==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 21-OCT-05 2C4P . COMPND 2 MOLECULE: UBIQUITIN-CONJUGATING ENZYME E2 D1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.B.DODD,R.J.READ . 299 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15651.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 16.1 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 22 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 0 0 0 0 2 0 1 1 2 0 2 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 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 1 2 0 1 2 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 1 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 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 -2 A R >> 0 0 150 0, 0.0 3,-1.5 0, 0.0 2,-1.3 0.000 360.0 360.0 360.0 -38.9 38.8 49.2 16.7 2 -1 A G T 34 - 0 0 57 1,-0.2 60,-0.0 2,-0.2 59,-0.0 -0.658 360.0 -50.0 80.0 -98.3 41.9 49.3 14.6 3 0 A S T 3> S+ 0 0 64 -2,-1.3 4,-0.9 3,-0.0 -1,-0.2 0.209 131.0 70.8-152.6 -0.7 40.6 48.5 11.1 4 1 A M H <> S+ 0 0 91 -3,-1.5 4,-2.8 2,-0.2 5,-0.2 0.935 97.4 42.0 -91.9 -56.6 38.6 45.5 11.9 5 2 A A H X S+ 0 0 0 -4,-1.2 4,-1.9 56,-0.3 -3,-0.1 0.897 115.7 57.8 -56.7 -35.7 35.6 46.7 13.9 6 3 A L H > S+ 0 0 50 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.907 107.5 42.5 -60.1 -46.9 35.7 49.5 11.3 7 4 A K H X S+ 0 0 124 -4,-0.9 4,-3.1 1,-0.2 5,-0.2 0.853 109.6 60.7 -68.1 -32.3 35.3 47.1 8.4 8 5 A R H X S+ 0 0 17 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.880 105.6 47.8 -59.3 -38.6 32.7 45.3 10.6 9 6 A I H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.970 109.9 50.0 -66.3 -55.4 30.8 48.6 10.5 10 7 A Q H X S+ 0 0 72 -4,-2.3 4,-3.4 1,-0.3 5,-0.3 0.915 113.5 46.8 -49.0 -48.2 31.1 49.0 6.7 11 8 A K H X S+ 0 0 36 -4,-3.1 4,-2.1 1,-0.2 5,-0.3 0.904 109.7 54.6 -60.2 -42.3 29.9 45.4 6.3 12 9 A E H < S+ 0 0 5 -4,-2.1 4,-0.5 -5,-0.2 -1,-0.2 0.806 116.5 38.4 -59.8 -33.1 27.1 46.2 8.8 13 10 A L H X S+ 0 0 53 -4,-2.1 4,-1.8 -3,-0.3 -2,-0.2 0.936 113.6 49.6 -84.7 -56.6 26.1 49.2 6.6 14 11 A S H < S+ 0 0 80 -4,-3.4 4,-0.2 1,-0.3 -3,-0.2 0.841 122.9 37.1 -54.2 -33.6 26.5 47.8 3.1 15 12 A D T >X S+ 0 0 37 -4,-2.1 4,-0.8 -5,-0.3 3,-0.7 0.753 103.5 73.6 -88.1 -26.1 24.5 44.8 4.2 16 13 A L T 34 S+ 0 0 13 -4,-0.5 3,-0.2 -5,-0.3 -2,-0.2 0.917 110.7 28.1 -50.7 -48.4 22.2 46.9 6.4 17 14 A Q T 3< S+ 0 0 60 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.360 90.7 93.6 -99.5 3.6 20.5 48.2 3.3 18 15 A R T <4 S+ 0 0 121 -3,-0.7 -1,-0.2 1,-0.3 -2,-0.1 0.901 112.1 20.7 -61.4 -37.8 20.9 45.4 0.8 19 16 A D S < S- 0 0 145 -4,-0.8 -1,-0.3 -3,-0.2 -4,-0.0 -0.776 98.5-150.6-128.9 85.2 17.5 44.4 2.1 20 17 A P - 0 0 81 0, 0.0 -3,-0.1 0, 0.0 5,-0.1 -0.389 15.3-130.6 -60.6 127.1 16.1 47.7 3.7 21 18 A P - 0 0 49 0, 0.0 4,-0.1 0, 0.0 -4,-0.1 0.538 23.6-146.8 -53.2 -10.9 13.6 47.3 6.7 22 19 A A S S+ 0 0 104 2,-0.2 3,-0.1 1,-0.2 0, 0.0 0.562 92.9 48.4 49.3 4.3 11.1 49.7 5.0 23 20 A H S S+ 0 0 76 1,-0.4 18,-0.6 16,-0.1 2,-0.3 0.511 109.1 42.2-138.8 -29.0 10.3 50.8 8.6 24 21 A C E -A 40 0A 13 16,-0.2 -1,-0.4 2,-0.0 2,-0.3 -0.804 59.5-170.5-121.1 164.2 13.6 51.4 10.4 25 22 A S E +A 39 0A 63 14,-1.6 14,-2.9 -2,-0.3 2,-0.3 -0.972 7.3 171.6-157.8 141.4 16.8 53.2 9.3 26 23 A A E +A 38 0A 18 -2,-0.3 12,-0.2 12,-0.3 30,-0.1 -0.991 11.7 143.0-149.8 149.1 20.2 53.6 10.7 27 24 A G E -A 37 0A 19 10,-2.1 10,-2.4 -2,-0.3 2,-0.2 -0.979 51.5 -63.0-173.8 170.7 23.5 55.0 9.5 28 25 A P E -A 36 0A 41 0, 0.0 2,-0.7 0, 0.0 8,-0.3 -0.494 45.1-131.4 -71.8 131.9 26.7 56.9 10.4 29 26 A V E > -A 32 0A 66 6,-2.6 3,-1.2 3,-0.5 6,-0.2 -0.748 68.3 -40.7 -84.6 118.3 26.1 60.5 11.5 30 27 A G T 3 S- 0 0 61 -2,-0.7 5,-0.0 1,-0.2 0, 0.0 -0.379 120.2 -23.2 66.1-139.5 28.5 62.7 9.6 31 28 A D T 3 S+ 0 0 172 -2,-0.1 2,-0.6 1,-0.1 -1,-0.2 0.008 111.1 100.9 -96.2 27.2 32.0 61.4 9.0 32 29 A D E X -A 29 0A 68 -3,-1.2 3,-1.1 3,-0.3 -3,-0.5 -0.885 42.4-179.2-119.6 102.9 31.9 59.0 12.0 33 30 A L E 3 S+ 0 0 39 -2,-0.6 -1,-0.1 1,-0.3 3,-0.1 0.584 88.9 56.0 -72.6 -9.1 31.3 55.3 11.2 34 31 A F E 3 S+ 0 0 34 1,-0.2 25,-3.2 -5,-0.1 2,-0.6 0.518 101.0 62.8 -97.7 -9.5 31.5 54.7 15.0 35 32 A H E < S+ B 0 58A 61 -3,-1.1 -6,-2.6 23,-0.2 -3,-0.3 -0.948 73.0 170.4-120.0 106.4 28.8 57.2 15.8 36 33 A W E -AB 28 57A 0 21,-4.2 21,-1.8 -2,-0.6 2,-0.3 -0.637 21.0-155.4-113.2 171.4 25.4 56.2 14.2 37 34 A Q E -AB 27 56A 64 -10,-2.4 -10,-2.1 19,-0.3 2,-0.3 -0.989 12.4-170.5-145.7 144.3 21.8 57.3 14.4 38 