0 -72.2 -48.9 -3.6 37.8 73.8 335 79 D R H < S+ 0 0 101 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.919 104.8 59.4 -53.5 -48.1 -5.8 40.9 73.6 336 80 D D H < S+ 0 0 127 -4,-3.6 -1,-0.2 1,-0.2 -2,-0.2 0.921 112.3 38.1 -46.0 -55.6 -8.4 39.2 75.8 337 81 D L H < 0 0 94 -4,-1.3 -2,-0.2 1,-0.1 -1,-0.2 0.915 360.0 360.0 -64.4 -46.9 -5.9 38.9 78.7 338 82 D I < 0 0 101 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.927 360.0 360.0 -81.9 360.0 -4.2 42.3 78.2