35 A A E -AB 26 55A 0 17,-3.0 17,-2.7 -2,-0.3 2,-0.4 -0.872 12.9-148.2-135.2 169.1 18.7 55.4 13.7 39 36 A T E -AB 25 54A 29 -14,-2.9 -14,-1.6 -2,-0.3 2,-0.4 -0.977 10.6-166.8-143.2 125.4 14.9 55.9 13.3 40 37 A I E -AB 24 53A 5 13,-2.1 13,-2.2 -2,-0.4 2,-0.4 -0.889 11.8-144.5-114.7 142.2 12.2 53.5 14.2 41 38 A M E - B 0 52A 80 -18,-0.6 11,-0.2 -2,-0.4 8,-0.1 -0.891 32.2-105.8-105.2 134.1 8.5 53.7 13.1 42 39 A G - 0 0 1 9,-1.5 8,-0.8 -2,-0.4 4,-0.1 -0.391 43.4-101.8 -60.0 123.3 5.9 52.6 15.6 43 40 A P > - 0 0 24 0, 0.0 3,-3.5 0, 0.0 6,-0.2 -0.263 33.5-121.3 -50.1 121.4 4.5 49.2 14.4 44 41 A P T 3 S+ 0 0 70 0, 0.0 5,-0.1 0, 0.0 -2,-0.1 0.681 111.5 47.3 -35.0 -34.4 1.1 50.2 12.9 45 42 A D T 3 S+ 0 0 164 3,-0.1 2,-0.2 4,-0.0 -3,-0.0 0.155 100.8 90.1-100.6 20.4 -0.8 47.9 15.3 46 43 A S S X S- 0 0 14 -3,-3.5 3,-1.7 -4,-0.1 68,-0.1 -0.731 88.5-107.9-115.6 165.4 1.0 49.2 18.4 47 44 A A T 3 S+ 0 0 17 1,-0.3 98,-0.2 -2,-0.2 -5,-0.1 0.768 118.4 54.0 -58.4 -27.9 0.5 51.9 20.9 48 45 A Y T > S+ 0 0 2 -5,-0.1 3,-1.1 -7,-0.1 -6,-0.4 0.055 80.3 141.9 -97.9 26.2 3.4 53.8 19.4 49 46 A Q T < + 0 0 112 -3,-1.7 3,-0.1 1,-0.2 -8,-0.0 -0.314 62.4 21.3 -71.9 152.0 2.2 53.8 15.8 50 47 A G T 3 S+ 0 0 48 -8,-0.8 -1,-0.2 1,-0.3 2,-0.2 0.362 99.0 121.2 76.9 -5.5 2.6 56.8 13.5 51 48 A G < - 0 0 0 -3,-1.1 -9,-1.5 99,-0.1 2,-0.5 -0.606 56.9-139.8 -95.4 153.1 5.5 58.0 15.7 52 49 A V E -B 41 0A 54 97,-3.0 2,-0.5 93,-0.3 -11,-0.2 -0.948 18.1-168.7-112.7 121.6 9.1 58.7 14.8 53 50 A F E -B 40 0A 0 -13,-2.2 -13,-2.1 -2,-0.5 2,-0.4 -0.938 8.9-148.6-114.4 127.5 11.7 57.7 17.3 54 51 A F E -B 39 0A 92 -2,-0.5 19,-2.8 -15,-0.2 20,-1.2 -0.782 13.7-170.8 -97.9 135.4 15.4 58.7 17.1 55 52 A L E -BC 38 72A 15 -17,-2.7 -17,-3.0 -2,-0.4 2,-0.6 -0.948 14.3-147.0-124.8 144.4 18.2 56.5 18.3 56 53 A T E -BC 37 71A 28 15,-2.1 15,-1.6 -2,-0.4 2,-0.5 -0.949 15.4-161.9-113.8 117.1 21.9 57.2 18.8 57 54 A V E -BC 36 70A 3 -21,-1.8 -21,-4.2 -2,-0.6 2,-0.5 -0.882 5.2-170.2-104.9 124.4 24.2 54.2 18.2 58 55 A H E -BC 35 69A 65 11,-3.2 11,-3.3 -2,-0.5 -23,-0.2 -0.951 16.3-140.8-112.6 121.9 27.8 54.3 19.5 59 56 A F - 0 0 14 -25,-3.2 2,-0.2 -2,-0.5 -25,-0.0 -0.691 16.3-124.5 -88.2 131.0 30.1 51.5 18.3 60 57 A P > - 0 0 15 0, 0.0 3,-2.8 0, 0.0 6,-0.1 -0.486 18.2-123.9 -71.7 137.7 32.5 50.0 20.8 61 58 A T T 3 S+ 0 0 87 1,-0.3 -56,-0.3 -2,-0.2 -55,-0.1 0.775 113.7 52.5 -50.2 -28.3 36.2 50.1 19.8 62 59 A D T > S+ 0 0 80 -57,-0.1 3,-1.3 2,-0.1 -1,-0.3 0.284 96.6 172.4 -94.9 10.5 36.2 46.3 20.3 63 60 A Y T < + 0 0 1 -3,-2.8 -55,-0.1 1,-0.3 -54,-0.1 -0.186 50.2 32.3 -58.8 155.3 33.2 45.6 18.1 64 61 A P T 3 S+ 0 0 2 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.981 116.7 60.5 -84.0 6.4 31.7 43.3 17.0 65 62 A F S < S+ 0 0 68 -3,-1.3 -2,-0.2 -5,-0.1 34,-0.1 0.860 107.5 45.0 -60.1 -38.2 32.6 41.4 20.1 66 63 A K S S- 0 0 87 -4,-0.2 27,-0.1 -6,-0.1 31,-0.1 -0.715 97.8 -97.3-104.7 158.6 30.9 43.7 22.5 67 64 A P - 0 0 3 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.286 41.2-100.0 -71.9 159.9 27.4 45.2 22.0 68 65 A P - 0 0 5 0, 0.0 2,-1.0 0, 0.0 -9,-0.2 -0.538 28.6-119.4 -81.0 144.4 26.7 48.7 20.6 69 66 A K E +C 58 0A 99 -11,-3.3 -11,-3.2 -2,-0.2 2,-0.4 -0.732 44.6 170.6 -85.7 101.3 25.9 51.6 22.8 70 67 A I E -C 57 0A 17 -2,-1.0 17,-0.6 -13,-0.2 2,-0.3 -0.917 12.7-176.2-119.4 143.6 22.4 52.8 21.8 71 68 A A E -CD 56 86A 15 -15,-1.6 -15,-2.1 -2,-0.4 2,-0.8 -0.954 29.3-118.2-134.4 152.3 20.1 55.3 23.4 72 69 A F E -C 55 0A 5 13,-3.4 -17,-0.2 -2,-0.3 4,-0.1 -0.815 25.4-179.3 -93.3 109.7 16.5 56.5 22.8 73 70 A T + 0 0 79 -19,-2.8 2,-0.4 -2,-0.8 -18,-0.2 0.807 64.4 74.6 -78.0 -30.7 16.6 60.2 21.9 74 71 A T S S- 0 0 15 -20,-1.2 75,-0.1 11,-0.1 -21,-0.1 -0.711 93.5-109.9 -88.6 131.2 12.8 60.4 21.5 75 72 A K + 0 0 103 -2,-0.4 2,-0.3 73,-0.3 73,-0.1 -0.310 43.8 179.0 -57.0 135.8 10.6 60.3 24.6 76 73 A I - 0 0 12 6,-0.2 2,-1.7 -4,-0.1 9,-0.1 -0.989 34.5-132.1-147.4 134.6 8.7 57.1 24.8 77 74 A Y + 0 0 25 -2,-0.3 64,-0.2 64,-0.2 5,-0.1 -0.612 58.6 134.8 -85.9 80.8 6.3 55.7 27.3 78 75 A H > - 0 0 2 -2,-1.7 3,-1.2 3,-0.4 49,-0.1 -0.987 56.4-139.7-132.5 140.0 7.8 52.3 27.7 79 76 A P T 3 S+ 0 0 0 0, 0.0 43,-2.5 0, 0.0 44,-1.2 0.763 104.9 51.8 -68.0 -27.0 8.6 50.2 30.9 80 77 A N T 3 S+ 0 0 0 41,-0.2 8,-2.1 42,-0.2 2,-0.3 0.145 109.4 58.8 -95.9 18.5 11.9 49.0 29.6 81 78 A I B < S-E 87 0B 2 -3,-1.2 -3,-0.4 6,-0.2 6,-0.2 -0.995 70.3-156.7-147.5 141.3 13.1 52.5 28.7 82 79 A N > - 0 0 38 4,-1.3 3,-1.8 -2,-0.3 -6,-0.2 -0.353 39.7 -74.9-112.8-168.4 13.5 55.6 30.9 83 80 A S T 3 S+ 0 0 113 1,-0.3 -8,-0.0 2,-0.1 40,-0.0 0.600 126.1 48.5 -61.4 -17.6 13.6 59.4 31.0 84 81 A N T 3 S- 0 0 102 2,-0.1 -1,-0.3 -9,-0.0 3,-0.1 0.266 115.9-109.8-107.8 11.2 17.1 59.5 29.4 85 82 A G < + 0 0 6 -3,-1.8 -13,-3.4 1,-0.3 -2,-0.1 0.514 62.9 156.4 75.2 5.8 16.3 57.1 26.6 86 83 A S B -D 71 0A 54 -15,-0.2 -4,-1.3 -13,-0.1 2,-0.4 -0.440 31.0-147.4 -64.2 137.4 18.5 54.4 28.1 87 84 A I B -E 81 0B 20 -17,-0.6 2,-0.8 -6,-0.2 -6,-0.2 -0.914 10.2-158.1-112.6 131.5 17.2 51.0 26.8 88 85 A C + 0 0 35 -8,-2.1 2,-0.4 -2,-0.4 3,-0.1 -0.796 28.5 155.9-111.7 91.6 17.4 47.7 28.8 89 86 A L > - 0 0 20 -2,-0.8 3,-1.8 1,-0.1 5,-0.4 -0.932 46.1-130.3-116.1 138.5 17.3 44.8 26.4 90 87 A D G > >S+ 0 0 64 -2,-0.4 5,-3.2 1,-0.3 3,-1.5 0.891 108.3 52.9 -49.6 -48.8 18.6 41.4 27.1 91 88 A I G 3 5S+ 0 0 20 1,-0.3 -1,-0.3 3,-0.2 6,-0.2 0.547 90.1 79.9 -69.6 -6.0 20.6 41.2 23.9 92 89 A L G < 5S- 0 0 21 -3,-1.8 -1,-0.3 4,-0.1 -2,-0.2 0.596 130.3 -36.8 -78.6 -8.9 22.2 44.5 24.6 93 90 A R T X 5S+ 0 0 155 -3,-1.5 3,-0.7 -4,-0.2 -2,-0.1 0.083 133.3 66.7-176.7 -44.1 24.7 42.8 27.0 94 91 A S T 3 5S+ 0 0 100 -4,-0.5 -3,-0.2 -5,-0.4 -4,-0.1 0.897 124.2 11.4 -64.2 -39.8 23.0 39.9 28.9 95 92 A Q T 3 - 0 0 1 -2,-0.3 3,-0.8 -6,-0.2 -31,-0.1 -0.983 36.0-121.7-135.5 144.3 26.6 37.7 20.5 98 95 A P T 3 S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 -32,-0.1 0.813 111.2 66.2 -52.8 -29.9 29.0 38.9 17.8 99 96 A A T 3 S+ 0 0 5 95,-0.3 96,-0.1 -34,-0.1 97,-0.0 0.929 82.0 88.1 -57.5 -51.5 26.7 37.3 15.3 100 97 A L < - 0 0 12 -3,-0.8 2,-0.2 94,-0.3 96,-0.0 -0.123 69.6-146.0 -52.4 145.9 23.8 39.7 16.0 101 98 A T > - 0 0 22 1,-0.1 4,-2.2 -89,-0.0 5,-0.2 -0.714 27.6-109.0-113.7 164.9 23.8 42.9 13.9 102 99 A V H > S+ 0 0 3 -2,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.903 123.0 57.8 -56.8 -39.7 22.7 46.5 14.6 103 100 A S H >> S+ 0 0 26 1,-0.2 4,-1.6 2,-0.2 3,-0.8 0.935 103.5 51.4 -53.8 -51.8 19.8 45.7 12.2 104 101 A K H 3> S+ 0 0 106 1,-0.3 4,-2.3 2,-0.2 3,-0.3 0.943 105.2 55.3 -50.6 -54.3 18.8 42.8 14.5 105 102 A V H 3X S+ 0 0 7 -4,-2.2 4,-2.2 1,-0.2 -1,-0.3 0.792 103.4 58.5 -51.3 -31.6 18.8 45.1 17.5 106 103 A L H - 0 0 64 1,-0.2 3,-0.7 3,-0.1 10,-0.0 -0.859 30.3-178.7-109.2 95.3 9.1 43.1 29.6 118 115 A P T 3 S+ 0 0 32 0, 0.0 -1,-0.2 0, 0.0 9,-0.1 0.906 78.9 49.9 -62.4 -49.4 7.2 44.0 32.8 119 116 A D T 3 S+ 0 0 148 1,-0.3 9,-0.0 9,-0.0 -2,-0.0 0.528 107.5 60.8 -70.1 -4.3 9.1 42.1 35.5 120 117 A D S < S+ 0 0 64 -3,-0.7 -1,-0.3 7,-0.0 -3,-0.1 -0.214 82.3 169.0-111.9 38.9 12.2 43.7 34.0 121 118 A P - 0 0 51 0, 0.0 -41,-0.2 0, 0.0 -2,-0.0 -0.091 33.0-179.1 -58.2 153.9 11.2 47.4 34.6 122 119 A L S S+ 0 0 65 -43,-2.5 -42,-0.2 -41,-0.2 -36,-0.1 0.268 97.1 36.2-119.5 -19.6 13.5 50.4 34.2 123 120 A V S >> S- 0 0 49 -44,-1.2 4,-1.7 1,-0.1 3,-0.7 -0.786 79.4-162.8-140.3 88.6 10.5 52.5 35.3 124 121 A P H 3> S+ 0 0 91 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.758 85.2 52.2 -40.0 -44.3 8.5 50.5 38.0 125 122 A D H 3> S+ 0 0 119 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.891 111.8 43.8 -69.3 -40.8 5.3 52.5 37.7 126 123 A I H <> S+ 0 0 7 -3,-0.7 4,-1.5 2,-0.2 -1,-0.2 0.771 115.7 50.4 -74.4 -24.8 4.9 52.2 33.9 127 124 A A H X S+ 0 0 6 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.804 110.2 50.2 -79.4 -30.8 5.8 48.5 34.3 128 125 A Q H X S+ 0 0 122 -4,-1.8 4,-2.3 -5,-0.2 5,-0.3 0.830 109.4 50.7 -75.2 -32.9 3.2 48.1 37.0 129 126 A I H X S+ 0 0 21 -4,-1.8 4,-3.0 3,-0.2 8,-0.3 0.904 109.5 51.3 -70.7 -42.0 0.5 49.8 34.9 130 127 A Y H < S+ 0 0 15 -4,-1.5 4,-0.2 2,-0.2 -2,-0.2 0.990 117.2 37.7 -55.9 -64.0 1.3 47.5 31.9 131 128 A K H < S+ 0 0 144 -4,-1.9 3,-0.3 1,-0.2 -2,-0.2 0.943 124.8 38.5 -53.2 -59.1 1.0 44.3 34.0 132 129 A S H < S- 0 0 92 -4,-2.3 -1,-0.2 1,-0.2 2,-0.2 0.872 140.8 -1.2 -63.2 -39.1 -1.9 45.4 36.2 133 130 A D X + 0 0 43 -4,-3.0 4,-1.2 -5,-0.3 3,-0.5 -0.674 53.9 172.6-159.7 98.3 -3.7 47.2 33.4 134 131 A K H > S+ 0 0 94 -3,-0.3 4,-3.2 1,-0.2 5,-0.1 0.775 77.7 76.0 -75.7 -26.3 -2.4 47.5 29.8 135 132 A E H 4 S+ 0 0 136 1,-0.2 -1,-0.2 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79.6 40.8 32.2 3.9 239 86 B L > - 0 0 18 -2,-1.1 4,-0.6 1,-0.1 5,-0.3 -0.930 41.2-150.1-116.3 131.4 41.9 35.0 6.3 240 87 B D H >>>S+ 0 0 88 -2,-0.4 4,-4.3 1,-0.2 3,-1.5 0.924 98.5 54.1 -61.2 -48.0 43.5 38.3 5.4 241 88 B I H 345S+ 0 0 5 3,-0.3 5,-0.5 1,-0.3 -1,-0.2 0.794 99.6 63.9 -58.3 -29.5 45.4 38.6 8.7 242 89 B L H 345S- 0 0 31 -3,-0.3 -1,-0.3 3,-0.1 -2,-0.2 0.725 132.5 -4.1 -69.9 -21.4 47.0 35.2 8.1 243 90 B R H <<5S+ 0 0 95 -3,-1.5 -2,-0.2 -4,-0.6 -3,-0.2 0.504 138.3 44.6-141.3 -26.8 48.8 36.3 5.0 244 91 B S T <5S+ 0 0 102 -4,-4.3 -3,-0.3 -5,-0.3 -4,-0.1 0.903 125.7 20.0 -91.5 -50.0 47.7 39.9 4.2 245 92 B Q S - 0 0 42 -31,-0.1 3,-1.1 -6,-0.1 -31,-0.1 -0.983 50.5-110.6-140.0 143.8 52.3 41.6 11.8 248 95 B P T 3 S+ 0 0 69 0, 0.0 -32,-0.1 0, 0.0 -2,-0.1 0.771 115.0 66.1 -44.7 -29.6 54.4 40.4 14.8 249 96 B A T 3 S+ 0 0 73 2,-0.1 -3,-0.1 -34,-0.1 -34,-0.0 0.932 80.4 90.7 -59.1 -51.8 52.0 42.3 17.0 250 97 B L < - 0 0 13 -3,-1.1 2,-0.3 -5,-0.2 3,-0.1 -0.078 66.5-152.2 -46.4 142.7 49.0 40.0 16.2 251 98 B T > - 0 0 22 1,-0.1 4,-2.6 -34,-0.0 3,-0.3 -0.866 25.3-113.3-124.5 157.3 48.6 37.0 18.5 252 99 B V H > S+ 0 0 11 -2,-0.3 4,-1.4 1,-0.3 -1,-0.1 0.945 118.0 52.8 -49.0 -56.1 47.1 33.6 18.2 253 100 B S H > S+ 0 0 32 1,-0.2 4,-0.9 -91,-0.2 3,-0.4 0.864 110.5 49.9 -47.5 -41.4 44.3 34.3 20.6 254 101 B K H >> S+ 0 0 97 -3,-0.3 3,-1.7 1,-0.2 4,-1.5 0.958 103.3 57.5 -62.0 -53.8 43.5 37.4 18.5 255 102 B V H 3X S+ 0 0 5 -4,-2.6 4,-1.4 1,-0.3 -1,-0.2 0.725 102.7 57.2 -51.3 -25.0 43.5 35.4 15.3 256 103 B L H 3X S+ 0 0 17 -4,-1.4 4,-2.2 -3,-0.4 -1,-0.3 0.812 100.9 54.6 -78.3 -31.5 40.8 33.2 16.8 257 104 B L H X S+ 0 0 10 -4,-1.6 4,-2.7 2,-0.2 3,-0.7 0.942 109.8 54.6 -72.8 -49.7 33.7 36.9 13.5 262 109 B L H 3< S+ 0 0 13 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.829 99.5 64.6 -51.9 -35.9 34.4 35.6 10.0 263 110 B L H 3< S+ 0 0 5 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.941 112.3 32.2 -55.9 -49.4 32.1 32.7 10.8 264 111 B C H << S+ 0 0 32 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.2 0.950 132.5 29.3 -75.9 -49.3 29.1 35.1 11.2 265 112 B D S < S+ 0 0 36 -4,-2.7 -1,-0.2 2,-0.0 -2,-0.1 -0.740 78.2 173.4-115.6 85.5 30.1 37.7 8.6 266 113 B P - 0 0 9 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.333 35.0-112.1 -82.3 168.9 32.2 36.1 5.8 267 114 B N > - 0 0 45 3,-0.2 3,-0.5 1,-0.1 10,-0.0 -0.894 24.8-173.8-108.3 109.6 33.3 37.9 2.7 268 115 B P T 3 S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 9,-0.1 0.782 77.0 70.7 -69.7 -28.3 31.6 36.6 -0.5 269 116 B D T 3 S+ 0 0 129 1,-0.3 8,-0.0 12,-0.0 -2,-0.0 0.849 107.9 36.5 -59.9 -35.2 33.7 38.7 -2.9 270 117 B D S < S+ 0 0 91 -3,-0.5 -1,-0.3 -32,-0.1 -3,-0.2 -0.593 88.8 170.5-119.6 71.4 36.8 36.7 -2.2 271 118 B P - 0 0 46 0, 0.0 -41,-0.2 0, 0.0 4,-0.0 -0.322 35.8-162.1 -81.3 161.2 35.4 33.1 -1.7 272 119 B L S S+ 0 0 64 -43,-3.7 -42,-0.2 1,-0.2 -35,-0.0 0.418 94.8 44.1-113.5 -14.2 37.3 29.8 -1.4 273 120 B V S > S- 0 0 33 -44,-1.3 4,-2.0 1,-0.2 5,-0.3 -0.847 77.7-158.5-135.7 94.5 34.1 27.9 -2.3 274 121 B P H > S+ 0 0 91 0, 0.0 4,-3.0 0, 0.0 3,-0.2 0.848 87.8 39.9 -38.1 -62.5 32.3 29.6 -5.3 275 122 B D H > S+ 0 0 112 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.869 112.6 54.6 -65.3 -37.4 28.8 28.2 -4.8 276 123 B I H > S+ 0 0 25 -3,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.859 116.4 40.8 -63.2 -32.0 28.8 28.5 -1.0 277 124 B A H X S+ 0 0 3 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.854 112.0 54.9 -81.3 -37.6 29.7 32.2 -1.6 278 125 B Q H X S+ 0 0 134 -4,-3.0 4,-2.0 -5,-0.3 5,-0.3 0.869 113.2 42.7 -63.1 -37.0 27.3 32.5 -4.5 279 126 B I H X S+ 0 0 36 -4,-2.8 4,-3.6 2,-0.2 8,-0.3 0.914 111.6 54.2 -75.3 -43.5 24.4 31.3 -2.3 280 127 B Y H < S+ 0 0 12 -4,-1.6 -2,-0.2 -5,-0.3 -3,-0.2 0.961 115.7 39.1 -52.6 -56.6 25.5 33.4 0.7 281 128 B K H < S+ 0 0 111 -4,-2.6 3,-0.2 1,-0.2 -2,-0.2 0.976 125.7 35.0 -58.7 -61.8 25.5 36.6 -1.4 282 129 B S H < S+ 0 0 81 -4,-2.0 2,-0.3 -5,-0.2 -2,-0.2 0.897 136.6 12.1 -62.7 -43.6 22.4 35.9 -3.5 283 130 B D X + 0 0 80 -4,-3.6 4,-0.9 -5,-0.3 -1,-0.2 -0.897 53.5 169.2-142.8 112.1 20.5 34.1 -0.7 284 131 B K H > S+ 0 0 103 -2,-0.3 4,-2.4 -3,-0.2 5,-0.4 0.818 78.2 66.9 -88.7 -33.0 21.4 34.0 3.0 285 132 B E H 4 S+ 0 0 66 1,-0.2 -1,-0.2 2,-0.2 -5,-0.1 0.729 109.3 42.1 -59.0 -20.9 18.2 32.5 4.3 286 133 B K H > S+ 0 0 117 -7,-0.2 4,-0.7 2,-0.1 3,-0.3 0.811 110.3 57.6 -91.5 -38.7 19.2 29.4 2.4 287 134 B Y H >X S+ 0 0 11 -4,-0.9 4,-1.7 -8,-0.3 3,-1.3 0.952 111.9 37.9 -56.7 -58.0 22.9 29.6 3.5 288 135 B N H 3X S+ 0 0 58 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.567 107.7 68.5 -73.1 -8.1 22.3 29.5 7.2 289 136 B R H 34 S+ 0 0 30 -5,-0.4 4,-0.3 -3,-0.3 -1,-0.2 0.651 113.3 28.3 -82.9 -16.7 19.6 27.0 6.7 290 137 B H H